6PS7
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![BU of 6ps7 by Molmil](/molmil-images/mine/6ps7) | XFEL A2aR structure by ligand exchange from LUF5843 to ZM241385. | Descriptor: | (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, (2S)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, 4-{2-[(7-amino-2-furan-2-yl[1,2,4]triazolo[1,5-a][1,3,5]triazin-5-yl)amino]ethyl}phenol, ... | Authors: | Ishchenko, A, Stauch, B, Han, G.W, Batyuk, A, Shiriaeva, A, Li, C, Zatsepin, N.A, Weierstall, U, Liu, W, Nango, E, Nakane, T, Tanaka, R, Tono, K, Joti, Y, Iwata, S, Moraes, I, Gati, C, Cherezov, C. | Deposit date: | 2019-07-12 | Release date: | 2019-11-13 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (1.85 Å) | Cite: | Toward G protein-coupled receptor structure-based drug design using X-ray lasers. Iucrj, 6, 2019
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7NEV
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![BU of 7nev by Molmil](/molmil-images/mine/7nev) | Structure of the hemiacetal complex between the SARS-CoV-2 Main Protease and Leupeptin | Descriptor: | 3C-like proteinase, CHLORIDE ION, DIMETHYL SULFOXIDE, ... | Authors: | Guenther, S, Reinke, P.Y.A, Oberthuer, D, Yefanov, O, Gelisio, L, Ginn, H.M, Lieske, J, Domaracky, M, Brehm, W, Rahmani Mashhour, A, White, T.A, Knoska, J, Pena Esperanza, G, Koua, F, Tolstikova, A, Groessler, M, Fischer, P, Hennicke, V, Fleckenstein, H, Trost, F, Galchenkova, M, Gevorkov, Y, Li, C, Awel, S, Xavier, P.L, Ullah, N, Andaleeb, H, Falke, S, Alves Franca, B, Schwinzer, M, Brognaro, H, Werner, N, Perbandt, M, Tidow, H, Seychell, B, Beck, T, Meier, S, Zaitsev-Doyle, J.J, Rogers, C, Gieseler, H, Melo, D, Monteiro, D.C.F, Dunkel, I, Lane, T.J, Peck, A, Saouane, S, Hakanpaeae, J, Meyer, J, Noei, H, Gribbon, P, Ellinger, B, Kuzikov, M, Wolf, M, Zhang, L, Ehrt, C, Pletzer-Zelgert, J, Wollenhaupt, J, Feiler, C, Weiss, M, Schluenzen, F, Schulz, E.C, Mehrabi, P, Norton-Baker, B, Schmidt, C, Lorenzen, K, Schubert, R, Sun, X, Han, H, Chari, A, Fernandez Garcia, Y, Turk, D, Hilgenfeld, R, Rarey, M, Zaliani, A, Chapman, H.N, Pearson, A, Betzel, C, Meents, A. | Deposit date: | 2021-02-05 | Release date: | 2021-03-03 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | X-ray screening identifies active site and allosteric inhibitors of SARS-CoV-2 main protease. Science, 372, 2021
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4F5B
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![BU of 4f5b by Molmil](/molmil-images/mine/4f5b) | Triple mutant Src SH2 domain bound to phosphotyrosine | Descriptor: | O-PHOSPHOTYROSINE, Proto-oncogene tyrosine-protein kinase Src | Authors: | Kaneko, T, Huang, H, Cao, X, Li, C, Voss, C, Sidhu, S.S, Li, S.S. | Deposit date: | 2012-05-12 | Release date: | 2012-10-03 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (1.57 Å) | Cite: | Superbinder SH2 Domains Act as Antagonists of Cell Signaling. Sci.Signal., 5, 2012
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4F5A
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![BU of 4f5a by Molmil](/molmil-images/mine/4f5a) | Triple mutant Src SH2 domain bound to phosphate ion | Descriptor: | PHOSPHATE ION, Proto-oncogene tyrosine-protein kinase Src | Authors: | Kaneko, T, Huang, H, Cao, X, Li, C, Voss, C, Sidhu, S.S, Li, S.S. | Deposit date: | 2012-05-12 | Release date: | 2012-10-03 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Superbinder SH2 Domains Act as Antagonists of Cell Signaling. Sci.Signal., 5, 2012
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4F59
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![BU of 4f59 by Molmil](/molmil-images/mine/4f59) | Triple mutant Src SH2 domain | Descriptor: | Proto-oncogene tyrosine-protein kinase Src | Authors: | Kaneko, T, Huang, H, Cao, X, Li, C, Voss, C, Sidhu, S.S, Li, S.S. | Deposit date: | 2012-05-12 | Release date: | 2012-10-03 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (1.71 Å) | Cite: | Superbinder SH2 Domains Act as Antagonists of Cell Signaling. Sci.Signal., 5, 2012
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4J4R
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![BU of 4j4r by Molmil](/molmil-images/mine/4j4r) | Hexameric SFTSVN | Descriptor: | Nucleocapsid protein | Authors: | Jiao, L, Ouyang, S, Liang, M, Niu, F, Shaw, N, Wu, W, Ding, W, Jin, C, Zhu, Y, Zhang, F, Wang, T, Li, C, Zuo, X, Luan, C.H, Li, D, Liu, Z.J. | Deposit date: | 2013-02-07 | Release date: | 2013-05-22 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Structure of severe Fever with thrombocytopenia syndrome virus nucleocapsid protein in complex with suramin reveals therapeutic potential J.Virol., 87, 2013
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4J4V
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![BU of 4j4v by Molmil](/molmil-images/mine/4j4v) | Pentameric SFTSVN with suramin | Descriptor: | 8,8'-[CARBONYLBIS[IMINO-3,1-PHENYLENECARBONYLIMINO(4-METHYL-3,1-PHENYLENE)CARBONYLIMINO]]BIS-1,3,5-NAPHTHALENETRISULFON IC ACID, Nucleocapsid protein | Authors: | Jiao, L, Ouyang, S, Liang, M, Niu, F, Shaw, N, Wu, W, Ding, W, Jin, C, Zhu, Y, Zhang, F, Wang, T, Li, C, Zuo, X, Luan, C.H, Li, D, Liu, Z.J. | Deposit date: | 2013-02-07 | Release date: | 2013-05-22 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (2.303 Å) | Cite: | Structure of severe Fever with thrombocytopenia syndrome virus nucleocapsid protein in complex with suramin reveals therapeutic potential J.Virol., 87, 2013
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4J4S
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![BU of 4j4s by Molmil](/molmil-images/mine/4j4s) | Triple mutant SFTAVN | Descriptor: | Nucleocapsid protein, SODIUM ION | Authors: | Jiao, L, Ouyang, S, Liang, M, Niu, F, Shaw, N, Wu, W, Ding, W, Jin, C, Zhu, Y, Zhang, F, Wang, T, Li, C, Zuo, X, Luan, C.H, Li, D, Liu, Z.J. | Deposit date: | 2013-02-07 | Release date: | 2013-05-22 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (2.442 Å) | Cite: | Structure of severe Fever with thrombocytopenia syndrome virus nucleocapsid protein in complex with suramin reveals therapeutic potential J.Virol., 87, 2013
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4J4X
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![BU of 4j4x by Molmil](/molmil-images/mine/4j4x) | Crystal structure of GraVN | Descriptor: | NP protein | Authors: | Jiao, L, Ouyang, S, Liang, M, Niu, F, Shaw, N, Wu, W, Ding, W, Jin, C, Zhu, Y, Zhang, F, Wang, T, Li, C, Zuo, X, Luan, C.H, Li, D, Liu, Z.J. | Deposit date: | 2013-02-07 | Release date: | 2013-05-22 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (2.51 Å) | Cite: | Structure of severe Fever with thrombocytopenia syndrome virus nucleocapsid protein in complex with suramin reveals therapeutic potential J.Virol., 87, 2013
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4J4W
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![BU of 4j4w by Molmil](/molmil-images/mine/4j4w) | Crystal structure of BueVN | Descriptor: | Nucleocapsid | Authors: | Jiao, L, Ouyang, S, Liang, M, Niu, F, Shaw, N, Wu, W, Ding, W, Jin, C, Zhu, Y, Zhang, F, Wang, T, Li, C, Zuo, X, Luan, C.H, Li, D, Liu, Z.J. | Deposit date: | 2013-02-07 | Release date: | 2013-05-22 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (2.661 Å) | Cite: | Structure of severe Fever with thrombocytopenia syndrome virus nucleocapsid protein in complex with suramin reveals therapeutic potential J.Virol., 87, 2013
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4J4Y
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![BU of 4j4y by Molmil](/molmil-images/mine/4j4y) | Triple mutant GraVN | Descriptor: | NP protein | Authors: | Jiao, L, Ouyang, S, Liang, M, Niu, F, Shaw, N, Wu, W, Ding, W, Jin, C, Zhu, Y, Zhang, F, Wang, T, Li, C, Zuo, X, Luan, C.H, Li, D, Liu, Z.J. | Deposit date: | 2013-02-07 | Release date: | 2013-06-12 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (2.45 Å) | Cite: | Structure of severe Fever with thrombocytopenia syndrome virus nucleocapsid protein in complex with suramin reveals therapeutic potential J.Virol., 87, 2013
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4J4U
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![BU of 4j4u by Molmil](/molmil-images/mine/4j4u) | Pentamer SFTSVN | Descriptor: | Nucleocapsid protein | Authors: | Jiao, L, Ouyang, S, Liang, M, Niu, F, Shaw, N, Wu, W, Ding, W, Jin, C, Zhu, Y, Zhang, F, Wang, T, Li, C, Zuo, X, Luan, C.H, Li, D, Liu, Z.J. | Deposit date: | 2013-02-07 | Release date: | 2013-05-22 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (2.803 Å) | Cite: | Structure of severe Fever with thrombocytopenia syndrome virus nucleocapsid protein in complex with suramin reveals therapeutic potential J.Virol., 87, 2013
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6PNY
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![BU of 6pny by Molmil](/molmil-images/mine/6pny) | X-ray Structure of Flpp3 | Descriptor: | Flpp3 | Authors: | Zook, J.D, Shekhar, M, Hansen, D.T, Conrad, C, Grant, T.D, Gupta, C, White, T, Barty, A, Basu, S, Zhao, Y, Zatsepin, N.A, Ishchenko, A, Batyuk, A, Gati, C, Li, C, Galli, L, Coe, J, Hunter, M, Liang, M, Weierstall, U, Nelson, G, James, D, Stauch, B, Craciunescu, F, Thifault, D, Liu, W, Cherezov, V, Singharoy, A, Fromme, P. | Deposit date: | 2019-07-03 | Release date: | 2020-02-26 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (1.65 Å) | Cite: | XFEL and NMR Structures of Francisella Lipoprotein Reveal Conformational Space of Drug Target against Tularemia. Structure, 28, 2020
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2B1I
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![BU of 2b1i by Molmil](/molmil-images/mine/2b1i) | crystal structures of transition state analogue inhibitors of inosine monophosphate cyclohydrolase | Descriptor: | Bifunctional purine biosynthesis protein PURH, POTASSIUM ION, [3,4-DIHYDROXY-5R-(2,2,4-TRIOXO-1,2R,3S,4R-TETRAHYDRO-2L6-IMIDAZO[4,5-C][1,2,6]THIADIAZIN-7-YL)TETRAHYDROFURAN-2-YL]METHYL DIHYDROGEN PHOSPHATE | Authors: | Xu, L, Chong, Y, Hwang, I, D'Onofrio, A, Amore, K, Beardsley, G.P, Li, C, Olson, A.J, Boger, D.L, Wilson, I.A. | Deposit date: | 2005-09-15 | Release date: | 2006-11-21 | Last modified: | 2023-08-23 | Method: | X-RAY DIFFRACTION (2.02 Å) | Cite: | Structure-based Design, Synthesis, Evaluation, and Crystal Structures of Transition State Analogue Inhibitors of Inosine Monophosphate Cyclohydrolase. J.Biol.Chem., 282, 2007
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5CP3
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![BU of 5cp3 by Molmil](/molmil-images/mine/5cp3) | Crystal Structure of an Antigen-Binding Fragment of Monoclonal Antibody against Sulfonamides in Complex with Sulfathiazole | Descriptor: | 4-amino-N-(1,3-thiazol-2-yl)benzenesulfonamide, CALCIUM ION, GLYCEROL, ... | Authors: | Wang, Z, Shen, J, Li, C, Li, Y, Wen, K, Yu, X, Zhang, X. | Deposit date: | 2015-07-21 | Release date: | 2015-08-05 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (1.99 Å) | Cite: | Class-specific Monoclonal Antibodies and Dihydropteroate Synthase in Bioassays used for the Detection of Sulfonamides: Structural Insights into Recognition Diversity. Anal. Chem., 91, 2019
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2B1G
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![BU of 2b1g by Molmil](/molmil-images/mine/2b1g) | Crystal structures of transition state analogue inhibitors of inosine monophosphate cyclohydrolase | Descriptor: | 7-(3,4-DIHYDROXY-5R-HYDROXYMETHYLTETRAHYDROFURAN-2-YL)-2,2-DIOXO-1,2R,3R,7-TETRAHYDRO-2L6-IMIDAZO[4,5-C][1,2,6]THIADIAZIN-4S-ONE, Bifunctional purine biosynthesis protein PURH, PHOSPHATE ION, ... | Authors: | Xu, L, Chong, Y, Hwang, I, D'Onofrio, A, Amore, K, Beardsley, G.P, Li, C, Olson, A.J, Boger, D.L, Wilson, I.A. | Deposit date: | 2005-09-15 | Release date: | 2006-11-21 | Last modified: | 2023-08-23 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Structure-based Design, Synthesis, Evaluation, and Crystal Structures of Transition State Analogue Inhibitors of Inosine Monophosphate Cyclohydrolase. J.Biol.Chem., 282, 2007
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2YJY
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![BU of 2yjy by Molmil](/molmil-images/mine/2yjy) | A specific and modular binding code for cytosine recognition in PUF domains | Descriptor: | 5'-R(*AP*UP*UP*GP*CP*AP*UP*AP*UP*AP)-3', PUMILIO HOMOLOG 1 | Authors: | Dong, S, Wang, Y, Cassidy-Amstutz, C, Lu, G, Qiu, C, Bigler, R, Jezyk, M, Li, C, Hall, T.M.T, Wang, Z. | Deposit date: | 2011-05-24 | Release date: | 2011-06-08 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.598 Å) | Cite: | Specific and Modular Binding Code for Cytosine Recognition in Pumilio/Fbf (Puf) RNA-Binding Domains. J.Biol.Chem., 286, 2011
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5CP7
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![BU of 5cp7 by Molmil](/molmil-images/mine/5cp7) | Crystal Structure of an Antigen-Binding Fragment of Monoclonal Antibody against Sulfonamides | Descriptor: | Heavy Chain of Antigen-Binding Fragment of Monoclonal Antibody of 4C7, Light Chain of Antigen-Binding Fragment of Monoclonal Antibody of 4C7 | Authors: | Wang, Z, Shen, J, Li, C, Li, Y, Wen, K, Yu, X, Zhang, X. | Deposit date: | 2015-07-21 | Release date: | 2015-08-05 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (3.01 Å) | Cite: | Class-specific Monoclonal Antibodies and Dihydropteroate Synthase in Bioassays used for the Detection of Sulfonamides: Structural Insights into Recognition Diversity. Anal. Chem., 91, 2019
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2VN3
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![BU of 2vn3 by Molmil](/molmil-images/mine/2vn3) | Nitrite Reductase from Alcaligenes xylosoxidans | Descriptor: | COPPER (II) ION, DISSIMILATORY COPPER-CONTAINING NITRITE REDUCTASE, SULFATE ION, ... | Authors: | Sato, K, Firbank, S.J, Li, C, Banfield, M.J, Dennison, C. | Deposit date: | 2008-01-30 | Release date: | 2008-12-23 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (2.35 Å) | Cite: | The Importance of the Long Type 1 Copper-Binding Loop of Nitrite Reductase for Structure and Function. Chemistry, 14, 2008
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2VMJ
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![BU of 2vmj by Molmil](/molmil-images/mine/2vmj) | Type 1 Copper-Binding Loop of Nitrite Reductase mutant: 130- CAPEGMVPWHVVSGM-144 to 130-CTPHPFM-136 | Descriptor: | 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, DISSIMILATORY COPPER-CONTAINING NITRITE REDUCTASE, ZINC ION | Authors: | Sato, K, Firbank, S.J, Li, C, Banfield, M.J, Dennison, C. | Deposit date: | 2008-01-28 | Release date: | 2008-12-23 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | The Importance of the Long Type 1 Copper-Binding Loop of Nitrite Reductase for Structure and Function. Chemistry, 14, 2008
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6PRZ
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![BU of 6prz by Molmil](/molmil-images/mine/6prz) | XFEL beta2 AR structure by ligand exchange from Alprenolol to Alprenolol. | Descriptor: | (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, (2S)-1-[(1-methylethyl)amino]-3-(2-prop-2-en-1-ylphenoxy)propan-2-ol, CHOLESTEROL, ... | Authors: | Ishchenko, A, Stauch, B, Han, G.W, Batyuk, A, Shiriaeva, A, Li, C, Zatsepin, N.A, Weierstall, U, Liu, W, Nango, E, Nakane, T, Tanaka, R, Tono, K, Joti, Y, Iwata, S, Moraes, I, Gati, C, Cherezov, C. | Deposit date: | 2019-07-12 | Release date: | 2019-11-13 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Toward G protein-coupled receptor structure-based drug design using X-ray lasers. Iucrj, 6, 2019
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5WYB
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![BU of 5wyb by Molmil](/molmil-images/mine/5wyb) | Structure of Pseudomonas aeruginosa DspI | Descriptor: | (4R)-2-METHYLPENTANE-2,4-DIOL, ACETATE ION, Probable enoyl-CoA hydratase/isomerase | Authors: | Liu, L, Peng, C, Li, T, Li, C, He, L, Song, Y, Zhu, Y, Shen, Y, Bao, R. | Deposit date: | 2017-01-12 | Release date: | 2018-01-17 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2.25 Å) | Cite: | Structural and functional studies on Pseudomonas aeruginosa DspI: implications for its role in DSF biosynthesis. Sci Rep, 8, 2018
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2IU3
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![BU of 2iu3 by Molmil](/molmil-images/mine/2iu3) | Crystal structures of transition state analogue inhibitors of inosine monophosphate cyclohydrolase | Descriptor: | 1,5-DIHYDROIMIDAZO[4,5-C][1,2,6]THIADIAZIN-4(3H)-ONE 2,2-DIOXIDE, BIFUNCTIONAL PURINE BIOSYNTHESIS PROTEIN PURH, POTASSIUM ION | Authors: | Xu, L, Chong, Y, Hwang, I, D'Onofrio, A, Amore, K, Beardsley, G.P, Li, C, Olson, A.J, Boger, D.L, Wilson, I.A. | Deposit date: | 2006-05-27 | Release date: | 2007-02-20 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (2.9 Å) | Cite: | Structure-based design, synthesis, evaluation, and crystal structures of transition state analogue inhibitors of inosine monophosphate cyclohydrolase. J. Biol. Chem., 282, 2007
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2IU0
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![BU of 2iu0 by Molmil](/molmil-images/mine/2iu0) | crystal structures of transition state analogue inhibitors of inosine monophosphate cyclohydrolase | Descriptor: | 1,5-DIHYDROIMIDAZO[4,5-C][1,2,6]THIADIAZIN-4(3H)-ONE 2,2-DIOXIDE, BIFUNCTIONAL PURINE BIOSYNTHESIS PROTEIN PURH, POTASSIUM ION | Authors: | Xu, L, Chong, Y, Hwang, I, Onofrio, A.D, Amore, K, Beardsley, G.P, Li, C, Olson, A.J, Boger, D.L, Wilson, I.A. | Deposit date: | 2006-05-26 | Release date: | 2007-02-20 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (2.53 Å) | Cite: | Structure-Based Design, Synthesis, Evaluation, and Crystal Structures of Transition State Analogue Inhibitors of Inosine Monophosphate Cyclohydrolase J.Biol.Chem., 282, 2007
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6PB0
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![BU of 6pb0 by Molmil](/molmil-images/mine/6pb0) | Cryo-EM structure of Urocortin 1-bound Corticotropin-releasing factor 1 receptor in complex with Gs protein and Nb35 | Descriptor: | CHOLESTEROL, Corticotropin-releasing factor receptor 1, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, ... | Authors: | Ma, S, Shen, Q, Zhao, L.-H, Mao, C, Zhou, X.E, Shen, D.-D, de Waal, P.W, Bi, P, Li, C, Jiang, Y, Wang, M.-W, Sexton, P.M, Wootten, D, Melcher, K, Zhang, Y, Xu, H.E. | Deposit date: | 2019-06-12 | Release date: | 2020-02-12 | Last modified: | 2020-02-19 | Method: | ELECTRON MICROSCOPY (3 Å) | Cite: | Molecular Basis for Hormone Recognition and Activation of Corticotropin-Releasing Factor Receptors. Mol.Cell, 77, 2020
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