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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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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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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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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6NBF
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![BU of 6nbf by Molmil](/molmil-images/mine/6nbf) | Cryo-EM structure of parathyroid hormone receptor type 1 in complex with a long-acting parathyroid hormone analog and G protein | Descriptor: | CHOLESTEROL, Gs protein alpha subunit, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, ... | Authors: | Zhao, L.-H, Ma, S, Sutkeviciute, I, Shen, D.-D, Zhou, X.E, de Waal, P.P, Li, C.-Y, Kang, Y, Clark, L.J, Jean-Alphonse, F.G, White, A.D, Xiao, K, Yang, D, Jiang, Y, Watanabe, T, Gardella, T.J, Melcher, K, Wang, M.-W, Vilardaga, J.-P, Xu, H.E, Zhang, Y. | Deposit date: | 2018-12-07 | Release date: | 2019-04-17 | Last modified: | 2019-12-18 | Method: | ELECTRON MICROSCOPY (3 Å) | Cite: | Structure and dynamics of the active human parathyroid hormone receptor-1. Science, 364, 2019
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6NBI
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![BU of 6nbi by Molmil](/molmil-images/mine/6nbi) | Cryo-EM structure of parathyroid hormone receptor type 1 in complex with a long-acting parathyroid hormone analog and G protein | Descriptor: | CHOLESTEROL, Gs protein alpha subunit, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, ... | Authors: | Zhao, L.-H, Ma, S, Sutkeviciute, I, Shen, D.-D, Zhou, X.E, de Waal, P.P, Li, C.-Y, Kang, Y, Clark, L.J, Jean-Alphonse, F.G, White, A.D, Xiao, K, Yang, D, Jiang, Y, Watanabe, T, Gardella, T.J, Melcher, K, Wang, M.-W, Vilardaga, J.-P, Xu, H.E, Zhang, Y. | Deposit date: | 2018-12-07 | Release date: | 2019-04-17 | Last modified: | 2019-12-18 | Method: | ELECTRON MICROSCOPY (4 Å) | Cite: | Structure and dynamics of the active human parathyroid hormone receptor-1. Science, 364, 2019
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6NBH
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![BU of 6nbh by Molmil](/molmil-images/mine/6nbh) | Cryo-EM structure of parathyroid hormone receptor type 1 in complex with a long-acting parathyroid hormone analog and G protein | Descriptor: | CHOLESTEROL, Gs protein alpha subunit, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, ... | Authors: | Zhao, L.-H, Ma, S, Sutkeviciute, I, Shen, D.-D, Zhou, X.E, de Waal, P.P, Li, C.-Y, Kang, Y, Clark, L.J, Jean-Alphonse, F.G, White, A.D, Xiao, K, Yang, D, Jiang, Y, Watanabe, T, Gardella, T.J, Melcher, K, Wang, M.-W, Vilardaga, J.-P, Xu, H.E, Zhang, Y. | Deposit date: | 2018-12-07 | Release date: | 2019-04-17 | Last modified: | 2019-12-18 | Method: | ELECTRON MICROSCOPY (3.5 Å) | Cite: | Structure and dynamics of the active human parathyroid hormone receptor-1. Science, 364, 2019
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1OUP
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![BU of 1oup by Molmil](/molmil-images/mine/1oup) | |
6AG0
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![BU of 6ag0 by Molmil](/molmil-images/mine/6ag0) | The X-ray Crystallographic Structure of Maltooligosaccharide-forming Amylase from Bacillus stearothermophilus STB04 | Descriptor: | 4,6-dideoxy-4-{[(1S,4R,5S,6S)-4,5,6-trihydroxy-3-(hydroxymethyl)cyclohex-2-en-1-yl]amino}-alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose, Alpha-amylase, CALCIUM ION | Authors: | Li, Z.F, Li, Y.L, Ban, X.F, Zhang, C.Y, Jin, T.C, Xie, X.F, Gu, Z.B, Li, C.M. | Deposit date: | 2018-08-09 | Release date: | 2018-10-10 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Crystal structure of a maltooligosaccharide-forming amylase from Bacillus stearothermophilus STB04. Int.J.Biol.Macromol., 138, 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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1OUO
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![BU of 1ouo by Molmil](/molmil-images/mine/1ouo) | |
5YLO
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![BU of 5ylo by Molmil](/molmil-images/mine/5ylo) | Structural of Pseudomonas aeruginosa PA4980 | Descriptor: | GLYCEROL, Probable enoyl-CoA hydratase/isomerase | Authors: | Liu, L, Li, T, Peng, C.T, Li, C.C, Xiao, Q.J, He, L.H, Wang, N.Y, Bao, R. | Deposit date: | 2017-10-18 | Release date: | 2018-08-22 | Last modified: | 2024-03-27 | Method: | X-RAY DIFFRACTION (2.39 Å) | Cite: | Structural characterization of a Delta3, Delta2-enoyl-CoA isomerase from Pseudomonas aeruginosa: implications for its involvement in unsaturated fatty acid metabolism. J.Biomol.Struct.Dyn., 37, 2019
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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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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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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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5GSN
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![BU of 5gsn by Molmil](/molmil-images/mine/5gsn) | Tmm in complex with methimazole | Descriptor: | 1-METHYL-1,3-DIHYDRO-2H-IMIDAZOLE-2-THIONE, FLAVIN-ADENINE DINUCLEOTIDE, Flavin-containing monooxygenase, ... | Authors: | Zhang, Y.Z, Li, C.Y. | Deposit date: | 2016-08-16 | Release date: | 2017-01-18 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (2.203 Å) | Cite: | Structural mechanism for bacterial oxidation of oceanic trimethylamine into trimethylamine N-oxide Mol. Microbiol., 103, 2017
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5WYD
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![BU of 5wyd by Molmil](/molmil-images/mine/5wyd) | Structural of Pseudomonas aeruginosa DspI | Descriptor: | (4R)-2-METHYLPENTANE-2,4-DIOL, (4S)-2-METHYL-2,4-PENTANEDIOL, ISOPROPYL ALCOHOL, ... | 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: | 2018-01-31 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2.101 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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5WZE
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![BU of 5wze by Molmil](/molmil-images/mine/5wze) | The structure of Pseudomonas aeruginosa aminopeptidase PepP | Descriptor: | 1,2-ETHANEDIOL, ALANINE, Aminopeptidase P, ... | Authors: | Bao, R, Peng, C.T, Liu, L, He, L.H, Li, C.C, Li, T, Shen, Y.L, Zhu, Y.B, Song, Y.J. | Deposit date: | 2017-01-17 | Release date: | 2018-01-17 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (1.783 Å) | Cite: | Structure-Function Relationship of Aminopeptidase P from Pseudomonas aeruginosa. Front Microbiol, 8, 2017
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1ZNS
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![BU of 1zns by Molmil](/molmil-images/mine/1zns) | Crystal structure of N-ColE7/12-bp DNA/Zn complex | Descriptor: | 5'-D(*CP*GP*GP*GP*AP*TP*AP*TP*CP*CP*CP*G)-3', Colicin E7, ZINC ION | Authors: | Doudeva, L.G, Huang, H, Hsia, K.C, Shi, Z, Li, C.L, Shen, Y, Yuan, H.S. | Deposit date: | 2005-05-12 | Release date: | 2006-03-14 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Crystal structural analysis and metal-dependent stability and activity studies of the ColE7 endonuclease domain in complex with DNA/Zn2+ or inhibitor/Ni2+ Protein Sci., 15, 2006
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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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5TOU
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![BU of 5tou by Molmil](/molmil-images/mine/5tou) | STRUCTURE OF C-PHYCOCYANIN FROM ARCTIC PSEUDANABAENA SP. LW0831 | Descriptor: | PHYCOCYANOBILIN, Phycocyanin alpha-1 subunit, Phycocyanin beta-1 subunit | Authors: | Wang, Q.M, Li, C.Y, Su, H.N, Zhang, Y.Z, Xie, B.B. | Deposit date: | 2016-10-18 | Release date: | 2017-03-08 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (2.04 Å) | Cite: | Structural insights into the cold adaptation of the photosynthetic pigment-protein C-phycocyanin from an Arctic cyanobacterium Biochim. Biophys. Acta, 1858, 2017
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6PS0
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![BU of 6ps0 by Molmil](/molmil-images/mine/6ps0) | XFEL beta2 AR structure by ligand exchange from Alprenolol to Carazolol. | Descriptor: | (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, (2S)-1-(9H-Carbazol-4-yloxy)-3-(isopropylamino)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 (3.4 Å) | Cite: | Toward G protein-coupled receptor structure-based drug design using X-ray lasers. Iucrj, 6, 2019
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6PS3
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![BU of 6ps3 by Molmil](/molmil-images/mine/6ps3) | XFEL beta2 AR structure by ligand exchange from Timolol to Carvedilol. | Descriptor: | (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, (2S)-1-(8H-CARBAZOL-4-YLOXY)-3-[2-(2-METHOXYPHENOXY)ETHYLAMINO]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 (2.5 Å) | Cite: | Toward G protein-coupled receptor structure-based drug design using X-ray lasers. Iucrj, 6, 2019
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6PS6
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![BU of 6ps6 by Molmil](/molmil-images/mine/6ps6) | XFEL beta2 AR structure by ligand exchange from Timolol to Timolol. | Descriptor: | (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, (2S)-1-(tert-butylamino)-3-[(4-morpholin-4-yl-1,2,5-thiadiazol-3-yl)oxy]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 (2.7 Å) | Cite: | Toward G protein-coupled receptor structure-based drug design using X-ray lasers. Iucrj, 6, 2019
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6PS1
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![BU of 6ps1 by Molmil](/molmil-images/mine/6ps1) | XFEL beta2 AR structure by ligand exchange from Alprenolol to Timolol. | Descriptor: | (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, (2S)-1-(tert-butylamino)-3-[(4-morpholin-4-yl-1,2,5-thiadiazol-3-yl)oxy]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 (3.2 Å) | Cite: | Toward G protein-coupled receptor structure-based drug design using X-ray lasers. Iucrj, 6, 2019
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