4R29
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![BU of 4r29 by Molmil](/molmil-images/mine/4r29) | Crystal structure of bacterial cysteine methyltransferase effector NleE | Descriptor: | CITRIC ACID, GLYCEROL, S-ADENOSYLMETHIONINE, ... | Authors: | Yao, Q, Chen, J, Hu, L, Zhang, L, Shao, F. | Deposit date: | 2014-08-11 | Release date: | 2014-12-03 | Last modified: | 2024-03-20 | Method: | X-RAY DIFFRACTION (2.31 Å) | Cite: | Structure and Specificity of the Bacterial Cysteine Methyltransferase Effector NleE Suggests a Novel Substrate in Human DNA Repair Pathway. Plos Pathog., 10, 2014
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6NTY
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![BU of 6nty by Molmil](/molmil-images/mine/6nty) | 2.1 A resolution structure of the Musashi-2 (Msi2) RNA recognition motif 1 (RRM1) domain | Descriptor: | PHOSPHATE ION, RNA-binding protein Musashi homolog 2 | Authors: | Lovell, S, Kashipathy, M.M, Battaile, K.P, Lan, L, Xiaoqing, W, Cooper, A, Gao, F.P, Xu, L. | Deposit date: | 2019-01-30 | Release date: | 2019-10-23 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Crystal and solution structures of human oncoprotein Musashi-2 N-terminal RNA recognition motif 1. Proteins, 88, 2020
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6ND0
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1G6A
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![BU of 1g6a by Molmil](/molmil-images/mine/1g6a) | PSE-4 CARBENICILLINASE, R234K MUTANT | Descriptor: | BETA-LACTAMASE PSE-4, SULFATE ION | Authors: | Lim, D, Sanschagrin, F, Passmore, L, De Castro, L, Levesque, R.C, Strynadka, N.C.J. | Deposit date: | 2000-11-03 | Release date: | 2001-02-21 | Last modified: | 2023-08-09 | Method: | X-RAY DIFFRACTION (1.75 Å) | Cite: | Insights into the molecular basis for the carbenicillinase activity of PSE-4 beta-lactamase from crystallographic and kinetic studies. Biochemistry, 40, 2001
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3B7K
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![BU of 3b7k by Molmil](/molmil-images/mine/3b7k) | Human Acyl-coenzyme A thioesterase 12 | Descriptor: | Acyl-coenzyme A thioesterase 12, COENZYME A | Authors: | Lehtio, L, Busam, R.D, Arrowsmith, C.H, Collins, R, Dahlgren, L.G, Edwards, A.M, Flodin, S, Flores, A, Graslund, S, Hammarstrom, M, Hallberg, B.M, Herman, M.D, Johansson, A, Johansson, I, Kallas, A, Karlberg, T, Kotenyova, T, Moche, M, Nilsson, M.E, Nordlund, P, Nyman, T, Persson, C, Sagemark, J, Sundstrom, M, Svensson, L, Thorsell, A.G, Tresaugues, L, Van Den Berg, S, Weigelt, J, Welin, M, Berglund, H, Structural Genomics Consortium (SGC) | Deposit date: | 2007-10-31 | Release date: | 2007-11-13 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | Human Acyl-coenzyme A thioesterase 12. To be Published
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3BHD
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![BU of 3bhd by Molmil](/molmil-images/mine/3bhd) | Crystal structure of human thiamine triphosphatase (THTPA) | Descriptor: | CHLORIDE ION, CITRIC ACID, GLYCEROL, ... | Authors: | Busam, R.D, Lehtio, L, Arrowsmith, C.H, Collins, R, Dahlgren, L.G, Edwards, A.M, Flodin, S, Flores, A, Graslund, S, Hammarstrom, M, Hallberg, B.M, Herman, M.D, Johansson, A, Johansson, I, Kallas, A, Karlberg, T, Kotenyova, T, Moche, M, Nilsson, M.E, Nordlund, P, Nyman, T, Persson, C, Sagemark, J, Sundstrom, M, Svensson, L, Thorsell, A.G, Tresaugues, L, Van den Berg, S, Weigelt, J, Welin, M, Berglund, H, Structural Genomics Consortium (SGC) | Deposit date: | 2007-11-28 | Release date: | 2007-12-11 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | Crystal Structure of Human Thiamine Triphosphatase. To be Published
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2VPI
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![BU of 2vpi by Molmil](/molmil-images/mine/2vpi) | Human GMP synthetase - glutaminase domain | Descriptor: | GMP SYNTHASE | Authors: | Welin, M, Tresaugues, L, Arrowsmith, C.H, Berglund, H, Busam, R.D, Collins, R, Dahlgren, L.G, Edwards, A.M, Flodin, S, Flores, A, Graslund, S, Hammarstrom, M, Herman, M.D, Johansson, I, Kallas, A, Karlberg, T, Kotenyova, T, Lehtio, L, Moche, M, Nilsson, M.E, Nyman, T, Persson, C, Sagemark, J, Svensson, L, Thorsell, A.G, Van Der Berg, S, Weigelt, J, Nordlund, P, Structural Genomics Consortium (SGC) | Deposit date: | 2008-02-29 | Release date: | 2008-03-11 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Human Gmp Synthetase - Glutaminase Domain To be Published
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1GOK
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7ABU
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![BU of 7abu by Molmil](/molmil-images/mine/7abu) | Structure of SARS-CoV-2 Main Protease bound to RS102895 | Descriptor: | 1'-[2-[4-(trifluoromethyl)phenyl]ethyl]spiro[1~{H}-3,1-benzoxazine-4,4'-piperidine]-2-one, 3C-like proteinase, DIMETHYL SULFOXIDE, ... | Authors: | Guenther, S, Reinke, P.Y.A, Oberthuer, D, Yefanov, O, Gelisio, L, Ginn, H, Lieske, J, Domaracky, M, Brehm, W, Rahmani Mashour, 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, Paulraj, L.X, Ullah, N, Falke, S, Alves Franca, B, Schwinzer, M, Brognaro, H, Werner, N, Perbandt, M, Tidow, H, Seychell, B, Beck, T, Meier, S, Doyle, J.J, Giseler, H, Melo, D, Lane, T.J, Dunkel, I, 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, Schulz, E.C, Mehrabi, P, Norton-Baker, B, Schmidt, C, Lorenzen, K, Schubert, R, 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: | 2020-09-08 | Release date: | 2020-12-02 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | X-ray screening identifies active site and allosteric inhibitors of SARS-CoV-2 main protease. Science, 372, 2021
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7V1N
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![BU of 7v1n by Molmil](/molmil-images/mine/7v1n) | Structure of the Clade 2 C. difficile TcdB in complex with its receptor TFPI | Descriptor: | Isoform Beta of Tissue factor pathway inhibitor, Toxin B | Authors: | Luo, J, Yang, Q, Zhang, X, Zhang, Y, Wan, L, Li, Y, Tao, L. | Deposit date: | 2021-08-05 | Release date: | 2022-02-23 | Last modified: | 2022-03-30 | Method: | ELECTRON MICROSCOPY (3.2 Å) | Cite: | TFPI is a colonic crypt receptor for TcdB from hypervirulent clade 2 C. difficile. Cell, 185, 2022
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1GOO
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![BU of 1goo by Molmil](/molmil-images/mine/1goo) | Thermostable xylanase I from Thermoascus aurantiacus - Cryocooled glycerol complex | Descriptor: | ENDO-1,4-BETA-XYLANASE, GLYCEROL | Authors: | Eckert, K, Andrei, C, Larsen, S, Lo Leggio, L. | Deposit date: | 2001-10-22 | Release date: | 2001-12-03 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (1.87 Å) | Cite: | Substrate Specificity and Subsite Mobility in T. Aurantiacus Xylanase 10A FEBS Lett., 509, 2001
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1GOQ
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1GOM
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1H97
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![BU of 1h97 by Molmil](/molmil-images/mine/1h97) | Trematode hemoglobin from Paramphistomum epiclitum | Descriptor: | Globin-3, PROTOPORPHYRIN IX CONTAINING FE, SULFATE ION | Authors: | Pesce, A, Dewilde, S, Kiger, L, Milani, M, Ascenzi, P, Marden, M.C, Van Hauwaert, M.L, Vanfleteren, J, Moens, L, Bolognesi, M. | Deposit date: | 2001-03-02 | Release date: | 2001-06-21 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (1.17 Å) | Cite: | Very High Resolution Structure of a Trematode Hemoglobin Displaying a Tyrb10-Tyre7 Heme Distal Residue Pair and High Oxygen Affinity J.Mol.Biol., 309, 2001
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6O16
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![BU of 6o16 by Molmil](/molmil-images/mine/6o16) | Crystal structure of murine DHX37 in complex with RNA | Descriptor: | DEAH (Asp-Glu-Ala-His) box polypeptide 37, RNA (5'-R(*UP*UP*UP*UP*UP*UP*UP*UP*UP*U)-3') | Authors: | Boneberg, F, Brandmann, T, Kobel, L, van den Heuvel, J, Bargsten, K, Bammert, L, Kutay, U, Jinek, M. | Deposit date: | 2019-02-18 | Release date: | 2019-04-17 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (2.875 Å) | Cite: | Molecular mechanism of the RNA helicase DHX37 and its activation by UTP14A in ribosome biogenesis. Rna, 25, 2019
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6NHW
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![BU of 6nhw by Molmil](/molmil-images/mine/6nhw) | Structure of the transmembrane domain of the Death Receptor 5 - Dimer of Trimer | Descriptor: | Tumor necrosis factor receptor superfamily member 10B | Authors: | Chou, J.J, Pan, L, Fu, Q, Zhao, L, Chen, W, Piai, A, Fu, T, Wu, H. | Deposit date: | 2018-12-24 | Release date: | 2019-02-27 | Last modified: | 2024-05-15 | Method: | SOLUTION NMR | Cite: | Higher-Order Clustering of the Transmembrane Anchor of DR5 Drives Signaling. Cell, 176, 2019
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6NHY
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![BU of 6nhy by Molmil](/molmil-images/mine/6nhy) | Structure of the transmembrane domain of the Death Receptor 5 mutant (G217Y) - Trimer Only | Descriptor: | Tumor necrosis factor receptor superfamily member 10B | Authors: | Chou, J.J, Pan, L, Zhao, L, Chen, W, Piai, A, Fu, T, Wu, H, Liu, Z. | Deposit date: | 2018-12-24 | Release date: | 2019-02-27 | Last modified: | 2024-05-15 | Method: | SOLUTION NMR | Cite: | Higher-Order Clustering of the Transmembrane Anchor of DR5 Drives Signaling. Cell, 176, 2019
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8F6D
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1H4W
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![BU of 1h4w by Molmil](/molmil-images/mine/1h4w) | Structure of human trypsin IV (brain trypsin) | Descriptor: | BENZAMIDINE, CALCIUM ION, TRYPSIN IVA | Authors: | Katona, G, Berglund, G.I, Hajdu, J, Graf, L, Szilagyi, L. | Deposit date: | 2001-05-15 | Release date: | 2002-02-11 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Crystal structure reveals basis for the inhibitor resistance of human brain trypsin. J. Mol. Biol., 315, 2002
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2WTH
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![BU of 2wth by Molmil](/molmil-images/mine/2wth) | Low resolution 3D structure of C.elegans globin-like protein (GLB-1): P3121 crystal form | Descriptor: | GLOBIN-LIKE PROTEIN, GLYCEROL, OXYGEN MOLECULE, ... | Authors: | Geuens, E, Hoogewijs, D, Nardini, M, Vinck, E, Pesce, A, Kiger, L, Fago, A, Tilleman, L, De Henau, S, Marden, M, Weber, R.E, Van Doorslaer, S, Vanfleteren, J, Moens, L, Bolognesi, M, Dewilde, S. | Deposit date: | 2009-09-16 | Release date: | 2010-04-21 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Globin-Like Proteins in Caenorhabditis Elegans: In Vivo Localization, Ligand Binding and Structural Properties. Bmc Biochem., 11, 2010
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8F4Y
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![BU of 8f4y by Molmil](/molmil-images/mine/8f4y) | Crystal Structure of SARS-CoV-2 2'-O-Methyltransferase in Complex with Compound 5a covalently bound to nsp16 and nsp10 | Descriptor: | 2'-O-methyltransferase, 4-[(E)-2-(2,4-dichlorophenyl)ethenyl]-6-(trifluoromethyl)pyrimidin-2-ol, 4-[2-(2,4-dichlorophenyl)ethyl]-6-(trifluoromethyl)pyrimidin-2-ol, ... | Authors: | Minasov, G, Shuvalova, L, Brunzelle, J.S, Rosas-Lemus, M, Kiryukhina, O, Satchell, K.J.F, Center for Structural Biology of Infectious Diseases (CSBID) | Deposit date: | 2022-11-11 | Release date: | 2023-10-18 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (2.13 Å) | Cite: | Discovery of a Druggable, Cryptic Pocket in SARS-CoV-2 nsp16 Using Allosteric Inhibitors. Acs Infect Dis., 9, 2023
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8F4S
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![BU of 8f4s by Molmil](/molmil-images/mine/8f4s) | Crystal Structure of the SARS-CoV-2 2'-O-Methyltransferase with Compound 5a bound to the Cryptic Pocket of nsp16 | Descriptor: | 2'-O-methyltransferase, 4-[(E)-2-(2,4-dichlorophenyl)ethenyl]-6-(trifluoromethyl)pyrimidin-2-ol, FORMIC ACID, ... | Authors: | Minasov, G, Shuvalova, L, Brunzelle, J.S, Rosas-Lemus, M, Kiryukhina, O, Satchell, K.J.F, Center for Structural Biology of Infectious Diseases (CSBID) | Deposit date: | 2022-11-11 | Release date: | 2023-10-18 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (2.15 Å) | Cite: | Discovery of a Druggable, Cryptic Pocket in SARS-CoV-2 nsp16 Using Allosteric Inhibitors. Acs Infect Dis., 9, 2023
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6XEY
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![BU of 6xey by Molmil](/molmil-images/mine/6xey) | Cryo-EM structure of the SARS-CoV-2 spike glycoprotein bound to Fab 2-4 | Descriptor: | 2-4 Heavy Chain, 2-4 Light Chain, 2-acetamido-2-deoxy-beta-D-glucopyranose, ... | Authors: | Rapp, M, Shapiro, L, Ho, D.D. | Deposit date: | 2020-06-14 | Release date: | 2020-07-22 | Last modified: | 2021-01-27 | Method: | ELECTRON MICROSCOPY (3.25 Å) | Cite: | Potent neutralizing antibodies against multiple epitopes on SARS-CoV-2 spike. Nature, 584, 2020
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2VKT
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![BU of 2vkt by Molmil](/molmil-images/mine/2vkt) | HUMAN CTP SYNTHETASE 2 - GLUTAMINASE DOMAIN | Descriptor: | CTP SYNTHASE 2 | Authors: | Welin, M, Tresaugues, L, Arrowsmith, C.H, Berglund, H, Busam, R.D, Collins, R, Dahlgren, L.G, Edwards, A.M, Flodin, S, Flores, A, Graslund, S, Hammarstrom, M, Herman, M.D, Johansson, I, Kallas, A, Karlberg, T, Kotenyova, T, Lehtio, L, Moche, M, Nilsson, M.E, Nyman, T, Persson, C, Sagemark, J, Svensson, L, Thorsell, A.G, van den Berg, S, Weigelt, J, Nordlund, P, Structural Genomics Consortium (SGC) | Deposit date: | 2007-12-28 | Release date: | 2008-01-15 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Human Ctp Synthetase 2 - Glutaminase Domain To be Published
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5L7F
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![BU of 5l7f by Molmil](/molmil-images/mine/5l7f) | Crystal structure of MMP12 mutant K421A in complex with RXP470.1 conjugated with fluorophore Cy5,5 in space group P21. | Descriptor: | 1,2-ETHANEDIOL, BROMIDE ION, CALCIUM ION, ... | Authors: | Tepshi, L, Bordenave, T, Rouanet-Mehouas, C, Devel, L, Dive, V, Stura, E.A. | Deposit date: | 2016-06-03 | Release date: | 2016-09-14 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Synthesis and in Vitro and in Vivo Evaluation of MMP-12 Selective Optical Probes. Bioconjug.Chem., 27, 2016
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