5WZF
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5W7X
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7RMZ
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![BU of 7rmz by Molmil](/molmil-images/mine/7rmz) | Room temperature X-ray structure of SARS-CoV-2 main protease (Mpro) in complex with HL-3-63 | Descriptor: | 3C-like proteinase, 6-{4-[3-chloro-4-(trifluoromethyl)phenyl]piperazine-1-carbonyl}pyrimidine-2,4(1H,3H)-dione | Authors: | Kovalevsky, A, Kneller, D.W, Coates, L. | Deposit date: | 2021-07-28 | Release date: | 2021-11-10 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Structural, Electronic, and Electrostatic Determinants for Inhibitor Binding to Subsites S1 and S2 in SARS-CoV-2 Main Protease. J.Med.Chem., 64, 2021
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7LRF
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![BU of 7lrf by Molmil](/molmil-images/mine/7lrf) | Netrin-1 in complex with SOS | Descriptor: | 1,2-ETHANEDIOL, 1,3,4,6-tetra-O-sulfo-beta-D-fructofuranose-(2-1)-2,3,4,6-tetra-O-sulfonato-alpha-D-glucopyranose, 2-[N-CYCLOHEXYLAMINO]ETHANE SULFONIC ACID, ... | Authors: | Gupta, M, McDougall, M, Torres, A.M, Stetefeld, J. | Deposit date: | 2021-02-16 | Release date: | 2022-02-23 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (3.21 Å) | Cite: | The dynamic nature of netrin-1 and the structural basis for glycosaminoglycan fragment-induced filament formation. Nat Commun, 14, 2023
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5WQW
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![BU of 5wqw by Molmil](/molmil-images/mine/5wqw) | X-ray structure of catalytic domain of autolysin from Clostridium perfringens | Descriptor: | 1,2-ETHANEDIOL, N-acetylglucosaminidase | Authors: | Tamai, E, Sekiya, H, Goda, E, Makihata, N, Maki, J, Yoshida, H, Kamitori, S. | Deposit date: | 2016-11-29 | Release date: | 2016-12-07 | Last modified: | 2024-03-20 | Method: | X-RAY DIFFRACTION (1.76 Å) | Cite: | Structural and biochemical characterization of the Clostridium perfringens autolysin catalytic domain FEBS Lett., 591, 2017
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7PX5
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![BU of 7px5 by Molmil](/molmil-images/mine/7px5) | ATAD2 in complex with 1-Methyl-2-quinolone | Descriptor: | 1,2-ETHANEDIOL, 1-METHYLQUINOLIN-2(1H)-ONE, ATPase family AAA domain-containing protein 2, ... | Authors: | Martin, M.P, Noble, M.E.N. | Deposit date: | 2021-10-07 | Release date: | 2022-11-02 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2.18 Å) | Cite: | Exiting the tunnel of uncertainty: crystal soak to validated hit. Acta Crystallogr D Struct Biol, 78, 2022
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5I9N
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![BU of 5i9n by Molmil](/molmil-images/mine/5i9n) | Crystal structure of B. pseudomallei FabI in complex with NAD and PT412 | Descriptor: | 5-ethyl-4-fluoro-2-(2-nitrophenoxy)phenol, Enoyl-[acyl-carrier-protein] reductase [NADH], NICOTINAMIDE-ADENINE-DINUCLEOTIDE | Authors: | Hirschbeck, M.W, Eltschkner, S, Tonge, P.J, Kisker, C. | Deposit date: | 2016-02-20 | Release date: | 2017-02-22 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.512 Å) | Cite: | Rationalizing the Binding Kinetics for the Inhibition of the Burkholderia pseudomallei FabI1 Enoyl-ACP Reductase. Biochemistry, 56, 2017
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5IR1
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![BU of 5ir1 by Molmil](/molmil-images/mine/5ir1) | Cetuximab Fab in complex with 3-bromophenylalanine meditope variant | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Cetuximab Fab heavy chain, Cetuximab Fab light chain, ... | Authors: | Bzymek, K.P, Williams, J.C. | Deposit date: | 2016-03-11 | Release date: | 2016-10-26 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (2.482 Å) | Cite: | Natural and non-natural amino-acid side-chain substitutions: affinity and diffraction studies of meditope-Fab complexes. Acta Crystallogr F Struct Biol Commun, 72, 2016
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7TUU
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5WCE
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![BU of 5wce by Molmil](/molmil-images/mine/5wce) | Caulobacter crescentus pol III beta | Descriptor: | DNA polymerase III subunit beta | Authors: | Oakley, A.J. | Deposit date: | 2017-06-30 | Release date: | 2017-07-26 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Crystal structure of Pol III beta from Caulobacter crescentus To Be Published
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1ZD0
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![BU of 1zd0 by Molmil](/molmil-images/mine/1zd0) | Crystal structure of Pfu-542154 conserved hypothetical protein | Descriptor: | MAGNESIUM ION, METHANOL, UNKNOWN ATOM OR ION, ... | Authors: | Habel, J.E, Liu, Z.J, Horanyi, P.S, Florence, Q.J.T, Tempel, W, Zhou, W, Chen, L, Lee, D, Nguyen, J, Chang, S.H, Bereton, P, Izumi, M, Jenny Jr, F.E, Poole II, F.L, Shah, C, Sugar, F.J, Adams, M.W.W, Rose, J.P, Wang, B.C, Southeast Collaboratory for Structural Genomics (SECSG) | Deposit date: | 2005-04-13 | Release date: | 2005-05-17 | Last modified: | 2017-10-11 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Crystal structure of Pfu-542154 conserved hypothetical protein To be Published
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5JL4
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7TEH
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![BU of 7teh by Molmil](/molmil-images/mine/7teh) | Room temperature X-ray structure of SARS-CoV-2 main protease (3CL Mpro) in complex with BBH-2 | Descriptor: | (1R,2S,5S)-3-[N-(tert-butylcarbamoyl)-3-methyl-L-valyl]-N-{(1Z,2S)-1-imino-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2-carboxamide, 3C-like proteinase | Authors: | Kovalevsky, A, Kneller, D.W, Coates, L. | Deposit date: | 2022-01-05 | Release date: | 2022-03-02 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Covalent narlaprevir- and boceprevir-derived hybrid inhibitors of SARS-CoV-2 main protease Nat Commun, 13, 2022
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7TFR
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![BU of 7tfr by Molmil](/molmil-images/mine/7tfr) | Room temperature X-ray structure of SARS-CoV-2 main protease (3CL Mpro) in complex with NBH-2 | Descriptor: | (1R,2S,5S)-N-{(1Z,2S)-1-imino-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-6,6-dimethyl-3-[3-methyl-N-({1-[(2-methylpropane-2-sulfonyl)methyl]cyclohexyl}carbamoyl)-L-valyl]-3-azabicyclo[3.1.0]hexane-2-carboxamide, 3C-like proteinase | Authors: | Kovalevsky, A, Kneller, D.W, Coates, L. | Deposit date: | 2022-01-07 | Release date: | 2022-03-02 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Covalent narlaprevir- and boceprevir-derived hybrid inhibitors of SARS-CoV-2 main protease Nat Commun, 13, 2022
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5YV7
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![BU of 5yv7 by Molmil](/molmil-images/mine/5yv7) | Racemic X-ray Structure of Calcicludine | Descriptor: | Kunitz-type serine protease inhibitor homolog calcicludine | Authors: | Shuai, G, Qian, Q, Lei, L. | Deposit date: | 2017-11-24 | Release date: | 2017-12-27 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2.395 Å) | Cite: | Racemic X-ray Structure of Calcicludine To Be Published
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5JEM
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![BU of 5jem by Molmil](/molmil-images/mine/5jem) | Complex of IRF-3 with CBP | Descriptor: | CREB-binding protein, Interferon regulatory factor 3 | Authors: | Zhao, B, Li, P. | Deposit date: | 2016-04-18 | Release date: | 2016-06-15 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Structural basis for concerted recruitment and activation of IRF-3 by innate immune adaptor proteins. Proc.Natl.Acad.Sci.USA, 113, 2016
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5JG9
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7KC8
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![BU of 7kc8 by Molmil](/molmil-images/mine/7kc8) | Salivary protein from Culex quinquefasciatus that belongs to the Cysteins and Tryptophan-Rich (CWRC) family | Descriptor: | 16.4 kDa salivary peptide, ACETIC ACID | Authors: | Garboczi, D.N, Gittis, A.G, Kern, O, Martin-Martin, I. | Deposit date: | 2020-10-05 | Release date: | 2021-06-02 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | The structures of two salivary proteins from the West Nile vector Culex quinquefasciatus reveal a beta-trefoil fold with putative sugar binding properties Curr Res Struct Biol, 3, 2021
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7DCF
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![BU of 7dcf by Molmil](/molmil-images/mine/7dcf) | Crystal structure of EHMT2 SET domain in complex with compound 10 | Descriptor: | 5'-methoxy-6'-(1-methyl-2,3,4,7-tetrahydroazepin-5-yl)spiro[cyclobutane-1,3'-indole]-2'-amine, Histone-lysine N-methyltransferase EHMT2, S-ADENOSYLMETHIONINE, ... | Authors: | Suzuki, M, Katayama, K. | Deposit date: | 2020-10-26 | Release date: | 2021-02-10 | Last modified: | 2024-03-27 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Discovery of DS79932728: A Potent, Orally Available G9a/GLP Inhibitor for Treating beta-Thalassemia and Sickle Cell Disease. Acs Med.Chem.Lett., 12, 2021
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7JOF
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![BU of 7jof by Molmil](/molmil-images/mine/7jof) | Calcium-bound C2A Domain from Human Dysferlin | Descriptor: | CALCIUM ION, Isoform 6 of Dysferlin | Authors: | Tadayon, R, Wang, Y, Santamaria, L, Mercier, P, Forristal, C, Shaw, G.S. | Deposit date: | 2020-08-06 | Release date: | 2021-06-16 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Calcium binds and rigidifies the dysferlin C2A domain in a tightly coupled manner. Biochem.J., 478, 2021
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7SBN
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5IVZ
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![BU of 5ivz by Molmil](/molmil-images/mine/5ivz) | Cetuximab Fab in complex with Arg8Cir meditope variant | Descriptor: | Cetuximab Fab, heavy chain, light chain, ... | Authors: | Bzymek, K.P, Williams, J.C. | Deposit date: | 2016-03-21 | Release date: | 2016-10-26 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (2.48 Å) | Cite: | Natural and non-natural amino-acid side-chain substitutions: affinity and diffraction studies of meditope-Fab complexes. Acta Crystallogr F Struct Biol Commun, 72, 2016
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7SBM
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![BU of 7sbm by Molmil](/molmil-images/mine/7sbm) | Human glutaminase C (Y466W) with L-Gln, open conformation | Descriptor: | GLUTAMINE, Isoform 3 of Glutaminase kidney isoform, mitochondrial | Authors: | Nguyen, T.-T.T, Cerione, R.A. | Deposit date: | 2021-09-25 | Release date: | 2022-02-02 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | High-resolution structures of mitochondrial glutaminase C tetramers indicate conformational changes upon phosphate binding. J.Biol.Chem., 298, 2022
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5IX9
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![BU of 5ix9 by Molmil](/molmil-images/mine/5ix9) | Cell surface anchoring domain | Descriptor: | Antifreeze protein | Authors: | Guo, S, Langelaan, D. | Deposit date: | 2016-03-23 | Release date: | 2017-06-28 | Last modified: | 2024-05-01 | Method: | SOLUTION NMR | Cite: | Structure of a 1.5-MDa adhesin that binds its Antarctic bacterium to diatoms and ice. Sci Adv, 3, 2017
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5J1D
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![BU of 5j1d by Molmil](/molmil-images/mine/5j1d) | X-ray crystal structure of Phosphate binding protein (PBP) from Stenotrophomonas maltophilia | Descriptor: | GLYCEROL, PHOSPHATE ION, Phosphate binding protein | Authors: | Hatti, K, Gulati, A, Narayanswamy, S, Murthy, M.R.N. | Deposit date: | 2016-03-29 | Release date: | 2016-10-05 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Determination of crystal structures of proteins of unknown identity using a marathon molecular replacement procedure: structure of Stenotrophomonas maltophilia phosphate-binding protein. Acta Crystallogr D Struct Biol, 72, 2016
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