8RFN
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![BU of 8rfn by Molmil](/molmil-images/mine/8rfn) | Human NOQ1 enzyme in its holo form by serial crystallography | Descriptor: | 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, FLAVIN-ADENINE DINUCLEOTIDE, NAD(P)H dehydrogenase [quinone] 1 | Authors: | Martin-Garcia, J.M, Grieco, A, Medina, M, Boneta, S, Pey, A.L. | Deposit date: | 2023-12-13 | Release date: | 2024-05-29 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Structural dynamics and functional cooperativity of human NQO1 by ambient temperature serial crystallography and simulations. Protein Sci., 33, 2024
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6RD3
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6RCK
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![BU of 6rck by Molmil](/molmil-images/mine/6rck) | Crystal structure of the OmpK36 GD insertion chimera from Klebsiella pneumonia | Descriptor: | (2S)-3-{[{[(2S)-2,3-DIHYDROXYPROPYL]OXY}(HYDROXY)PHOSPHORYL]OXY}-2-[(6E)-HEXADEC-6-ENOYLOXY]PROPYL (8E)-OCTADEC-8-ENOATE, (HYDROXYETHYLOXY)TRI(ETHYLOXY)OCTANE, LAURYL DIMETHYLAMINE-N-OXIDE, ... | Authors: | Beis, K, Romano, M, Kwong, J. | Deposit date: | 2019-04-11 | Release date: | 2019-09-11 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (2.029 Å) | Cite: | OmpK36-mediated Carbapenem resistance attenuates ST258 Klebsiella pneumoniae in vivo. Nat Commun, 10, 2019
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6Z6Y
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5LXX
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![BU of 5lxx by Molmil](/molmil-images/mine/5lxx) | High-resolution structure of human collapsin response mediator protein 2 | Descriptor: | 2-[BIS-(2-HYDROXY-ETHYL)-AMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Dihydropyrimidinase-related protein 2, SULFATE ION | Authors: | Myllykoski, M, Hensley, K, Kursula, P. | Deposit date: | 2016-09-23 | Release date: | 2017-01-11 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.25 Å) | Cite: | Collapsin response mediator protein 2: high-resolution crystal structure sheds light on small-molecule binding, post-translational modifications, and conformational flexibility. Amino Acids, 49, 2017
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7KHP
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![BU of 7khp by Molmil](/molmil-images/mine/7khp) | Acyl-enzyme intermediate structure of SARS-CoV-2 Mpro in complex with its C-terminal autoprocessing sequence. | Descriptor: | 3C-like proteinase, DIMETHYL SULFOXIDE | Authors: | Lee, J, Worrall, L.J, Paetzel, M, Strynadka, N.C.J. | Deposit date: | 2020-10-21 | Release date: | 2020-10-28 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.95 Å) | Cite: | Crystallographic structure of wild-type SARS-CoV-2 main protease acyl-enzyme intermediate with physiological C-terminal autoprocessing site. Nat Commun, 11, 2020
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2HQU
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![BU of 2hqu by Molmil](/molmil-images/mine/2hqu) | Human dUTPase in complex with alpha,beta-iminodUTP and magnesium ion | Descriptor: | 2'-DEOXYURIDINE 5'-ALPHA,BETA-IMIDO-TRIPHOSPHATE, CHLORIDE ION, Deoxyuridine 5'-triphosphate nucleotidohydrolase, ... | Authors: | Barabas, O, Varga, B, Vertessy, B.G. | Deposit date: | 2006-07-19 | Release date: | 2007-07-24 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Active site closure facilitates juxtaposition of reactant atoms for initiation of catalysis by human dUTPase. Febs Lett., 581, 2007
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4F4U
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3DJ4
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![BU of 3dj4 by Molmil](/molmil-images/mine/3dj4) | Crystal Structure of GlmU from Mycobacterium tuberculosis in complex with URIDINE-DIPHOSPHATE-N-ACETYLGLUCOSAMINE. | Descriptor: | Bifunctional protein glmU, COBALT (II) ION, MAGNESIUM ION, ... | Authors: | Verma, S.K, Prakash, B. | Deposit date: | 2008-06-22 | Release date: | 2009-05-19 | Last modified: | 2024-03-20 | Method: | X-RAY DIFFRACTION (2.38 Å) | Cite: | PknB-mediated phosphorylation of a novel substrate, N-acetylglucosamine-1-phosphate uridyltransferase, modulates its acetyltransferase activity. J.Mol.Biol., 386, 2009
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5E6E
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2XED
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![BU of 2xed by Molmil](/molmil-images/mine/2xed) | Nocardia farcinica maleate cis-trans isomerase C194S mutant with a covalently bound succinylcysteine intermediate | Descriptor: | PUTATIVE MALEATE ISOMERASE, SUCCINIC ACID | Authors: | Fisch, F, Martinez-Fleites, C, Baudendistel, N, Hauer, B, Turkenburg, J.P, Hart, S, Bruce, N.C, Grogan, G. | Deposit date: | 2010-05-13 | Release date: | 2010-08-18 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (1.95 Å) | Cite: | A Covalent Succinylcysteine-Like Intermediate in the Enzyme-Catalyzed Transformation of Maleate to Fumarate by Maleate Isomerase. J.Am.Chem.Soc., 132, 2010
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3S1V
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![BU of 3s1v by Molmil](/molmil-images/mine/3s1v) | Transaldolase from Thermoplasma acidophilum in complex with D-fructose 6-phosphate Schiff-base intermediate | Descriptor: | FRUCTOSE -6-PHOSPHATE, GLYCEROL, Probable transaldolase | Authors: | Lehwess-Litzmann, A, Neumann, P, Parthier, C, Tittmann, K. | Deposit date: | 2011-05-16 | Release date: | 2011-08-24 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Twisted Schiff base intermediates and substrate locale revise transaldolase mechanism. Nat.Chem.Biol., 7, 2011
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4F56
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![BU of 4f56 by Molmil](/molmil-images/mine/4f56) | The bicyclic intermediate structure provides insights into the desuccinylation mechanism of SIRT5 | Descriptor: | 3-[(2R,3aR,5R,6R,6aR)-5-({[(S)-{[(S)-{[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methoxy}(hydroxy)phosphoryl]oxy}(hydroxy)phosphoryl]oxy}methyl)-2,6-dihydroxytetrahydrofuro[2,3-d][1,3]oxathiol-2-yl]propanoic acid, NAD-dependent lysine demalonylase and desuccinylase sirtuin-5, mitochondrial, ... | Authors: | Zhou, Y, Hao, Q. | Deposit date: | 2012-05-11 | Release date: | 2012-06-20 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | The Bicyclic Intermediate Structure Provides Insights into the Desuccinylation Mechanism of Human Sirtuin 5 (SIRT5) J.Biol.Chem., 287, 2012
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6KMC
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![BU of 6kmc by Molmil](/molmil-images/mine/6kmc) | Crystal structure of a Streptococcal protein G B1 mutant | Descriptor: | ACETIC ACID, Immunoglobulin G-binding protein G B1 | Authors: | Watanabe, H, Honda, S. | Deposit date: | 2019-07-31 | Release date: | 2019-10-23 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (1.84 Å) | Cite: | Histidine-Mediated Intramolecular Electrostatic Repulsion for Controlling pH-Dependent Protein-Protein Interaction. Acs Chem.Biol., 14, 2019
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6E2Q
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7DDB
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![BU of 7ddb by Molmil](/molmil-images/mine/7ddb) | Crystal structure of fungal antifreeze protein with intermediate activity | Descriptor: | Antifreeze protein, MAGNESIUM ION | Authors: | Khan, N.M.M.U, Arai, T, Tsuda, S, Kondo, H. | Deposit date: | 2020-10-28 | Release date: | 2021-11-03 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (1.72 Å) | Cite: | Characterization of microbial antifreeze protein with intermediate activity suggests that a bound-water network is essential for hyperactivity. Sci Rep, 11, 2021
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7DC5
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![BU of 7dc5 by Molmil](/molmil-images/mine/7dc5) | Crystal structure of fungal antifreeze protein with intermediate activity | Descriptor: | Antifreeze protein, SULFATE ION | Authors: | Khan, N.M.M.U, Arai, T, Tsuda, S, Kondo, H. | Deposit date: | 2020-10-23 | Release date: | 2021-10-27 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (1.54 Å) | Cite: | Characterization of microbial antifreeze protein with intermediate activity suggests that a bound-water network is essential for hyperactivity. Sci Rep, 11, 2021
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5MYD
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![BU of 5myd by Molmil](/molmil-images/mine/5myd) | Convergent evolution involving dimeric and trimeric dUTPases in signalling. | Descriptor: | 2'-DEOXYURIDINE 5'-ALPHA,BETA-IMIDO-TRIPHOSPHATE, DUTPase, MAGNESIUM ION | Authors: | Donderis, J, Bowring, J, Maiques, E, Ciges-Tomas, J.R, Alite, C, Mehmedov, I, Tormo-Mas, M.A, Penades, J.R, Marina, A. | Deposit date: | 2017-01-26 | Release date: | 2017-09-06 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Convergent evolution involving dimeric and trimeric dUTPases in pathogenicity island mobilization. PLoS Pathog., 13, 2017
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3ZIF
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![BU of 3zif by Molmil](/molmil-images/mine/3zif) | Cryo-EM structures of two intermediates provide insight into adenovirus assembly and disassembly | Descriptor: | HEXON PROTEIN, PENTON PROTEIN, PIX, ... | Authors: | Cheng, L, Huang, X, Li, X, Xiong, W, Sun, W, Yang, C, Zhang, K, Wang, Y, Liu, H, Ji, G, Sun, F, Zheng, C, Zhu, P. | Deposit date: | 2013-01-09 | Release date: | 2014-01-22 | Last modified: | 2024-05-08 | Method: | ELECTRON MICROSCOPY (4.5 Å) | Cite: | Cryo-Em Structures of Two Bovine Adenovirus Type 3 Intermediates Virology, 450, 2014
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3V1A
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![BU of 3v1a by Molmil](/molmil-images/mine/3v1a) | Crystal structure of de novo designed MID1-apo1 | Descriptor: | Computational design, MID1-apo1 | Authors: | Der, B.S, Machius, M, Miley, M.J, Kuhlman, B. | Deposit date: | 2011-12-09 | Release date: | 2012-01-11 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (0.98 Å) | Cite: | Metal-mediated affinity and orientation specificity in a computationally designed protein homodimer. J.Am.Chem.Soc., 134, 2012
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3V1E
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![BU of 3v1e by Molmil](/molmil-images/mine/3v1e) | Crystal structure of de novo designed MID1-zinc H12E mutant | Descriptor: | Computational design, MID1-zinc H12E mutant, ZINC ION | Authors: | Der, B.S, Machius, M, Miley, M.J, Kuhlman, B. | Deposit date: | 2011-12-09 | Release date: | 2012-01-11 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (1.073 Å) | Cite: | Metal-mediated affinity and orientation specificity in a computationally designed protein homodimer. J.Am.Chem.Soc., 134, 2012
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3B7V
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![BU of 3b7v by Molmil](/molmil-images/mine/3b7v) | HIV-1 protease complexed with gem-diol-amine tetrahedral intermediate NLLTQI | Descriptor: | CHLORIDE ION, GLYCEROL, Protease, ... | Authors: | Kovalevsky, A.Y, Chumanevich, A.A, Weber, I.T. | Deposit date: | 2007-10-31 | Release date: | 2007-12-18 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (1.46 Å) | Cite: | Caught in the Act: The 1.5 A Resolution Crystal Structures of the HIV-1 Protease and the I54V Mutant Reveal a Tetrahedral Reaction Intermediate. Biochemistry, 46, 2007
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7BUR
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![BU of 7bur by Molmil](/molmil-images/mine/7bur) | Chalcone synthase from Glycine max (L.) Merr (soybean) complexed with naringenin | Descriptor: | CITRIC ACID, Chalcone synthase 1, NARINGENIN | Authors: | Imaizumi, R, Mameda, R, Takeshita, K, Waki, T, Kubo, H, Sakai, N, Nakata, S, Takahashi, S, Kataoka, K, Yamamoto, M, Yamashita, S, Nakayama, T. | Deposit date: | 2020-04-08 | Release date: | 2020-08-19 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (1.82 Å) | Cite: | Crystal structure of chalcone synthase, a key enzyme for isoflavonoid biosynthesis in soybean. Proteins, 2020
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7BUS
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![BU of 7bus by Molmil](/molmil-images/mine/7bus) | Chalcone synthase from Glycine max (L.) Merr (soybean) | Descriptor: | Chalcone synthase | Authors: | Imaizumi, R, Mameda, R, Takeshita, K, Waki, T, Kubo, H, Sakai, N, Nakata, S, Takahashi, S, Kataoka, K, Yamamoto, M, Yamashita, S, Nakayama, T. | Deposit date: | 2020-04-08 | Release date: | 2020-08-19 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.52 Å) | Cite: | Crystal structure of chalcone synthase, a key enzyme for isoflavonoid biosynthesis in soybean. Proteins, 2020
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3PYP
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![BU of 3pyp by Molmil](/molmil-images/mine/3pyp) | PHOTOACTIVE YELLOW PROTEIN, CRYOTRAPPED EARLY LIGHT CYCLE INTERMEDIATE | Descriptor: | 4'-HYDROXYCINNAMIC ACID, PHOTOACTIVE YELLOW PROTEIN | Authors: | Genick, U.K, Soltis, S.M, Kuhn, P, Canestrelli, I.L, Getzoff, E.D. | Deposit date: | 1998-07-28 | Release date: | 1999-06-01 | Last modified: | 2023-08-09 | Method: | X-RAY DIFFRACTION (0.85 Å) | Cite: | Structure at 0.85 A resolution of an early protein photocycle intermediate. Nature, 392, 1998
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