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8RFN
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BU of 8rfn by Molmil
Human NOQ1 enzyme in its holo form by serial crystallography
分子名称: 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, FLAVIN-ADENINE DINUCLEOTIDE, NAD(P)H dehydrogenase [quinone] 1
著者Martin-Garcia, J.M, Grieco, A, Medina, M, Boneta, S, Pey, A.L.
登録日2023-12-13
公開日2024-05-29
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Structural dynamics and functional cooperativity of human NQO1 by ambient temperature serial crystallography and simulations.
Protein Sci., 33, 2024
6RD3
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BU of 6rd3 by Molmil
Crystal structure of the wild type OmpK36 from Klebsiella pneumonia
分子名称: (HYDROXYETHYLOXY)TRI(ETHYLOXY)OCTANE, MAGNESIUM ION, OmpK36
著者Beis, K, Romano, M, Kwong, J.
登録日2019-04-12
公開日2019-09-11
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.98 Å)
主引用文献OmpK36-mediated Carbapenem resistance attenuates ST258 Klebsiella pneumoniae in vivo.
Nat Commun, 10, 2019
6RCK
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BU of 6rck by Molmil
Crystal structure of the OmpK36 GD insertion chimera from Klebsiella pneumonia
分子名称: (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, ...
著者Beis, K, Romano, M, Kwong, J.
登録日2019-04-11
公開日2019-09-11
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (2.029 Å)
主引用文献OmpK36-mediated Carbapenem resistance attenuates ST258 Klebsiella pneumoniae in vivo.
Nat Commun, 10, 2019
6Z6Y
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BU of 6z6y by Molmil
Galectin-8 N-terminal domain in complex with a sulfatide mimicking a sphingolipid
分子名称: ACETATE ION, Galectin-8, TRIETHYLENE GLYCOL, ...
著者Romero, A, Medrano, F.J.
登録日2020-05-29
公開日2020-12-30
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.34 Å)
主引用文献Probing sulfatide-tissue lectin recognition with functionalized glycodendrimersomes.
Iscience, 24, 2021
5LXX
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BU of 5lxx by Molmil
High-resolution structure of human collapsin response mediator protein 2
分子名称: 2-[BIS-(2-HYDROXY-ETHYL)-AMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Dihydropyrimidinase-related protein 2, SULFATE ION
著者Myllykoski, M, Hensley, K, Kursula, P.
登録日2016-09-23
公開日2017-01-11
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.25 Å)
主引用文献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
7KHP
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BU of 7khp by Molmil
Acyl-enzyme intermediate structure of SARS-CoV-2 Mpro in complex with its C-terminal autoprocessing sequence.
分子名称: 3C-like proteinase, DIMETHYL SULFOXIDE
著者Lee, J, Worrall, L.J, Paetzel, M, Strynadka, N.C.J.
登録日2020-10-21
公開日2020-10-28
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献Crystallographic structure of wild-type SARS-CoV-2 main protease acyl-enzyme intermediate with physiological C-terminal autoprocessing site.
Nat Commun, 11, 2020
2HQU
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BU of 2hqu by Molmil
Human dUTPase in complex with alpha,beta-iminodUTP and magnesium ion
分子名称: 2'-DEOXYURIDINE 5'-ALPHA,BETA-IMIDO-TRIPHOSPHATE, CHLORIDE ION, Deoxyuridine 5'-triphosphate nucleotidohydrolase, ...
著者Barabas, O, Varga, B, Vertessy, B.G.
登録日2006-07-19
公開日2007-07-24
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Active site closure facilitates juxtaposition of reactant atoms for initiation of catalysis by human dUTPase.
Febs Lett., 581, 2007
4F4U
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BU of 4f4u by Molmil
The bicyclic intermediate structure provides insights into the desuccinylation mechanism of SIRT5
分子名称: NAD-dependent lysine demalonylase and desuccinylase sirtuin-5, mitochondrial, ZINC ION, ...
著者Zhou, Y, Hao, Q.
登録日2012-05-11
公開日2012-06-20
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献The Bicyclic Intermediate Structure Provides Insights into the Desuccinylation Mechanism of Human Sirtuin 5 (SIRT5)
J.Biol.Chem., 287, 2012
3DJ4
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BU of 3dj4 by Molmil
Crystal Structure of GlmU from Mycobacterium tuberculosis in complex with URIDINE-DIPHOSPHATE-N-ACETYLGLUCOSAMINE.
分子名称: Bifunctional protein glmU, COBALT (II) ION, MAGNESIUM ION, ...
著者Verma, S.K, Prakash, B.
登録日2008-06-22
公開日2009-05-19
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (2.38 Å)
主引用文献PknB-mediated phosphorylation of a novel substrate, N-acetylglucosamine-1-phosphate uridyltransferase, modulates its acetyltransferase activity.
J.Mol.Biol., 386, 2009
5E6E
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BU of 5e6e by Molmil
Crystal Structure of Carbonmonoxy Sickle Hemoglobin in R-State Conformation
分子名称: CARBON MONOXIDE, Hemoglobin subunit alpha, Hemoglobin subunit beta, ...
著者Safo, M.K, Ahmed, M.H.
登録日2015-10-09
公開日2015-10-28
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (1.76 Å)
主引用文献Crystal structure of carbonmonoxy sickle hemoglobin in R-state conformation.
J.Struct.Biol., 194, 2016
2XED
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BU of 2xed by Molmil
Nocardia farcinica maleate cis-trans isomerase C194S mutant with a covalently bound succinylcysteine intermediate
分子名称: PUTATIVE MALEATE ISOMERASE, SUCCINIC ACID
著者Fisch, F, Martinez-Fleites, C, Baudendistel, N, Hauer, B, Turkenburg, J.P, Hart, S, Bruce, N.C, Grogan, G.
登録日2010-05-13
公開日2010-08-18
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献A Covalent Succinylcysteine-Like Intermediate in the Enzyme-Catalyzed Transformation of Maleate to Fumarate by Maleate Isomerase.
J.Am.Chem.Soc., 132, 2010
3S1V
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BU of 3s1v by Molmil
Transaldolase from Thermoplasma acidophilum in complex with D-fructose 6-phosphate Schiff-base intermediate
分子名称: FRUCTOSE -6-PHOSPHATE, GLYCEROL, Probable transaldolase
著者Lehwess-Litzmann, A, Neumann, P, Parthier, C, Tittmann, K.
登録日2011-05-16
公開日2011-08-24
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Twisted Schiff base intermediates and substrate locale revise transaldolase mechanism.
Nat.Chem.Biol., 7, 2011
4F56
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BU of 4f56 by Molmil
The bicyclic intermediate structure provides insights into the desuccinylation mechanism of SIRT5
分子名称: 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, ...
著者Zhou, Y, Hao, Q.
登録日2012-05-11
公開日2012-06-20
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献The Bicyclic Intermediate Structure Provides Insights into the Desuccinylation Mechanism of Human Sirtuin 5 (SIRT5)
J.Biol.Chem., 287, 2012
6KMC
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BU of 6kmc by Molmil
Crystal structure of a Streptococcal protein G B1 mutant
分子名称: ACETIC ACID, Immunoglobulin G-binding protein G B1
著者Watanabe, H, Honda, S.
登録日2019-07-31
公開日2019-10-23
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.84 Å)
主引用文献Histidine-Mediated Intramolecular Electrostatic Repulsion for Controlling pH-Dependent Protein-Protein Interaction.
Acs Chem.Biol., 14, 2019
6E2Q
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BU of 6e2q by Molmil
Structure of human JAK2 FERM/SH2 in complex with Erythropoietin Receptor
分子名称: Erythropoietin receptor, Tyrosine-protein kinase JAK2
著者Ferrao, R, Lupardus, P.J.
登録日2018-07-11
公開日2018-08-08
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.65 Å)
主引用文献Receptor-mediated dimerization of JAK2 FERM domains is required for JAK2 activation.
Elife, 7, 2018
7DDB
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BU of 7ddb by Molmil
Crystal structure of fungal antifreeze protein with intermediate activity
分子名称: Antifreeze protein, MAGNESIUM ION
著者Khan, N.M.M.U, Arai, T, Tsuda, S, Kondo, H.
登録日2020-10-28
公開日2021-11-03
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.72 Å)
主引用文献Characterization of microbial antifreeze protein with intermediate activity suggests that a bound-water network is essential for hyperactivity.
Sci Rep, 11, 2021
7DC5
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BU of 7dc5 by Molmil
Crystal structure of fungal antifreeze protein with intermediate activity
分子名称: Antifreeze protein, SULFATE ION
著者Khan, N.M.M.U, Arai, T, Tsuda, S, Kondo, H.
登録日2020-10-23
公開日2021-10-27
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.54 Å)
主引用文献Characterization of microbial antifreeze protein with intermediate activity suggests that a bound-water network is essential for hyperactivity.
Sci Rep, 11, 2021
5MYD
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BU of 5myd by Molmil
Convergent evolution involving dimeric and trimeric dUTPases in signalling.
分子名称: 2'-DEOXYURIDINE 5'-ALPHA,BETA-IMIDO-TRIPHOSPHATE, DUTPase, MAGNESIUM ION
著者Donderis, J, Bowring, J, Maiques, E, Ciges-Tomas, J.R, Alite, C, Mehmedov, I, Tormo-Mas, M.A, Penades, J.R, Marina, A.
登録日2017-01-26
公開日2017-09-06
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Convergent evolution involving dimeric and trimeric dUTPases in pathogenicity island mobilization.
PLoS Pathog., 13, 2017
3ZIF
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BU of 3zif by Molmil
Cryo-EM structures of two intermediates provide insight into adenovirus assembly and disassembly
分子名称: HEXON PROTEIN, PENTON PROTEIN, PIX, ...
著者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.
登録日2013-01-09
公開日2014-01-22
最終更新日2024-05-08
実験手法ELECTRON MICROSCOPY (4.5 Å)
主引用文献Cryo-Em Structures of Two Bovine Adenovirus Type 3 Intermediates
Virology, 450, 2014
3V1A
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BU of 3v1a by Molmil
Crystal structure of de novo designed MID1-apo1
分子名称: Computational design, MID1-apo1
著者Der, B.S, Machius, M, Miley, M.J, Kuhlman, B.
登録日2011-12-09
公開日2012-01-11
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (0.98 Å)
主引用文献Metal-mediated affinity and orientation specificity in a computationally designed protein homodimer.
J.Am.Chem.Soc., 134, 2012
3V1E
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Crystal structure of de novo designed MID1-zinc H12E mutant
分子名称: Computational design, MID1-zinc H12E mutant, ZINC ION
著者Der, B.S, Machius, M, Miley, M.J, Kuhlman, B.
登録日2011-12-09
公開日2012-01-11
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (1.073 Å)
主引用文献Metal-mediated affinity and orientation specificity in a computationally designed protein homodimer.
J.Am.Chem.Soc., 134, 2012
3B7V
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BU of 3b7v by Molmil
HIV-1 protease complexed with gem-diol-amine tetrahedral intermediate NLLTQI
分子名称: CHLORIDE ION, GLYCEROL, Protease, ...
著者Kovalevsky, A.Y, Chumanevich, A.A, Weber, I.T.
登録日2007-10-31
公開日2007-12-18
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (1.46 Å)
主引用文献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
7BUR
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BU of 7bur by Molmil
Chalcone synthase from Glycine max (L.) Merr (soybean) complexed with naringenin
分子名称: CITRIC ACID, Chalcone synthase 1, NARINGENIN
著者Imaizumi, R, Mameda, R, Takeshita, K, Waki, T, Kubo, H, Sakai, N, Nakata, S, Takahashi, S, Kataoka, K, Yamamoto, M, Yamashita, S, Nakayama, T.
登録日2020-04-08
公開日2020-08-19
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.82 Å)
主引用文献Crystal structure of chalcone synthase, a key enzyme for isoflavonoid biosynthesis in soybean.
Proteins, 2020
7BUS
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Chalcone synthase from Glycine max (L.) Merr (soybean)
分子名称: Chalcone synthase
著者Imaizumi, R, Mameda, R, Takeshita, K, Waki, T, Kubo, H, Sakai, N, Nakata, S, Takahashi, S, Kataoka, K, Yamamoto, M, Yamashita, S, Nakayama, T.
登録日2020-04-08
公開日2020-08-19
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.52 Å)
主引用文献Crystal structure of chalcone synthase, a key enzyme for isoflavonoid biosynthesis in soybean.
Proteins, 2020
3PYP
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PHOTOACTIVE YELLOW PROTEIN, CRYOTRAPPED EARLY LIGHT CYCLE INTERMEDIATE
分子名称: 4'-HYDROXYCINNAMIC ACID, PHOTOACTIVE YELLOW PROTEIN
著者Genick, U.K, Soltis, S.M, Kuhn, P, Canestrelli, I.L, Getzoff, E.D.
登録日1998-07-28
公開日1999-06-01
最終更新日2023-08-09
実験手法X-RAY DIFFRACTION (0.85 Å)
主引用文献Structure at 0.85 A resolution of an early protein photocycle intermediate.
Nature, 392, 1998

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