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5PA7
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humanized rat COMT in complex with 6-bromo-3-chloroquinolin-8-ol
分子名称: 6-bromanyl-3-chloranyl-quinolin-8-ol, Catechol O-methyltransferase, MAGNESIUM ION, ...
著者Ehler, A, Lerner, C, Rudolph, M.G.
登録日2016-10-19
公開日2017-11-22
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (2.12 Å)
主引用文献Crystal Structure of a COMT complex
To be published
7CI0
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BU of 7ci0 by Molmil
Microbial Hormone-sensitive lipase E53 mutant S162A
分子名称: 1,2-ETHANEDIOL, 1,4-DIETHYLENE DIOXIDE, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, ...
著者Yang, X, Li, Z, Xu, X, Li, J.
登録日2020-07-06
公開日2021-07-14
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Mechanism and Structural Insights Into a Novel Esterase, E53, Isolated From Erythrobacter longus .
Front Microbiol, 12, 2021
3F72
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Crystal Structure of the Staphylococcus aureus pI258 CadC Metal Binding Site 2 Mutant
分子名称: Cadmium efflux system accessory protein, SODIUM ION
著者Kandegedara, A, Thiyagarajan, S, Kondapalli, K.C, Stemmler, T.L, Rosen, B.P.
登録日2008-11-07
公開日2009-04-07
最終更新日2023-12-27
実験手法X-RAY DIFFRACTION (2.31 Å)
主引用文献Role of bound Zn(II) in the CadC Cd(II)/Pb(II)/Zn(II)-responsive repressor.
J.Biol.Chem., 284, 2009
7CIP
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Microbial Hormone-sensitive lipase E53 wild type
分子名称: (4-nitrophenyl) hexanoate, 1,2-ETHANEDIOL, 1,4-DIETHYLENE DIOXIDE, ...
著者Yang, X, Li, Z, Xu, X, Li, J.
登録日2020-07-08
公開日2021-07-14
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.752 Å)
主引用文献Microbial Hormone-sensitive lipase E53 wild type
To Be Published
6TX5
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CRYSTAL STRUCTURE OF HUMAN FKBP51 FK1 DOMAIN A19T MUTANT IN COMPLEX WITH 4-METHYLIMIDAZOLE
分子名称: 4-METHYLIMIDAZOLE, Peptidyl-prolyl cis-trans isomerase FKBP5, SODIUM ION
著者Fiegen, D, Draxler, S.W.
登録日2020-01-13
公開日2020-05-27
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.08 Å)
主引用文献Hybrid Screening Approach for Very Small Fragments: X-ray and Computational Screening on FKBP51.
J.Med.Chem., 63, 2020
7CP5
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Bovine heart cytochrome c oxidase in a catalytic intermediate of E at 1.76 angstrom resolution
分子名称: (1R)-2-{[{[(2S)-2,3-DIHYDROXYPROPYL]OXY}(HYDROXY)PHOSPHORYL]OXY}-1-[(PALMITOYLOXY)METHYL]ETHYL (11E)-OCTADEC-11-ENOATE, (1S)-2-{[(2-AMINOETHOXY)(HYDROXY)PHOSPHORYL]OXY}-1-[(STEAROYLOXY)METHYL]ETHYL (5E,8E,11E,14E)-ICOSA-5,8,11,14-TETRAENOATE, (7R,17E,20E)-4-HYDROXY-N,N,N-TRIMETHYL-9-OXO-7-[(PALMITOYLOXY)METHYL]-3,5,8-TRIOXA-4-PHOSPHAHEXACOSA-17,20-DIEN-1-AMINIUM 4-OXIDE, ...
著者Tsukihara, T, Shimada, A.
登録日2020-08-06
公開日2021-07-21
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.76 Å)
主引用文献Critical roles of the Cu B site in efficient proton pumping as revealed by crystal structures of mammalian cytochrome c oxidase catalytic intermediates.
J.Biol.Chem., 297, 2021
6U3A
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1.65 Angstrom crystal structure of the N97S Ca-CaM:CaV1.2 IQ domain complex
分子名称: CALCIUM ION, Calmodulin-1, SODIUM ION, ...
著者Wang, K, Van Petegem, F.
登録日2019-08-21
公開日2020-02-19
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.65 Å)
主引用文献Arrhythmia mutations in calmodulin can disrupt cooperativity of Ca2+binding and cause misfolding.
J. Physiol. (Lond.), 598, 2020
6U6B
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BU of 6u6b by Molmil
Structure of human DNA polymerase beta misinserting dAMPNPP opposite the 5'G of the cisplatin Pt-GG intrastrand crosslink with Manganese in the active site
分子名称: 2'-deoxy-5'-O-[(R)-hydroxy{[(R)-hydroxy(phosphonooxy)phosphoryl]amino}phosphoryl]adenosine, Cisplatin, DNA (5'-D(*CP*CP*CP*AP*CP*GP*GP*CP*CP*CP*AP*TP*CP*AP*CP*C)-3'), ...
著者Ouzon-Shubeita, H, Vilas, C.K, Lee, S.
登録日2019-08-29
公開日2020-09-09
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (3.108 Å)
主引用文献Structural insights into the promutagenic bypass of the major cisplatin-induced DNA lesion.
Biochem.J., 477, 2020
3M1A
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BU of 3m1a by Molmil
The Crystal Structure of a Short-chain Dehydrogenase from Streptomyces avermitilis to 2A
分子名称: ACETATE ION, Putative dehydrogenase, SODIUM ION
著者Stein, A.J, Evdokimova, E, Egorova, O, Savchenko, A, Joachimiak, A, Midwest Center for Structural Genomics (MCSG)
登録日2010-03-04
公開日2010-03-23
最終更新日2021-10-13
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献The Crystal Structure of a Short-chain Dehydrogenase from Streptomyces avermitilis to 2A
To be Published
5NOF
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BU of 5nof by Molmil
Anthranilate phosphoribosyltransferase from Thermococcus kodakaraensis
分子名称: Anthranilate phosphoribosyltransferase, CHLORIDE ION, SODIUM ION, ...
著者Perveen, S, Rashid, N, Papageorgiou, A.C.
登録日2017-04-12
公開日2017-11-29
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (2.42 Å)
主引用文献Anthranilate phosphoribosyltransferase from the hyperthermophilic archaeon Thermococcus kodakarensis shows maximum activity with zinc and forms a unique dimeric structure.
FEBS Open Bio, 7, 2017
5LHF
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BU of 5lhf by Molmil
Phosphoribosyl anthranilate isomerase from Thermococcus kodakaraensis
分子名称: CHLORIDE ION, N-(5'-phosphoribosyl)anthranilate isomerase, SODIUM ION
著者Perveen, S, Rashid, N, Papageorgiou, A.C.
登録日2016-07-11
公開日2016-11-09
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.75 Å)
主引用文献Crystal structure of a phosphoribosyl anthranilate isomerase from the hyperthermophilic archaeon Thermococcus kodakaraensis.
Acta Crystallogr F Struct Biol Commun, 72, 2016
3NRB
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BU of 3nrb by Molmil
Crystal structure of a formyltetrahydrofolate deformylase (purU, PP_1943) from PSEUDOMONAS PUTIDA KT2440 at 2.05 A resolution
分子名称: 1,2-ETHANEDIOL, CITRATE ANION, Formyltetrahydrofolate deformylase, ...
著者Joint Center for Structural Genomics (JCSG)
登録日2010-06-30
公開日2010-07-28
最終更新日2023-02-01
実験手法X-RAY DIFFRACTION (2.05 Å)
主引用文献Crystal structure of a formyltetrahydrofolate deformylase (purU, PP_1943) from PSEUDOMONAS PUTIDA KT2440 at 2.05 A resolution
To be published
3FIU
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BU of 3fiu by Molmil
Structure of NMN synthetase from Francisella tularensis
分子名称: ADENOSINE MONOPHOSPHATE, MAGNESIUM ION, NH(3)-dependent NAD(+) synthetase, ...
著者Sorci, L, Martynowski, D, Eyobo, Y, Osterman, A.L, Zhang, H.
登録日2008-12-12
公開日2009-03-03
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献Nicotinamide mononucleotide synthetase is the key enzyme for an alternative route of NAD biosynthesis in Francisella tularensis
Proc.Natl.Acad.Sci.USA, 106, 2009
6UGC
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BU of 6ugc by Molmil
C3 symmetric peptide design number 3
分子名称: C3-3 cyclic peptide design, CADMIUM ION, SODIUM ION
著者Mulligan, V.K, Kang, C.S, Antselovich, I, Sawaya, M.R, Yeates, T.O, Baker, D.
登録日2019-09-26
公開日2020-12-02
実験手法X-RAY DIFFRACTION (0.9 Å)
主引用文献Computational design of mixed chirality peptide macrocycles with internal symmetry.
Protein Sci., 29, 2020
7D5X
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BU of 7d5x by Molmil
Bovine heart cytochrome c oxidase in a catalytic intermediate, IO10, at 1.74 angstrom resolution
分子名称: (1R)-2-{[{[(2S)-2,3-DIHYDROXYPROPYL]OXY}(HYDROXY)PHOSPHORYL]OXY}-1-[(PALMITOYLOXY)METHYL]ETHYL (11E)-OCTADEC-11-ENOATE, (1S)-2-{[(2-AMINOETHOXY)(HYDROXY)PHOSPHORYL]OXY}-1-[(STEAROYLOXY)METHYL]ETHYL (5E,8E,11E,14E)-ICOSA-5,8,11,14-TETRAENOATE, (7R,17E,20E)-4-HYDROXY-N,N,N-TRIMETHYL-9-OXO-7-[(PALMITOYLOXY)METHYL]-3,5,8-TRIOXA-4-PHOSPHAHEXACOSA-17,20-DIEN-1-AMINIUM 4-OXIDE, ...
著者Tsukihara, T, Shimada, A.
登録日2020-09-28
公開日2021-07-21
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.74 Å)
主引用文献Critical roles of the Cu B site in efficient proton pumping as revealed by crystal structures of mammalian cytochrome c oxidase catalytic intermediates.
J.Biol.Chem., 297, 2021
7D5W
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BU of 7d5w by Molmil
Bovine heart cytochrome c oxidase in a catalytic intermediate of O at 1.84 angstrom resolution
分子名称: (1R)-2-{[{[(2S)-2,3-DIHYDROXYPROPYL]OXY}(HYDROXY)PHOSPHORYL]OXY}-1-[(PALMITOYLOXY)METHYL]ETHYL (11E)-OCTADEC-11-ENOATE, (1S)-2-{[(2-AMINOETHOXY)(HYDROXY)PHOSPHORYL]OXY}-1-[(STEAROYLOXY)METHYL]ETHYL (5E,8E,11E,14E)-ICOSA-5,8,11,14-TETRAENOATE, (7R,17E,20E)-4-HYDROXY-N,N,N-TRIMETHYL-9-OXO-7-[(PALMITOYLOXY)METHYL]-3,5,8-TRIOXA-4-PHOSPHAHEXACOSA-17,20-DIEN-1-AMINIUM 4-OXIDE, ...
著者Tsukihara, T, Shimada, A.
登録日2020-09-28
公開日2021-07-21
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.84 Å)
主引用文献Critical roles of the Cu B site in efficient proton pumping as revealed by crystal structures of mammalian cytochrome c oxidase catalytic intermediates.
J.Biol.Chem., 297, 2021
2J80
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BU of 2j80 by Molmil
Structure of Citrate-bound Periplasmic Domain of Sensor Histidine Kinase CitA
分子名称: CITRATE ANION, GLYCEROL, SENSOR KINASE CITA, ...
著者Sevvana, M, Vijayan, V, Zweckstetter, M, Reinelt, S, Madden, D.R, Sheldrick, G.M, Bott, M, Griesinger, C, Becker, S.
登録日2006-10-18
公開日2007-10-23
最終更新日2019-05-08
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献A Ligand-Induced Switch in the Periplasmic Domain of Sensor Histidine Kinase Cita.
J.Mol.Biol., 377, 2008
2IEQ
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BU of 2ieq by Molmil
Core Structure of S2 from the Human Coronavirus NL63 Spike Glycoprotein
分子名称: ACETATE ION, SODIUM ION, Spike glycoprotein
著者Liu, J.
登録日2006-09-19
公開日2007-01-09
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (1.747 Å)
主引用文献Core Structure of S2 from the Human Coronavirus NL63 Spike Glycoprotein
Biochemistry, 45, 2006
6VCG
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Crystal structure of Nitrosotalea devanaterra carotenoid cleavage dioxygenase, cobalt form
分子名称: CHLORIDE ION, COBALT (II) ION, SODIUM ION, ...
著者Daruwalla, A, Shi, W, Kiser, P.D.
登録日2019-12-20
公開日2020-07-08
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Structural basis for carotenoid cleavage by an archaeal carotenoid dioxygenase.
Proc.Natl.Acad.Sci.USA, 117, 2020
5LQ7
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BU of 5lq7 by Molmil
Salmonella effector SpvD - G161 variant
分子名称: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, CHLORIDE ION, DI(HYDROXYETHYL)ETHER, ...
著者Przydacz, M, Grabe, G.J, Holden, D.W, Hare, S.A.
登録日2016-08-16
公開日2016-11-02
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献The Salmonella Effector SpvD Is a Cysteine Hydrolase with a Serovar-specific Polymorphism Influencing Catalytic Activity, Suppression of Immune Responses, and Bacterial Virulence.
J. Biol. Chem., 291, 2016
5LD8
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BU of 5ld8 by Molmil
GSK3011724A cocrystallised with Mycobacterium tuberculosis H37Rv KasA
分子名称: 3-oxoacyl-[acyl-carrier-protein] synthase 1, SODIUM ION, TETRAETHYLENE GLYCOL, ...
著者Chung, C.W, Neu, M.
登録日2016-06-23
公開日2016-09-21
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (2.13 Å)
主引用文献Identification of KasA as the cellular target of an anti-tubercular scaffold.
Nat Commun, 7, 2016
2ISP
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BU of 2isp by Molmil
Ternary complex of DNA Polymerase beta with a dideoxy terminated primer and 2'-deoxyguanosine 5'-beta, gamma-methylene triphosphate
分子名称: 2'-DEOXY-5'-O-(HYDROXY{[HYDROXY(PHOSPHONOMETHYL)PHOSPHORYL]OXY}PHOSPHORYL)GUANOSINE, 5'-D(*CP*CP*GP*AP*CP*CP*GP*CP*GP*CP*AP*TP*CP*AP*GP*C)-3', 5'-D(*GP*CP*TP*GP*AP*TP*GP*CP*GP*(DOC))-3', ...
著者Sucato, C.A, Upton, T.G, Kashemirov, B.A, Martinek, V, Xiang, Y, Beard, W.A.
登録日2006-10-18
公開日2007-01-30
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Modifying the beta,gamma Leaving-Group Bridging Oxygen Alters Nucleotide Incorporation Efficiency, Fidelity, and the Catalytic Mechanism of DNA Polymerase beta.
Biochemistry, 46, 2007
3MQH
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BU of 3mqh by Molmil
crystal structure of the 3-N-acetyl transferase WlbB from Bordetella petrii in complex with CoA and UDP-3-amino-2-acetamido-2,3-dideoxy glucuronic acid
分子名称: (2S,3S,4R,5R,6R)-5-(acetylamino)-4-amino-6-{[(R)-{[(R)-{[(2R,3S,4R,5R)-5-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methoxy}(hydroxy)phosphoryl]oxy}(hydroxy)phosphoryl]oxy}-3-hydroxytetrahydro-2H-pyran-2-carboxylic acid, 1,2-ETHANEDIOL, 2-{2-[2-(2-{2-[2-(2-ETHOXY-ETHOXY)-ETHOXY]-ETHOXY}-ETHOXY)-ETHOXY]-ETHOXY}-ETHANOL, ...
著者thoden, J.B, holden, H.M.
登録日2010-04-28
公開日2010-05-12
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (1.43 Å)
主引用文献Molecular structure of WlbB, a bacterial N-acetyltransferase involved in the biosynthesis of 2,3-diacetamido-2,3-dideoxy-D-mannuronic acid .
Biochemistry, 49, 2010
6UXC
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1.65A resolution structure of the hypothetical protein CT253 from Chlamydia trachomatis
分子名称: CT253, SODIUM ION
著者Barta, M.L, Lovell, S, Battaile, K.P, Hefty, P.S.
登録日2019-11-07
公開日2020-11-11
実験手法X-RAY DIFFRACTION (1.65 Å)
主引用文献1.65A resolution structure of the hypothetical protein CT253 from Chlamydia trachomatis
To be published
2JC4
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3'-5' exonuclease (NExo) from Neisseria Meningitidis
分子名称: ACETATE ION, DIHYDROGENPHOSPHATE ION, EXODEOXYRIBONUCLEASE III, ...
著者Carpenter, E.P, Corbett, A, Thomson, H, Adacha, J, Jensen, K, Bergeron, J, Kasampalidis, I, Exley, R, Winterbotham, M, Tang, C, Baldwin, G, Freemont, P.
登録日2006-12-19
公開日2007-03-06
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Ap Endonuclease Paralogues with Distinct Activities in DNA Repair and Bacterial Pathogenesis.
Embo J., 26, 2007

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