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5PA7
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BU of 5pa7 by Molmil
humanized rat COMT in complex with 6-bromo-3-chloroquinolin-8-ol
Descriptor: 6-bromanyl-3-chloranyl-quinolin-8-ol, Catechol O-methyltransferase, MAGNESIUM ION, ...
Authors:Ehler, A, Lerner, C, Rudolph, M.G.
Deposit date:2016-10-19
Release date:2017-11-22
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (2.12 Å)
Cite: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
Descriptor: 1,2-ETHANEDIOL, 1,4-DIETHYLENE DIOXIDE, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, ...
Authors:Yang, X, Li, Z, Xu, X, Li, J.
Deposit date:2020-07-06
Release date:2021-07-14
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Mechanism and Structural Insights Into a Novel Esterase, E53, Isolated From Erythrobacter longus .
Front Microbiol, 12, 2021
3F72
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BU of 3f72 by Molmil
Crystal Structure of the Staphylococcus aureus pI258 CadC Metal Binding Site 2 Mutant
Descriptor: Cadmium efflux system accessory protein, SODIUM ION
Authors:Kandegedara, A, Thiyagarajan, S, Kondapalli, K.C, Stemmler, T.L, Rosen, B.P.
Deposit date:2008-11-07
Release date:2009-04-07
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (2.31 Å)
Cite: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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BU of 7cip by Molmil
Microbial Hormone-sensitive lipase E53 wild type
Descriptor: (4-nitrophenyl) hexanoate, 1,2-ETHANEDIOL, 1,4-DIETHYLENE DIOXIDE, ...
Authors:Yang, X, Li, Z, Xu, X, Li, J.
Deposit date:2020-07-08
Release date:2021-07-14
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.752 Å)
Cite:Microbial Hormone-sensitive lipase E53 wild type
To Be Published
6TX5
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BU of 6tx5 by Molmil
CRYSTAL STRUCTURE OF HUMAN FKBP51 FK1 DOMAIN A19T MUTANT IN COMPLEX WITH 4-METHYLIMIDAZOLE
Descriptor: 4-METHYLIMIDAZOLE, Peptidyl-prolyl cis-trans isomerase FKBP5, SODIUM ION
Authors:Fiegen, D, Draxler, S.W.
Deposit date:2020-01-13
Release date:2020-05-27
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.08 Å)
Cite:Hybrid Screening Approach for Very Small Fragments: X-ray and Computational Screening on FKBP51.
J.Med.Chem., 63, 2020
7CP5
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BU of 7cp5 by Molmil
Bovine heart cytochrome c oxidase in a catalytic intermediate of E at 1.76 angstrom resolution
Descriptor: (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, ...
Authors:Tsukihara, T, Shimada, A.
Deposit date:2020-08-06
Release date:2021-07-21
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.76 Å)
Cite: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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BU of 6u3a by Molmil
1.65 Angstrom crystal structure of the N97S Ca-CaM:CaV1.2 IQ domain complex
Descriptor: CALCIUM ION, Calmodulin-1, SODIUM ION, ...
Authors:Wang, K, Van Petegem, F.
Deposit date:2019-08-21
Release date:2020-02-19
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.65 Å)
Cite: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
Descriptor: 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'), ...
Authors:Ouzon-Shubeita, H, Vilas, C.K, Lee, S.
Deposit date:2019-08-29
Release date:2020-09-09
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (3.108 Å)
Cite: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
Descriptor: ACETATE ION, Putative dehydrogenase, SODIUM ION
Authors:Stein, A.J, Evdokimova, E, Egorova, O, Savchenko, A, Joachimiak, A, Midwest Center for Structural Genomics (MCSG)
Deposit date:2010-03-04
Release date:2010-03-23
Last modified:2021-10-13
Method:X-RAY DIFFRACTION (2 Å)
Cite: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
Descriptor: Anthranilate phosphoribosyltransferase, CHLORIDE ION, SODIUM ION, ...
Authors:Perveen, S, Rashid, N, Papageorgiou, A.C.
Deposit date:2017-04-12
Release date:2017-11-29
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (2.42 Å)
Cite: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
Descriptor: CHLORIDE ION, N-(5'-phosphoribosyl)anthranilate isomerase, SODIUM ION
Authors:Perveen, S, Rashid, N, Papageorgiou, A.C.
Deposit date:2016-07-11
Release date:2016-11-09
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.75 Å)
Cite: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
Descriptor: 1,2-ETHANEDIOL, CITRATE ANION, Formyltetrahydrofolate deformylase, ...
Authors:Joint Center for Structural Genomics (JCSG)
Deposit date:2010-06-30
Release date:2010-07-28
Last modified:2023-02-01
Method:X-RAY DIFFRACTION (2.05 Å)
Cite: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
Descriptor: ADENOSINE MONOPHOSPHATE, MAGNESIUM ION, NH(3)-dependent NAD(+) synthetase, ...
Authors:Sorci, L, Martynowski, D, Eyobo, Y, Osterman, A.L, Zhang, H.
Deposit date:2008-12-12
Release date:2009-03-03
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (1.85 Å)
Cite: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
Descriptor: C3-3 cyclic peptide design, CADMIUM ION, SODIUM ION
Authors:Mulligan, V.K, Kang, C.S, Antselovich, I, Sawaya, M.R, Yeates, T.O, Baker, D.
Deposit date:2019-09-26
Release date:2020-12-02
Method:X-RAY DIFFRACTION (0.9 Å)
Cite: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
Descriptor: (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, ...
Authors:Tsukihara, T, Shimada, A.
Deposit date:2020-09-28
Release date:2021-07-21
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.74 Å)
Cite: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
Descriptor: (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, ...
Authors:Tsukihara, T, Shimada, A.
Deposit date:2020-09-28
Release date:2021-07-21
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.84 Å)
Cite: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
Descriptor: CITRATE ANION, GLYCEROL, SENSOR KINASE CITA, ...
Authors:Sevvana, M, Vijayan, V, Zweckstetter, M, Reinelt, S, Madden, D.R, Sheldrick, G.M, Bott, M, Griesinger, C, Becker, S.
Deposit date:2006-10-18
Release date:2007-10-23
Last modified:2019-05-08
Method:X-RAY DIFFRACTION (1.6 Å)
Cite: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
Descriptor: ACETATE ION, SODIUM ION, Spike glycoprotein
Authors:Liu, J.
Deposit date:2006-09-19
Release date:2007-01-09
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (1.747 Å)
Cite:Core Structure of S2 from the Human Coronavirus NL63 Spike Glycoprotein
Biochemistry, 45, 2006
6VCG
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BU of 6vcg by Molmil
Crystal structure of Nitrosotalea devanaterra carotenoid cleavage dioxygenase, cobalt form
Descriptor: CHLORIDE ION, COBALT (II) ION, SODIUM ION, ...
Authors:Daruwalla, A, Shi, W, Kiser, P.D.
Deposit date:2019-12-20
Release date:2020-07-08
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.3 Å)
Cite: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
Descriptor: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, CHLORIDE ION, DI(HYDROXYETHYL)ETHER, ...
Authors:Przydacz, M, Grabe, G.J, Holden, D.W, Hare, S.A.
Deposit date:2016-08-16
Release date:2016-11-02
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.6 Å)
Cite: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
Descriptor: 3-oxoacyl-[acyl-carrier-protein] synthase 1, SODIUM ION, TETRAETHYLENE GLYCOL, ...
Authors:Chung, C.W, Neu, M.
Deposit date:2016-06-23
Release date:2016-09-21
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (2.13 Å)
Cite: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
Descriptor: 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', ...
Authors:Sucato, C.A, Upton, T.G, Kashemirov, B.A, Martinek, V, Xiang, Y, Beard, W.A.
Deposit date:2006-10-18
Release date:2007-01-30
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2.2 Å)
Cite: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
Descriptor: (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, ...
Authors:thoden, J.B, holden, H.M.
Deposit date:2010-04-28
Release date:2010-05-12
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (1.43 Å)
Cite: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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BU of 6uxc by Molmil
1.65A resolution structure of the hypothetical protein CT253 from Chlamydia trachomatis
Descriptor: CT253, SODIUM ION
Authors:Barta, M.L, Lovell, S, Battaile, K.P, Hefty, P.S.
Deposit date:2019-11-07
Release date:2020-11-11
Method:X-RAY DIFFRACTION (1.65 Å)
Cite:1.65A resolution structure of the hypothetical protein CT253 from Chlamydia trachomatis
To be published
2JC4
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BU of 2jc4 by Molmil
3'-5' exonuclease (NExo) from Neisseria Meningitidis
Descriptor: ACETATE ION, DIHYDROGENPHOSPHATE ION, EXODEOXYRIBONUCLEASE III, ...
Authors: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.
Deposit date:2006-12-19
Release date:2007-03-06
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Ap Endonuclease Paralogues with Distinct Activities in DNA Repair and Bacterial Pathogenesis.
Embo J., 26, 2007

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