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1B25
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BU of 1b25 by Molmil
FORMALDEHYDE FERREDOXIN OXIDOREDUCTASE FROM PYROCOCCUS FURIOSUS
分子名称: IRON/SULFUR CLUSTER, PROTEIN (FORMALDEHYDE FERREDOXIN OXIDOREDUCTASE), TUNGSTOPTERIN
著者Hu, Y.L, Faham, S, Roy, R, Adams, M.W.W, Rees, D.C.
登録日1998-12-04
公開日1999-03-24
最終更新日2023-08-09
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献Formaldehyde ferredoxin oxidoreductase from Pyrococcus furiosus: the 1.85 A resolution crystal structure and its mechanistic implications.
J.Mol.Biol., 286, 1999
1B4N
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BU of 1b4n by Molmil
FORMALDEHYDE FERREDOXIN OXIDOREDUCTASE FROM PYROCOCCUS FURIOSUS, COMPLEXED WITH GLUTARATE
分子名称: CALCIUM ION, FORMALDEHYDE FERREDOXIN OXIDOREDUCTASE, GLUTARIC ACID, ...
著者Hu, Y.L, Faham, S, Roy, R, Adams, M.W.W, Rees, D.C.
登録日1998-12-24
公開日1999-05-18
最終更新日2024-05-22
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Formaldehyde ferredoxin oxidoreductase from Pyrococcus furiosus: the 1.85 A resolution crystal structure and its mechanistic implications.
J.Mol.Biol., 286, 1999
4XLY
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BU of 4xly by Molmil
The complex structure of KS-D75C with substrate CPP
分子名称: (2E)-3-methyl-5-[(1R,4aR,8aR)-5,5,8a-trimethyl-2-methylidenedecahydronaphthalen-1-yl]pent-2-en-1-yl trihydrogen diphosphate, Uncharacterized protein blr2150
著者Hu, Y, Zheng, Y, Ko, T.P, Liu, W, Guo, R.T.
登録日2015-01-14
公開日2015-02-04
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (1.82 Å)
主引用文献Structure, function and inhibition of ent-kaurene synthase from Bradyrhizobium japonicum.
Sci Rep, 4, 2014
4XLX
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BU of 4xlx by Molmil
Crystal structure of BjKS from Bradyrhizobium japonicum
分子名称: Uncharacterized protein blr2150
著者Hu, Y, Zheng, Y, Ko, T.P, Liu, W, Guo, R.T.
登録日2015-01-14
公開日2015-02-04
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Structure, function and inhibition of ent-kaurene synthase from Bradyrhizobium japonicum.
Sci Rep, 4, 2014
4RGY
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BU of 4rgy by Molmil
Structural and functional analysis of a low-temperature-active alkaline esterase from South China Sea marine sediment microbial metagenomic library
分子名称: Esterase
著者Liu, Y.
登録日2014-10-01
公開日2015-09-16
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.4 Å)
主引用文献Structural and functional analysis of a low-temperature-active alkaline esterase from South China Sea marine sediment microbial metagenomic library.
J Ind Microbiol Biotechnol, 42, 2015
4OVA
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BU of 4ova by Molmil
Structure of the two tandem Tudor domains and a new identified KH0 domain from human Fragile X Mental Retardation Protein
分子名称: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Fragile X mental retardation protein 1
著者Chen, Z.H, Chen, Z.Z.
登録日2014-02-21
公開日2015-02-25
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (3 Å)
主引用文献The amino-terminal structure of human fragile X mental retardation protein obtained using precipitant-immobilized imprinted polymers
Nat Commun, 6, 2015
7VQ6
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BU of 7vq6 by Molmil
Structure of a specialized glyoxalase from Gossypium hirsutum
分子名称: Lactoylglutathione lyase, NICKEL (II) ION
著者Li, H, Hu, Y.M, Dai, L.H, Chen, C.C, Huang, J.W, Liu, W.D, Guo, R.T.
登録日2021-10-19
公開日2022-07-27
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.39 Å)
主引用文献Crystal structure and biochemical analysis of the specialized deoxynivalenol-detoxifying glyoxalase SPG from Gossypium hirsutum.
Int.J.Biol.Macromol., 200, 2022
6M1J
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BU of 6m1j by Molmil
The DNA Gyrase B ATP binding domain of PSEUDOMONAS AERUGINOSA in complex with compound 12x
分子名称: 1-[5-[6-fluoranyl-8-(methylamino)-4-[3-(trifluoromethyl)pyrazol-1-yl]-9H-pyrido[2,3-b]indol-3-yl]pyrimidin-2-yl]cyclopropane-1-carboxylic acid, DIMETHYL SULFOXIDE, DNA gyrase subunit B, ...
著者Xu, Z.H, Zhou, Z.
登録日2020-02-26
公開日2020-09-02
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.701 Å)
主引用文献Discovery of Pyrido[2,3-b]indole Derivatives with Gram-Negative Activity Targeting Both DNA Gyrase and Topoisomerase IV.
J.Med.Chem., 63, 2020
6M1S
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BU of 6m1s by Molmil
The DNA Gyrase B ATP binding domain of PSEUDOMONAS AERUGINOSA in complex with compound 12o
分子名称: 3-[5-[8-(ethylamino)-6-fluoranyl-4-[3-(trifluoromethyl)pyrazol-1-yl]-9H-pyrido[2,3-b]indol-3-yl]pyrimidin-2-yl]oxy-2,2-dimethyl-propanoic acid, CHLORIDE ION, DNA gyrase subunit B, ...
著者Xu, Z.H, Zhou, Z.
登録日2020-02-26
公開日2020-09-02
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.254 Å)
主引用文献Discovery of Pyrido[2,3-b]indole Derivatives with Gram-Negative Activity Targeting Both DNA Gyrase and Topoisomerase IV.
J.Med.Chem., 63, 2020
7BTK
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BU of 7btk by Molmil
E.coli beta-galactosidase (E537Q) in complex with fluorescent probe KSA01
分子名称: 4-[[2-[(E)-2-[4-[(2S,3R,4S,5R,6R)-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxyphenyl]ethenyl]-3,3-dimethyl-2H-indol-1-yl]methyl]benzoic acid, Beta-galactosidase, DIMETHYL SULFOXIDE, ...
著者Chen, X, Hu, Y.L, Liu, Q.M, Gao, Y, Yuan, R, Guo, Y.
登録日2020-04-01
公開日2021-03-03
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献Two-Dimensional Design Strategy to Construct Smart Fluorescent Probes for the Precise Tracking of Senescence.
Angew.Chem.Int.Ed.Engl., 60, 2021
7BRS
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BU of 7brs by Molmil
E.coli beta-galactosidase (E537Q) in complex with fluorescent probe KSA02
分子名称: 8-[2-[(E)-2-[4-[(2S,3R,4S,5R,6R)-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxyphenyl]ethenyl]-3,3-dimethyl-indol-1-ium-1-yl]octanoic acid, Beta-galactosidase, DIMETHYL SULFOXIDE, ...
著者Chen, X, Hu, Y.L, Gao, Y, Yuan, R, Guo, Y.
登録日2020-03-30
公開日2021-03-03
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.67 Å)
主引用文献Two-Dimensional Design Strategy to Construct Smart Fluorescent Probes for the Precise Tracking of Senescence.
Angew.Chem.Int.Ed.Engl., 60, 2021
5JDK
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BU of 5jdk by Molmil
Crystal structure of the DNA binding domain of Sap1 in fission yeast S.pombe
分子名称: GLYCEROL, Switch-activating protein 1
著者He, P, Wang, T.
登録日2016-04-17
公開日2017-02-22
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (0.998 Å)
主引用文献Sap1 is a replication-initiation factor essential for the assembly of pre-replicative complex in the fission yeast Schizosaccharomyces pombe.
J. Biol. Chem., 292, 2017
5KZF
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BU of 5kzf by Molmil
Crystal structure of near full-length hexameric Mycobacterium tuberculosis proteasomal ATPase Mpa in apo form
分子名称: Proteasome-associated ATPase
著者Li, H, Hu, K, Yang, S, Bai, L.
登録日2016-07-25
公開日2017-05-17
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (3.49 Å)
主引用文献Mycobacterium tuberculosis proteasomal ATPase Mpa has a beta-grasp domain that hinders docking with the proteasome core protease.
Mol. Microbiol., 105, 2017
6WTT
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BU of 6wtt by Molmil
Crystals Structure of the SARS-CoV-2 (COVID-19) main protease with inhibitor GC-376
分子名称: (1R,2S)-2-({N-[(benzyloxy)carbonyl]-L-leucyl}amino)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propane-1-sulfonic acid, (1S,2S)-2-({N-[(benzyloxy)carbonyl]-L-leucyl}amino)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propane-1-sulfonic acid, 3C-like proteinase, ...
著者Sacco, M, Ma, C, Chen, Y, Wang, J.
登録日2020-05-03
公開日2020-05-20
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.15 Å)
主引用文献Boceprevir, GC-376, and calpain inhibitors II, XII inhibit SARS-CoV-2 viral replication by targeting the viral main protease.
Cell Res., 30, 2020
5KWA
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BU of 5kwa by Molmil
complete structure of the Mycobacterium tuberculosis proteasomal ATPase Mpa
分子名称: ADENOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, Proteasome-associated ATPase
著者Wang, T, WU, Y.J.
登録日2016-07-17
公開日2017-06-07
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (2.9 Å)
主引用文献Mycobacterium tuberculosis proteasomal ATPase Mpa has a beta-grasp domain that hinders docking with the proteasome core protease
Mol. Microbiol., 105, 2017
6XOG
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BU of 6xog by Molmil
Structure of SUMO1-ML786519 adduct bound to SAE
分子名称: SULFATE ION, SUMO-activating enzyme subunit 1, SUMO-activating enzyme subunit 2, ...
著者Sintchak, M, Lane, W, Bump, N.
登録日2020-07-07
公開日2021-03-10
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.98 Å)
主引用文献Discovery of TAK-981, a First-in-Class Inhibitor of SUMO-Activating Enzyme for the Treatment of Cancer.
J.Med.Chem., 64, 2021
6XOH
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BU of 6xoh by Molmil
Structure of SUMO1-ML00789344 adduct bound to SAE
分子名称: SULFATE ION, SUMO-activating enzyme subunit 1, SUMO-activating enzyme subunit 2, ...
著者Sintchak, M, Lane, W, Bump, N.
登録日2020-07-07
公開日2021-03-24
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.226 Å)
主引用文献Discovery of TAK-981, a First-in-Class Inhibitor of SUMO-Activating Enzyme for the Treatment of Cancer.
J.Med.Chem., 64, 2021
6XOI
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Structure of SUMO1-ML00752641 adduct bound to SAE
分子名称: SULFATE ION, SUMO-activating enzyme subunit 1, SUMO-activating enzyme subunit 2, ...
著者Sintchak, M, Lane, W, Bump, N.
登録日2020-07-07
公開日2021-03-24
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Discovery of TAK-981, a First-in-Class Inhibitor of SUMO-Activating Enzyme for the Treatment of Cancer.
J.Med.Chem., 64, 2021
7KW1
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Structure of hSTING in complex with novel carbocyclic pyrimidine CDN-3
分子名称: (2R,5R,7R,8R,10R,12aR,14R,15aS,16R)-7-(2-amino-6-oxo-1,6-dihydro-9H-purin-9-yl)-16-hydroxy-14-[(pyrimidin-4-yl)oxy]-2,10-disulfanyldecahydro-2H,10H-5,8-methano-2lambda~5~,10lambda~5~-cyclopenta[l][1,3,6,9,11,2,10]pentaoxadiphosphacyclotetradecine-2,10-dione, Stimulator of interferon genes protein
著者Skene, R.
登録日2020-11-29
公開日2021-06-02
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Identification of Novel Carbocyclic Pyrimidine Cyclic Dinucleotide STING Agonists for Antitumor Immunotherapy Using Systemic Intravenous Route.
J.Med.Chem., 64, 2021
7KVX
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Structure of hSTING in complex with novel carbocyclic pyrimidine CDN 1
分子名称: (2R,5R,7R,8R,10R,12aR,14R,15aS,16R)-7-(2-amino-6-oxo-1,6-dihydro-9H-purin-9-yl)-16-hydroxy-14-[(pyrimidin-4-yl)amino]-2,10-disulfanyldecahydro-2H,10H-5,8-methano-2lambda~5~,10lambda~5~-cyclopenta[l][1,3,6,9,11,2,10]pentaoxadiphosphacyclotetradecine-2,10-dione, Stimulator of interferon genes protein
著者Skene, R.
登録日2020-11-29
公開日2021-06-02
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.48 Å)
主引用文献Identification of Novel Carbocyclic Pyrimidine Cyclic Dinucleotide STING Agonists for Antitumor Immunotherapy Using Systemic Intravenous Route.
J.Med.Chem., 64, 2021
7KVZ
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BU of 7kvz by Molmil
Structure of hSTING in complex with novel carbocyclic pyrimidine CDN-2
分子名称: (2R,5R,7R,8R,10S,12aR,14R,15aS,16R)-7-(2-amino-6-oxo-1,6-dihydro-9H-purin-9-yl)-2,10,16-trihydroxy-14-[(pyrimidin-4-yl)oxy]decahydro-2H,10H-5,8-methano-2lambda~5~,10lambda~5~-cyclopenta[l][1,3,6,9,11,2,10]pentaoxadiphosphacyclotetradecine-2,10-dione, Stimulator of interferon genes protein
著者Skene, R.J.
登録日2020-11-29
公開日2022-02-09
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.35 Å)
主引用文献Identification of Novel Carbocyclic Pyrimidine Cyclic Dinucleotide STING Agonists for Antitumor Immunotherapy Using Systemic Intravenous Route.
J.Med.Chem., 64, 2021
7KX5
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BU of 7kx5 by Molmil
Crystal structure of the SARS-CoV-2 (COVID-19) main protease in complex with noncovalent inhibitor Jun8-76-3A
分子名称: 3C-like proteinase, GLYCEROL, N-([1,1'-biphenyl]-4-yl)-N-[(1R)-2-oxo-2-{[(1S)-1-phenylethyl]amino}-1-(pyridin-3-yl)ethyl]furan-2-carboxamide
著者Sacco, M, Wang, J, Chen, Y.
登録日2020-12-03
公開日2020-12-16
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Discovery of Di- and Trihaloacetamides as Covalent SARS-CoV-2 Main Protease Inhibitors with High Target Specificity.
J.Am.Chem.Soc., 143, 2021
5ITI
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BU of 5iti by Molmil
A cynobacterial PP2C (tPphA) structure
分子名称: CALCIUM ION, Protein serin-threonin phosphatase
著者Su, J.Y.
登録日2016-03-16
公開日2016-05-04
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献Structural and Biochemical Characterization of a Cyanobacterial PP2C Phosphatase Reveals Insights into Catalytic Mechanism and Substrate Recognition
Catalysts, 6, 2016
4HP3
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Crystal structure of Tet3 in complex with a CpG dsDNA
分子名称: DNA (5'-D(*GP*CP*CP*AP*AP*CP*GP*TP*TP*GP*GP*C)-3'), LOC100036628 protein, UNKNOWN ATOM OR ION, ...
著者Chao, X, Tempel, W, Bian, C, Bountra, C, Arrowsmith, C.H, Edwards, A.M, Min, J, Structural Genomics Consortium (SGC)
登録日2012-10-23
公開日2012-12-05
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (2.05 Å)
主引用文献Tet3 CXXC Domain and Dioxygenase Activity Cooperatively Regulate Key Genes for Xenopus Eye and Neural Development.
Cell(Cambridge,Mass.), 151, 2012
4HP1
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Crystal structure of Tet3 in complex with a non-CpG dsDNA
分子名称: DNA (5'-D(*GP*CP*CP*AP*CP*(5CM)P*GP*GP*TP*GP*GP*C)-3'), LOC100036628 protein, ZINC ION
著者Chao, X, Tempel, W, Bian, C, Bountra, C, Arrowsmith, C.H, Edwards, A.M, Min, J, Structural Genomics Consortium (SGC)
登録日2012-10-23
公開日2012-12-05
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (2.25 Å)
主引用文献Tet3 CXXC Domain and Dioxygenase Activity Cooperatively Regulate Key Genes for Xenopus Eye and Neural Development.
Cell(Cambridge,Mass.), 151, 2012

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