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2OKT
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BU of 2okt by Molmil
Crystal structure of O-succinylbenzoic acid synthetase from Staphylococcus aureus, ligand-free form
分子名称: O-succinylbenzoic acid synthetase
著者Patskovsky, Y, Toro, R, Malashkevich, V, Sauder, J.M, Ozyurt, S, Smith, D, Dickey, M, Maletic, M, Powell, A, Gheyi, T, Wasserman, S.R, Gerlt, J, Burley, S.K, Almo, S.C, New York SGX Research Center for Structural Genomics (NYSGXRC)
登録日2007-01-17
公開日2007-01-30
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (1.3 Å)
主引用文献Loss of quaternary structure is associated with rapid sequence divergence in the OSBS family.
Proc.Natl.Acad.Sci.USA, 111, 2014
2PGE
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BU of 2pge by Molmil
Crystal structure of MenC from Desulfotalea psychrophila LSv54
分子名称: MenC
著者Agarwal, R, Burley, S.K, Swaminathan, S, New York SGX Research Center for Structural Genomics (NYSGXRC)
登録日2007-04-09
公開日2007-04-24
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Loss of quaternary structure is associated with rapid sequence divergence in the OSBS family.
Proc.Natl.Acad.Sci.USA, 111, 2014
7VZG
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BU of 7vzg by Molmil
Structure of the Acidobacteria homodimeric reaction center bound with cytochrome c (the larger form)
分子名称: BACTERIOCHLOROPHYLL A, CALCIUM ION, CHLOROPHYLL A, ...
著者Huang, G.Q, Dong, S.S, Qin, X.C, Sui, S.F.
登録日2021-11-16
公開日2023-02-22
実験手法ELECTRON MICROSCOPY (2.61 Å)
主引用文献Structure of the Acidobacteria homodimeric reaction center bound with cytochrome c.
Nat Commun, 13, 2022
4OV4
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BU of 4ov4 by Molmil
Isopropylmalate synthase binding with ketoisovalerate
分子名称: 2-isopropylmalate synthase, 3-METHYL-2-OXOBUTANOIC ACID, ZINC ION
著者Zhang, Z, Wu, J, Wang, C, Zhang, P.
登録日2014-02-20
公開日2014-08-20
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Subdomain II of alpha-isopropylmalate synthase is essential for activity: inferring a mechanism of feedback inhibition.
J.Biol.Chem., 289, 2014
7VHQ
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BU of 7vhq by Molmil
Structural insights into the membrane microdomain organization by SPFH family proteins
分子名称: ATP-dependent zinc metalloprotease FtsH, Modulator of FtsH protease HflC, Protein HflK
著者Ma, C.Y, Wang, C.K, Luo, D.Y, Yan, L, Yang, W.X, Li, N.N, Gao, N.
登録日2021-09-22
公開日2022-01-19
最終更新日2024-06-19
実験手法ELECTRON MICROSCOPY (3.27 Å)
主引用文献Structural insights into the membrane microdomain organization by SPFH family proteins.
Cell Res., 32, 2022
5UC9
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BU of 5uc9 by Molmil
Crystal structure of human Heme Oxygenase-2 in complex with Myristate
分子名称: Heme oxygenase 2, MYRISTIC ACID
著者Luo, S, Tong, L.
登録日2016-12-22
公開日2017-02-15
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (1.903 Å)
主引用文献Heme Oxygenase 2 Binds Myristate to Regulate Retrovirus Assembly and TLR4 Signaling.
Cell Host Microbe, 21, 2017
7JNT
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BU of 7jnt by Molmil
CRYSTAL STRUCTURE OF RHO-ASSOCIATED PROTEIN KINASE 2 (ROCK2) IN COMPLEX WITH A POTENT AND SELECTIVE DUAL ROCK INHIBITOR
分子名称: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CHLORIDE ION, N-[(3-methoxyphenyl)methyl]-5H-[1]benzopyrano[3,4-c]pyridine-8-carboxamide, ...
著者Muckelbauer, J.K.
登録日2020-08-05
公開日2020-09-02
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (2.214 Å)
主引用文献Identification of 5H-chromeno[3,4-c]pyridine and 6H-isochromeno[3,4-c]pyridine derivatives as potent and selective dual ROCK inhibitors.
Bioorg.Med.Chem.Lett., 30, 2020
7K93
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BU of 7k93 by Molmil
DENV2 NS1 in complex with neutralizing 2B7 single chain Fab variable region (scFv)
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2B7 single chain fab variable region, Non-structural protein 1
著者Akey, D.L, Smith, J.L.
登録日2020-09-28
公開日2020-12-23
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.89 Å)
主引用文献Structural basis for antibody inhibition of flavivirus NS1-triggered endothelial dysfunction.
Science, 371, 2021
7JY5
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BU of 7jy5 by Molmil
Structure of human p97 in complex with ATPgammaS and Npl4/Ufd1 (masked around p97)
分子名称: MAGNESIUM ION, PHOSPHOTHIOPHOSPHORIC ACID-ADENYLATE ESTER, Transitional endoplasmic reticulum ATPase
著者Pan, M, Yu, Y, Liu, L, Zhao, M.
登録日2020-08-28
公開日2021-01-20
最終更新日2024-03-06
実験手法ELECTRON MICROSCOPY (2.89 Å)
主引用文献Seesaw conformations of Npl4 in the human p97 complex and the inhibitory mechanism of a disulfiram derivative.
Nat Commun, 12, 2021
7WMX
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BU of 7wmx by Molmil
Crystal structure of methylenetetrahydrofolate reductase MSMEG_6649 from Mycobacterium smegmatis with 5,10-methylenetetrahydrofolate
分子名称: Methylenetetrahydrofolate reductase
著者Lin, W, Wang, W.
登録日2022-01-17
公開日2023-01-25
最終更新日2024-05-29
実験手法X-RAY DIFFRACTION (2.264 Å)
主引用文献Structural and functional characterization of a mycobacterial methylenetetrahydrofolate reductase utilizing NADH as the exclusive cofactor.
Biochem.J., 480, 2023
7WMY
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BU of 7wmy by Molmil
Crystal structure of methylenetetrahydrofolate reductase MSMEG_6649 from Mycobacterium smegmatis with 5-methyltetrahydrofolate
分子名称: methylenetetrahydrofolate reductase
著者Lin, W, Wang, W.
登録日2022-01-17
公開日2023-01-25
最終更新日2024-05-29
実験手法X-RAY DIFFRACTION (2.266 Å)
主引用文献Structural and functional characterization of a mycobacterial methylenetetrahydrofolate reductase utilizing NADH as the exclusive cofactor.
Biochem.J., 480, 2023
7WMZ
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BU of 7wmz by Molmil
Crystal structure of methylenetetrahydrofolate reductase MSMEG_6649 from Mycobacterium smegmatis with NADH
分子名称: 1,4-DIHYDRONICOTINAMIDE ADENINE DINUCLEOTIDE, Methylenetetrahydrofolate reductase
著者Lin, W, Wang, W.
登録日2022-01-17
公開日2023-01-25
最終更新日2024-05-29
実験手法X-RAY DIFFRACTION (1.916 Å)
主引用文献Structural and functional characterization of a mycobacterial methylenetetrahydrofolate reductase utilizing NADH as the exclusive cofactor.
Biochem.J., 480, 2023
5UC8
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BU of 5uc8 by Molmil
Crystal structure of human Heme Oxygenase-2
分子名称: Heme oxygenase 2
著者Luo, S, Tong, L.
登録日2016-12-22
公開日2017-02-15
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Heme Oxygenase 2 Binds Myristate to Regulate Retrovirus Assembly and TLR4 Signaling.
Cell Host Microbe, 21, 2017
7VHP
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BU of 7vhp by Molmil
Structural insights into the membrane microdomain organization by SPFH family proteins
分子名称: ATP-dependent zinc metalloprotease FtsH, Modulator of FtsH protease HflC, Protein HflK
著者Ma, C.Y, Wang, C.K, Luo, D.Y, Yan, L, Yang, W.X, Li, N.N, Gao, N.
登録日2021-09-22
公開日2022-03-23
最終更新日2024-06-19
実験手法ELECTRON MICROSCOPY (3.27 Å)
主引用文献Structural insights into the membrane microdomain organization by SPFH family proteins.
Cell Res., 32, 2022
5QTT
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BU of 5qtt by Molmil
FACTOR XIA IN COMPLEX WITH THE INHIBITOR methyl [(3R,7S)-7-{[5-amino-1-(3-chloro-2-fluorophenyl)-1H-pyrazole-4-carbonyl]amino}-3-methyl-2-oxo-2,3,4,5,6,7-hexahydro-1H-12,8-(metheno)-1,9-benzodiazacyclotetradecin-15-yl]carbamate
分子名称: 1,2-ETHANEDIOL, Coagulation factor XI, SULFATE ION, ...
著者Sheriff, S.
登録日2019-10-16
公開日2019-12-25
最終更新日2021-05-12
実験手法X-RAY DIFFRACTION (2.23 Å)
主引用文献Potent, Orally Bioavailable and Efficacious Macrocyclic Inhibitors of Factor XIa. Discovery of Pyridine-Based Macrocycles Possessing Phenylazole Carboxamide P1 Groups.
J.Med.Chem., 63, 2019
5QTU
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BU of 5qtu by Molmil
FACTOR XIA IN COMPLEX WITH THE INHIBITOR methyl [(3R,7S)-7-{[1-(3-chloro-2-fluorophenyl)-5-methyl-1H-imidazole-4-carbonyl]amino}-3-methyl-2-oxo-2,3,4,5,6,7-hexahydro-1H-12,8-(metheno)-1,9-benzodiazacyclotetradecin-15-yl]carbamate
分子名称: 1,2-ETHANEDIOL, Coagulation factor XI, SULFATE ION, ...
著者Sheriff, S.
登録日2019-10-16
公開日2019-12-25
最終更新日2021-05-12
実験手法X-RAY DIFFRACTION (2.53 Å)
主引用文献Potent, Orally Bioavailable and Efficacious Macrocyclic Inhibitors of Factor XIa. Discovery of Pyridine-Based Macrocycles Possessing Phenylazole Carboxamide P1 Groups.
J.Med.Chem., 63, 2019
5UCA
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BU of 5uca by Molmil
Crystal structure of human Heme Oxygenase-2 in complex with Laurate
分子名称: Heme oxygenase 2, LAURIC ACID
著者Luo, S, Tong, L.
登録日2016-12-22
公開日2017-02-15
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (2.117 Å)
主引用文献Heme Oxygenase 2 Binds Myristate to Regulate Retrovirus Assembly and TLR4 Signaling.
Cell Host Microbe, 21, 2017
7WMW
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BU of 7wmw by Molmil
Crystal structure of methylenetetrahydrofolate reductase MSMEG_6649 from Mycobacterium smegmatis
分子名称: Methylenetetrahydrofolate reductase
著者Lin, W, Wang, W.
登録日2022-01-17
公開日2023-01-25
最終更新日2024-05-29
実験手法X-RAY DIFFRACTION (2.053 Å)
主引用文献Structural and functional characterization of a mycobacterial methylenetetrahydrofolate reductase utilizing NADH as the exclusive cofactor.
Biochem.J., 480, 2023
4WXI
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BU of 4wxi by Molmil
FACTOR XIA IN COMPLEX WITH THE INHIBITOR trans-N-{(1S)-1-[4-(3-amino-2H-indazol-6-yl)pyridin-2-yl]-2-phenylethyl}-4-(aminomethyl)cyclohexanecarboxamide
分子名称: 1,2-ETHANEDIOL, COAGULATION FACTOR XI, LIGHT CHAIN, ...
著者Wei, A.
登録日2014-11-13
公開日2015-01-28
最終更新日2018-08-29
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Pyridine and pyridinone-based factor XIa inhibitors.
Bioorg.Med.Chem.Lett., 25, 2015
2MT8
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BU of 2mt8 by Molmil
Solution structure MTAbl13, a grafted MCoTI-II
分子名称: MTAbl13 of grafted MCoTI-II
著者Huang, Y, Wang, C, Craik, D.
登録日2014-08-15
公開日2015-10-14
最終更新日2023-06-14
実験手法SOLUTION NMR
主引用文献Design of substrate-based BCR-ABL kinase inhibitors using the cyclotide scaffold.
Sci Rep, 5, 2015
7WJS
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BU of 7wjs by Molmil
Crystal Structure of the first bromodomain of human BRD4 in complex with the inhibitor Y13157
分子名称: 2-(2-cyclobutyl-1~{H}-imidazol-5-yl)-7-[2-(4-fluoranyl-2,6-dimethyl-phenoxy)-5-(2-oxidanylpropan-2-yl)phenyl]-5-methyl-furo[3,2-c]pyridin-4-one, Bromodomain-containing protein 4, GLYCEROL
著者Li, J, Zhang, C, Xu, H, Zhuang, X, Wu, X, Zhang, Y, Xu, Y.
登録日2022-01-07
公開日2022-08-10
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.73 Å)
主引用文献Structure-Based Discovery and Optimization of Furo[3,2- c ]pyridin-4(5 H )-one Derivatives as Potent and Second Bromodomain (BD2)-Selective Bromo and Extra Terminal Domain (BET) Inhibitors.
J.Med.Chem., 65, 2022
7WKY
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BU of 7wky by Molmil
Crystal Structure of the first bromodomain of human BRD4 in complex with the inhibitor Y13153
分子名称: 2-(2-cyclopentyl-1~{H}-imidazol-5-yl)-7-[2-(4-fluoranyl-2,6-dimethyl-phenoxy)-5-(2-oxidanylpropan-2-yl)phenyl]-5-methyl-furo[3,2-c]pyridin-4-one, Bromodomain-containing protein 4, GLYCEROL
著者Li, J, Zhang, C, Xu, H, Zhuang, X, Wu, X, Zhang, Y, Xu, Y.
登録日2022-01-12
公開日2022-08-10
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.83 Å)
主引用文献Structure-Based Discovery and Optimization of Furo[3,2- c ]pyridin-4(5 H )-one Derivatives as Potent and Second Bromodomain (BD2)-Selective Bromo and Extra Terminal Domain (BET) Inhibitors.
J.Med.Chem., 65, 2022
7WNI
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Crystal Structure of the second bromodomain of human BRD2 in complex with the inhibitor Y13158
分子名称: 1,2-ETHANEDIOL, 7-[2-[2,4-bis(fluoranyl)phenoxy]-5-(2-oxidanylpropan-2-yl)phenyl]-2-[4-(2-hydroxyethyloxy)-3,5-dimethyl-phenyl]-5-methyl-furo[3,2-c]pyridin-4-one, DI(HYDROXYETHYL)ETHER, ...
著者Li, J, Zhang, C, Xu, H, Zhuang, X, Wu, X, Zhang, Y, Xu, Y.
登録日2022-01-18
公開日2022-08-10
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (3.12 Å)
主引用文献Structure-Based Discovery and Optimization of Furo[3,2- c ]pyridin-4(5 H )-one Derivatives as Potent and Second Bromodomain (BD2)-Selective Bromo and Extra Terminal Domain (BET) Inhibitors.
J.Med.Chem., 65, 2022
7WMU
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BU of 7wmu by Molmil
Crystal Structure of the second bromodomain of human BRD2 in complex with the inhibitor Y13146
分子名称: 1,2-ETHANEDIOL, Isoform 4 of Bromodomain-containing protein 2, ~{N}-[4-[2,4-bis(fluoranyl)phenoxy]-3-[2-(2-cyclobutyl-1~{H}-imidazol-5-yl)-5-methyl-4-oxidanylidene-furo[3,2-c]pyridin-7-yl]phenyl]ethanesulfonamide
著者Li, J, Zhang, C, Xu, H, Zhuang, X, Wu, X, Zhang, Y, Xu, Y.
登録日2022-01-17
公開日2022-08-10
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.73 Å)
主引用文献Structure-Based Discovery and Optimization of Furo[3,2- c ]pyridin-4(5 H )-one Derivatives as Potent and Second Bromodomain (BD2)-Selective Bromo and Extra Terminal Domain (BET) Inhibitors.
J.Med.Chem., 65, 2022
7WN5
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Crystal Structure of the second bromodomain of human BRD2 in complex with the inhibitor Y13142
分子名称: 1,2-ETHANEDIOL, Isoform 4 of Bromodomain-containing protein 2, POTASSIUM ION, ...
著者Li, J, Zhang, C, Xu, H, Zhuang, X, Wu, X, Zhang, Y, Xu, Y.
登録日2022-01-17
公開日2022-08-10
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Structure-Based Discovery and Optimization of Furo[3,2- c ]pyridin-4(5 H )-one Derivatives as Potent and Second Bromodomain (BD2)-Selective Bromo and Extra Terminal Domain (BET) Inhibitors.
J.Med.Chem., 65, 2022

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