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5E2O
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FACTOR XIA IN COMPLEX WITH THE INHIBITOR 4-[(N-{(2E)-3-[5-chloro-2-(1H-tetrazol-1-yl)phenyl]prop-2-enoyl}-L-phenylalanyl)amino]benzoic acid
分子名称: 1,2-ETHANEDIOL, 4-[(N-{(2E)-3-[5-chloro-2-(1H-tetrazol-1-yl)phenyl]prop-2-enoyl}-L-phenylalanyl)amino]benzoic acid, Coagulation factor XIa light chain, ...
著者Wei, A.
登録日2015-10-01
公開日2015-12-09
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.08 Å)
主引用文献Novel phenylalanine derived diamides as Factor XIa inhibitors.
Bioorg.Med.Chem.Lett., 26, 2016
5EXN
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BU of 5exn by Molmil
FACTOR XIA (C500S [C122S]) IN COMPLEX WITH THE INHIBITOR methyl ~{N}-[4-[2-[(1~{S})-1-[[(~{E})-3-[5-chloranyl-2-(1,2,3,4-tetrazol-1-yl)phenyl]prop-2-enoyl]amino]-2-phenyl-ethyl]pyridin-4-yl]phenyl]carbamate
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, Coagulation factor XIa light chain, methyl ~{N}-[4-[2-[(1~{S})-1-[[(~{E})-3-[5-chloranyl-2-(1,2,3,4-tetrazol-1-yl)phenyl]prop-2-enoyl]amino]-2-phenyl-ethyl]pyridin-4-yl]phenyl]carbamate
著者Sheriff, S.
登録日2015-11-23
公開日2016-04-13
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (1.49 Å)
主引用文献Orally bioavailable pyridine and pyrimidine-based Factor XIa inhibitors: Discovery of the methyl N-phenyl carbamate P2 prime group
Bioorg.Med.Chem., 24, 2016
5EXL
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BU of 5exl by Molmil
FACTOR XIA IN COMPLEX WITH THE INHIBITOR 4-(aminomethyl)-~{N}-[(1~{S})-1-[4-(3-oxidanyl-1~{H}-indazol-5-yl)pyridin-2-yl]-2-phenyl-ethyl]cyclohexane-1-carboxamide
分子名称: 1,2-ETHANEDIOL, 4-(aminomethyl)-~{N}-[(1~{S})-1-[4-(3-oxidanyl-1~{H}-indazol-5-yl)pyridin-2-yl]-2-phenyl-ethyl]cyclohexane-1-carboxamide, Coagulation factor XIa light chain, ...
著者Wei, A.
登録日2015-11-23
公開日2016-04-13
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Orally bioavailable pyridine and pyrimidine-based Factor XIa inhibitors: Discovery of the methyl N-phenyl carbamate P2 prime group
Bioorg.Med.Chem., 24, 2016
5EXM
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BU of 5exm by Molmil
FACTOR XIA IN COMPLEX WITH THE INHIBITOR methyl ~{N}-[4-[2-[(1~{S})-1-[[4-(aminomethyl)cyclohexyl]carbonylamino]-2-phenyl-ethyl]pyridin-4-yl]phenyl]carbamate
分子名称: 1,2-ETHANEDIOL, Coagulation factor XIa light chain, SULFATE ION, ...
著者Wei, A.
登録日2015-11-23
公開日2016-04-13
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.09 Å)
主引用文献Orally bioavailable pyridine and pyrimidine-based Factor XIa inhibitors: Discovery of the methyl N-phenyl carbamate P2 prime group
Bioorg.Med.Chem., 24, 2016
5E2P
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BU of 5e2p by Molmil
FACTOR XIA IN COMPLEX WITH THE INHIBITOR N-[(1S)-1-benzyl-2-[2-[5-chloro-2-(tetrazol-1-yl)phenyl]ethylamino]-2-oxo-ethyl]-4-hydroxy-2-oxo-1H-quinoline-6-carboxamide
分子名称: 1,2-ETHANEDIOL, Coagulation factor XIa light chain, N-[(1S)-1-benzyl-2-[2-[5-chloro-2-(tetrazol-1-yl)phenyl]ethylamino]-2-oxo-ethyl]-4-hydroxy-2-oxo-1H-quinoline-6-carboxamide, ...
著者Wei, A.
登録日2015-10-01
公開日2015-12-09
最終更新日2016-01-20
実験手法X-RAY DIFFRACTION (2.11 Å)
主引用文献Novel phenylalanine derived diamides as Factor XIa inhibitors.
Bioorg.Med.Chem.Lett., 26, 2016
8K2E
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BU of 8k2e by Molmil
Crystal structure of YTHDC1 and Y3 complex
分子名称: 2-chloranyl-6-(4-fluoranylphenoxy)benzoic acid, SULFATE ION, YTH domain-containing protein 1
著者Zhang, H.L, Yang, S.Y.
登録日2023-07-12
公開日2024-07-17
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献PocketFlow is a data-and-knowledge-driven structure-based molecular generative model
Nat. Mach. Intell., 6, 2024
6O46
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BU of 6o46 by Molmil
Crystal structure of human KRAS P34R mutant in complex with GNP and Phosphate
分子名称: GTPase KRas, MAGNESIUM ION, PHOSPHATE ION, ...
著者Bera, A.K, Westover, K.D.
登録日2019-02-28
公開日2020-03-11
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献GTP hydrolysis is modulated by Arg34 in the RASopathy-associated KRASP34R.
Birth Defects Res, 112, 2020
6OYL
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BU of 6oyl by Molmil
The structure of the PP2A B56 subunit KIF4A complex
分子名称: Chromosome-associated kinesin KIF4A, Serine/threonine-protein phosphatase 2A 56 kDa regulatory subunit gamma isoform
著者Wang, X, Page, R, Peti, W.
登録日2019-05-14
公開日2020-03-25
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (3.15 Å)
主引用文献A dynamic charge-charge interaction modulates PP2A:B56 substrate recruitment.
Elife, 9, 2020
6PLG
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BU of 6plg by Molmil
Crystal structure of human PHGDH complexed with Compound 15
分子名称: (2S)-(4-{3-[(4,5-dichloro-1-methyl-1H-indole-2-carbonyl)amino]oxetan-3-yl}phenyl)(pyridin-3-yl)acetic acid, D-3-phosphoglycerate dehydrogenase, D-MALATE
著者Olland, A, Lakshminarasimhan, D, White, A, Suto, R.K.
登録日2019-06-30
公開日2019-07-24
最終更新日2019-09-04
実験手法X-RAY DIFFRACTION (2.93 Å)
主引用文献Inhibition of 3-phosphoglycerate dehydrogenase (PHGDH) by indole amides abrogates de novo serine synthesis in cancer cells.
Bioorg.Med.Chem.Lett., 29, 2019
1TBO
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BU of 1tbo by Molmil
NMR STRUCTURE OF A PROTEIN KINASE C-G PHORBOL-BINDING DOMAIN, 30 STRUCTURES
分子名称: PROTEIN KINASE C, GAMMA TYPE, ZINC ION
著者Xu, R.X, Pawelczyk, T, Xia, T, Brown, S.C.
登録日1997-04-15
公開日1998-04-29
最終更新日2024-05-22
実験手法SOLUTION NMR
主引用文献NMR structure of a protein kinase C-gamma phorbol-binding domain and study of protein-lipid micelle interactions.
Biochemistry, 36, 1997
6PLF
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BU of 6plf by Molmil
Crystal structure of human PHGDH complexed with Compound 1
分子名称: 1,2-ETHANEDIOL, 4-{(1S)-1-[(5-chloro-6-{[(5S)-2-oxo-1,3-oxazolidin-5-yl]methoxy}-1H-indole-2-carbonyl)amino]-2-hydroxyethyl}benzoic acid, D-3-phosphoglycerate dehydrogenase
著者Olland, A, Lakshminarasimhan, D, White, A, Suto, R.K.
登録日2019-06-30
公開日2019-07-24
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Inhibition of 3-phosphoglycerate dehydrogenase (PHGDH) by indole amides abrogates de novo serine synthesis in cancer cells.
Bioorg.Med.Chem.Lett., 29, 2019
8WBD
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BU of 8wbd by Molmil
CryoEM structure of non-structural protein 1 hexamer 1 from dengue virus type 4
分子名称: Genome polyprotein, TRISTEAROYLGLYCEROL
著者Jiao, H.Z, Pan, Q, Hu, H.L.
登録日2023-09-09
公開日2024-05-22
実験手法ELECTRON MICROSCOPY (2.9 Å)
主引用文献The step-by-step assembly mechanism of secreted flavivirus NS1 tetramer and hexamer captured at atomic resolution.
Sci Adv, 10, 2024
8WBF
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BU of 8wbf by Molmil
CryoEM structure of non-structural protein 1 tetramer from ZIKA virus
分子名称: Genome polyprotein
著者Jiao, H.Z, Pan, Q, Hu, H.L.
登録日2023-09-09
公開日2024-05-22
実験手法ELECTRON MICROSCOPY (2.99 Å)
主引用文献The step-by-step assembly mechanism of secreted flavivirus NS1 tetramer and hexamer captured at atomic resolution.
Sci Adv, 10, 2024
8WBE
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BU of 8wbe by Molmil
CryoEM structure of non-structural protein 1 hexamer 2 from dengue virus type 4
分子名称: Non-structural protein 1
著者Jiao, H.Z, Pan, Q, Hu, H.L.
登録日2023-09-09
公開日2024-05-22
実験手法ELECTRON MICROSCOPY (3 Å)
主引用文献The step-by-step assembly mechanism of secreted flavivirus NS1 tetramer and hexamer captured at atomic resolution.
Sci Adv, 10, 2024
8WBG
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BU of 8wbg by Molmil
CryoEM structure of non-structural protein 1 tetramer from ZIKA virus
分子名称: Genome polyprotein
著者Jiao, H.Z, Pan, Q, Hu, H.L.
登録日2023-09-09
公開日2024-05-22
実験手法ELECTRON MICROSCOPY (3.2 Å)
主引用文献The step-by-step assembly mechanism of secreted flavivirus NS1 tetramer and hexamer captured at atomic resolution.
Sci Adv, 10, 2024
8WBH
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BU of 8wbh by Molmil
CryoEM structure of non-structural protein 1 tetramer from Japanese encephalitis virus
分子名称: Genome polyprotein
著者Jiao, H.Z, Pan, Q, Hu, H.L.
登録日2023-09-09
公開日2024-05-22
実験手法ELECTRON MICROSCOPY (3.2 Å)
主引用文献The step-by-step assembly mechanism of secreted flavivirus NS1 tetramer and hexamer captured at atomic resolution.
Sci Adv, 10, 2024
8WBC
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BU of 8wbc by Molmil
CryoEM structure of non-structural protein 1 tetramer from dengue virus type 4
分子名称: Genome polyprotein
著者Jiao, H.Z, Pan, Q, Hu, H.L.
登録日2023-09-09
公開日2024-05-22
実験手法ELECTRON MICROSCOPY (3.03 Å)
主引用文献The step-by-step assembly mechanism of secreted flavivirus NS1 tetramer and hexamer captured at atomic resolution.
Sci Adv, 10, 2024
8WBB
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BU of 8wbb by Molmil
CryoEM structure of non-structural protein 1 dimer from dengue virus type 4
分子名称: Genome polyprotein
著者Jiao, H.Z, Pan, Q, Hu, H.L.
登録日2023-09-09
公開日2024-05-22
実験手法ELECTRON MICROSCOPY (2.9 Å)
主引用文献The step-by-step assembly mechanism of secreted flavivirus NS1 tetramer and hexamer captured at atomic resolution.
Sci Adv, 10, 2024
8WSP
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BU of 8wsp by Molmil
Crystal structure of SFTSV Gn and antibody SF5
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Ab5-H, Ab5-L, ...
著者Chang, Z, Gao, F, Wu, Y.
登録日2023-10-17
公開日2024-06-12
実験手法X-RAY DIFFRACTION (2.51 Å)
主引用文献Bispecific antibodies targeting two glycoproteins on SFTSV exhibit synergistic neutralization and protection in a mouse model.
Proc.Natl.Acad.Sci.USA, 121, 2024
8WQW
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BU of 8wqw by Molmil
Cryo-EM structure of bsAb3 Fab-Gn-Gc complex
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Glycoprotein C, Glycoprotein N, ...
著者Wu, Y, Sun, J.Q.
登録日2023-10-12
公開日2024-06-12
実験手法ELECTRON MICROSCOPY (3.27 Å)
主引用文献Bispecific antibodies targeting two glycoproteins on SFTSV exhibit synergistic neutralization and protection in a mouse model.
Proc.Natl.Acad.Sci.USA, 121, 2024
8WSN
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BU of 8wsn by Molmil
Crystal structure of SFTSV Gn and antibody SF1
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Ab1-H, ...
著者Chang, Z, Gao, F, Wu, Y.
登録日2023-10-17
公開日2024-06-12
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Bispecific antibodies targeting two glycoproteins on SFTSV exhibit synergistic neutralization and protection in a mouse model.
Proc.Natl.Acad.Sci.USA, 121, 2024
8WSU
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BU of 8wsu by Molmil
Crystal structure of SFTSV Gc and antibody
分子名称: Ab-H, Ab-L, Glycoprotein C
著者Chang, Z, Gao, F, Wu, Y.
登録日2023-10-17
公開日2024-06-12
実験手法X-RAY DIFFRACTION (3.3 Å)
主引用文献Bispecific antibodies targeting two glycoproteins on SFTSV exhibit synergistic neutralization and protection in a mouse model.
Proc.Natl.Acad.Sci.USA, 121, 2024
1TBN
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BU of 1tbn by Molmil
NMR STRUCTURE OF A PROTEIN KINASE C-G PHORBOL-BINDING DOMAIN, MINIMIZED AVERAGE STRUCTURE
分子名称: PROTEIN KINASE C, GAMMA TYPE, ZINC ION
著者Xu, R.X, Pawelczyk, T, Xia, T, Brown, S.C.
登録日1997-04-15
公開日1998-04-29
最終更新日2024-05-22
実験手法SOLUTION NMR
主引用文献NMR structure of a protein kinase C-gamma phorbol-binding domain and study of protein-lipid micelle interactions.
Biochemistry, 36, 1997
1QT1
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BU of 1qt1 by Molmil
CRYSTAL STRUCTURE OF XYLOSE ISOMERASE FROM STREPTOMYCES DIASTATICUS NO.7 M1033 AT 1.85 A RESOLUTION
分子名称: COBALT (II) ION, PROTEIN (XYLOSE ISOMERASE)
著者Niu, L, Teng, M, Zhu, X.
登録日1999-06-29
公開日2000-06-29
最終更新日2023-08-16
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献Structure of xylose isomerase from Streptomyces diastaticus no. 7 strain M1033 at 1.85 A resolution.
Acta Crystallogr.,Sect.D, 56, 2000
5TKT
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BU of 5tkt by Molmil
FACTOR XIA IN COMPLEX WITH THE INHIBITOR METHYL ((12E,15S)-15-(((2E)-3-(5-CHLORO-2-(1H-TETRAZOL-1-YL)PHENYL)-2-PROPENOYL)AMINO)-9-OXO-8,17,19-TRIAZATRICYCLO[14.2.1.0~2,7~]NONADECA-1(18),2,4,6,12,16(19)-HEXAEN-5-YL)CARBAMATE
分子名称: 1,2-ETHANEDIOL, Factor XIa (Light Chain), METHYL ((12E,15S)-15-(((2E)-3-(5-CHLORO-2-(1H-TETRAZOL-1-YL)PHENYL)-2-PROPENOYL)AMINO)-9-OXO-8,17,19-TRIAZATRICYCLO[14.2.1.0~2, ...
著者Sheriff, S.
登録日2016-10-07
公開日2017-03-01
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (2.12 Å)
主引用文献Structure-Based Design of Macrocyclic Factor XIa Inhibitors: Discovery of the Macrocyclic Amide Linker.
J. Med. Chem., 60, 2017

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