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7N28
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BU of 7n28 by Molmil
Cryo-EM structure of broadly neutralizing V2-apex-targeting antibody J033 in complex with HIV-1 Env
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, 3BNC117 antibody heavy chain, ...
著者Zhou, T, Gao, F.
登録日2021-05-28
公開日2022-04-06
最終更新日2025-05-21
実験手法ELECTRON MICROSCOPY (4.2 Å)
主引用文献Development of Neutralization Breadth against Diverse HIV-1 by Increasing Ab-Ag Interface on V2.
Adv Sci, 9, 2022
4X6P
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BU of 4x6p by Molmil
FACTOR XIA (PICHIA PASTORIS; C500S [C122S]) IN COMPLEX WITH THE INHIBITOR (2E)-N-{(1S)-1-[4-(3-amino-1H-indazol-6-yl)-1H-imidazol-2-yl]-2-phenylethyl}-3-[5-chloro-2-(1H-tetrazol-1-yl)phenyl]prop-2-enamide
分子名称: (2E)-N-{(1S)-1-[4-(3-amino-1H-indazol-6-yl)-1H-imidazol-2-yl]-2-phenylethyl}-3-[5-chloro-2-(1H-tetrazol-1-yl)phenyl]prop-2-enamide, 2-acetamido-2-deoxy-beta-D-glucopyranose, CITRIC ACID, ...
著者Sheriff, S.
登録日2014-12-08
公開日2015-02-18
最終更新日2024-10-16
実験手法X-RAY DIFFRACTION (1.93 Å)
主引用文献Structure-based design of inhibitors of coagulation factor XIa with novel P1 moieties.
Bioorg.Med.Chem.Lett., 25, 2015
4X6O
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BU of 4x6o by Molmil
FACTOR XIA IN COMPLEX WITH THE INHIBITOR methyl (4-{4-chloro-2-[(1S)-1-({3-[5-chloro-2-(1H-tetrazol-1-yl)phenyl]propanoyl}amino)-2-phenylethyl]-1H-imidazol-5-yl}phenyl)carbamate
分子名称: 1,2-ETHANEDIOL, Coagulation factor XI, light chain, ...
著者Wei, A.
登録日2014-12-08
公開日2015-02-18
最終更新日2024-11-06
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Structure-based design of inhibitors of coagulation factor XIa with novel P1 moieties.
Bioorg.Med.Chem.Lett., 25, 2015
4X6M
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BU of 4x6m by Molmil
FACTOR XIA IN COMPLEX WITH THE INHIBITOR 1-{(1S)-1-[4-(3-amino-1H-indazol-6-yl)-5-chloro-1H-imidazol-2-yl]-2-phenylethyl}-3-[2-(aminomethyl)-5-chlorobenzyl]urea
分子名称: 1,2-ETHANEDIOL, 1-{(1S)-1-[4-(3-amino-1H-indazol-6-yl)-5-chloro-1H-imidazol-2-yl]-2-phenylethyl}-3-[2-(aminomethyl)-5-chlorobenzyl]urea, Coagulation factor XI, ...
著者Wei, A.
登録日2014-12-08
公開日2015-02-18
最終更新日2024-10-16
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Structure-based design of inhibitors of coagulation factor XIa with novel P1 moieties.
Bioorg.Med.Chem.Lett., 25, 2015
4X6N
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BU of 4x6n by Molmil
FACTOR XIA IN COMPLEX WITH THE INHIBITOR 1-{(1S)-1-[4-(3-amino-1H-indazol-6-yl)-5-chloro-1H-imidazol-2-yl]-2-phenylethyl}-3-[5-chloro-2-(1H-tetrazol-1-yl)benzyl]urea
分子名称: 1,2-ETHANEDIOL, 1-{(1S)-1-[4-(3-amino-1H-indazol-6-yl)-5-chloro-1H-imidazol-2-yl]-2-phenylethyl}-3-[5-chloro-2-(1H-tetrazol-1-yl)benzyl]urea, Coagulation factor XI, ...
著者Wei, A.
登録日2014-12-08
公開日2015-02-18
最終更新日2024-10-09
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Structure-based design of inhibitors of coagulation factor XIa with novel P1 moieties.
Bioorg.Med.Chem.Lett., 25, 2015
7T02
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BU of 7t02 by Molmil
Cryo-EM structure of DNMT5 pseudo-ternary complex solved by incubation with hemimethylated DNA and SAM
分子名称: DNA (5'-D(*CP*CP*AP*TP*GP*CP*GP*CP*TP*GP*AP*CP*A)-3'), DNA (5'-D(P*GP*TP*CP*AP*GP*(5CM)P*GP*CP*AP*TP*GP*G)-3'), DNA repair protein Rad8, ...
著者Wang, J, Patel, D.J.
登録日2021-11-29
公開日2022-02-23
最終更新日2024-02-28
実験手法ELECTRON MICROSCOPY (3.8 Å)
主引用文献Structural insights into DNMT5-mediated ATP-dependent high-fidelity epigenome maintenance.
Mol.Cell, 82, 2022
5XLZ
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BU of 5xlz by Molmil
The crystal structure of tubulin complexed with a benzylidene derivative of 9(10H)-anthracenone
分子名称: 10-[(4-methoxy-3-oxidanyl-phenyl)methylidene]anthracen-9-one, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CALCIUM ION, ...
著者Yu, Y, Chen, Q.
登録日2017-05-12
公開日2017-11-22
最終更新日2024-03-27
実験手法X-RAY DIFFRACTION (2.298 Å)
主引用文献Structure of a benzylidene derivative of 9(10H)-anthracenone in complex with tubulin provides a rationale for drug design.
Biochem. Biophys. Res. Commun., 495, 2018
5W0C
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BU of 5w0c by Molmil
Cytochrome P450 (CYP) 2C9 TCA007 Inhibitor Complex
分子名称: Cytochrome P450 2C9, GLYCEROL, PROTOPORPHYRIN IX CONTAINING FE, ...
著者Johnson, E.F, Hsu, M.-H.
登録日2017-05-30
公開日2017-09-13
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (2.001 Å)
主引用文献Determinants of the Inhibition of DprE1 and CYP2C9 by Antitubercular Thiophenes.
Angew. Chem. Int. Ed. Engl., 56, 2017
1AUV
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BU of 1auv by Molmil
STRUCTURE OF THE C DOMAIN OF SYNAPSIN IA FROM BOVINE BRAIN
分子名称: SYNAPSIN IA
著者Esser, L, Wang, C, Deisenhofer, J.
登録日1997-09-02
公開日1998-03-18
最終更新日2024-10-09
実験手法X-RAY DIFFRACTION (2.15 Å)
主引用文献Synapsin I is structurally similar to ATP-utilizing enzymes.
EMBO J., 17, 1998
8W97
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BU of 8w97 by Molmil
De novo design protein -PK16
分子名称: De novo design protein
著者Wang, S, Liu, Y.
登録日2023-09-04
公開日2024-09-11
最終更新日2025-05-07
実験手法X-RAY DIFFRACTION (2.9 Å)
主引用文献De novo protein design with a denoising diffusion network independent of pretrained structure prediction models.
Nat.Methods, 21, 2024
1AUX
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BU of 1aux by Molmil
STRUCTURE OF THE C DOMAIN OF SYNAPSIN IA FROM BOVINE BRAIN WITH CALCIUM ATP-GAMMA-S BOUND
分子名称: CALCIUM ION, PHOSPHOTHIOPHOSPHORIC ACID-ADENYLATE ESTER, SYNAPSIN IA
著者Esser, L, Wang, C, Deisenhofer, J.
登録日1997-09-06
公開日1998-03-18
最終更新日2024-05-22
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Synapsin I is structurally similar to ATP-utilizing enzymes.
EMBO J., 17, 1998
3RY7
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BU of 3ry7 by Molmil
Crystal Structure of Sa239
分子名称: GLYCEROL, Ribokinase
著者Li, J, Wu, M, Wang, L, Zang, J.
登録日2011-05-11
公開日2012-04-25
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (2.15 Å)
主引用文献Crystal structure of Sa239 reveals the structural basis for the activation of ribokinase by monovalent cations.
J.Struct.Biol., 177, 2012
8DUA
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BU of 8dua by Molmil
SIV E660.CR54 SOS-2P Env Trimer with ITS92.02
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, Envelope glycoprotein gp120, Envelope glycoprotein gp41, ...
著者Gorman, J, Kwong, P.D.
登録日2022-07-27
公開日2022-10-26
最終更新日2024-10-30
実験手法ELECTRON MICROSCOPY (4.32 Å)
主引用文献Cryo-EM structures of prefusion SIV envelope trimer.
Nat.Struct.Mol.Biol., 29, 2022
8DVD
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BU of 8dvd by Molmil
Cryo-EM structure of SIVmac239 SOS-2P Env trimer in complex with human bNAb PGT145
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, Envelope glycoprotein gp160, ...
著者Gorman, J, Kwong, P.D.
登録日2022-07-28
公開日2022-11-16
最終更新日2024-11-13
実験手法ELECTRON MICROSCOPY (4.12 Å)
主引用文献Cryo-EM structures of prefusion SIV envelope trimer.
Nat.Struct.Mol.Biol., 29, 2022
4MC9
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BU of 4mc9 by Molmil
HIV protease in complex with AA74
分子名称: (3S)-tetrahydrofuran-3-yl {(2S,3R)-4-[(4R)-7-fluoro-1,1-dioxido-4-(propan-2-yl)-4,5-dihydro-1,2-benzothiazepin-2(3H)-yl]-3-hydroxy-1-phenylbutan-2-yl}carbamate, 1,2-ETHANEDIOL, CHLORIDE ION, ...
著者Ganguly, A.K, Alluri, S.S, Wang, C, Antropow, A, White, A, Caroccia, D, Biswas, D, Kang, E, Zhang, L, Carroll, S.S, Burlein, C, Munshi, V, Orth, P, Strickland, C.
登録日2013-08-21
公開日2014-04-02
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.19 Å)
主引用文献Structural Optimization of Cyclic Sulfonamide based Novel HIV-1 Protease Inhibitors to Pico Molar Affinities guided by X-ray Crystallographic Analysis
Tetrahedron, 2014
5E2O
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BU of 5e2o by Molmil
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2024-11-13
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
5H7P
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BU of 5h7p by Molmil
NMR structure of the Vta1NTD-Did2(176-204) complex
分子名称: Vacuolar protein sorting-associated protein VTA1, Vacuolar protein-sorting-associated protein 46
著者Shen, J, Yang, Z, Wild, C.J.
登録日2016-11-20
公開日2016-12-21
最終更新日2024-05-15
実験手法SOLUTION NMR
主引用文献NMR studies on the interactions between yeast Vta1 and Did2 during the multivesicular bodies sorting pathway
Sci Rep, 6, 2016
8JIL
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BU of 8jil by Molmil
Cryo-EM structure of niacin bound ketone body receptor HCAR2-Gi signaling complex
分子名称: CHOLESTEROL, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, Guanine nucleotide-binding protein G(I)/G(S)/G(T) subunit beta-1, ...
著者Zhao, C, Tian, X.W, Liu, Y, Cheng, L, Yan, W, Shao, Z.H.
登録日2023-05-26
公開日2023-09-06
最終更新日2024-10-23
実験手法ELECTRON MICROSCOPY (3.5 Å)
主引用文献Biased allosteric activation of ketone body receptor HCAR2 suppresses inflammation.
Mol.Cell, 83, 2023
8JII
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BU of 8jii by Molmil
Cryo-EM structure of compound 9n and niacin bound ketone body receptor HCAR2-Gi signaling complex
分子名称: 7-methyl-N-[(2R)-1-phenoxypropan-2-yl]-3-(4-propan-2-ylphenyl)pyrazolo[1,5-a]pyrimidine-6-carboxamide, CHOLESTEROL, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, ...
著者Zhao, C, Tian, X.W, Liu, Y, Cheng, L, Yan, W, Shao, Z.H.
登録日2023-05-26
公開日2023-09-06
最終更新日2024-10-30
実験手法ELECTRON MICROSCOPY (3.17 Å)
主引用文献Biased allosteric activation of ketone body receptor HCAR2 suppresses inflammation.
Mol.Cell, 83, 2023
8JHY
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BU of 8jhy by Molmil
Cryo-EM structure of compound 9n bound ketone body receptor HCAR2-Gi signaling complex
分子名称: 7-methyl-N-[(2R)-1-phenoxypropan-2-yl]-3-(4-propan-2-ylphenyl)pyrazolo[1,5-a]pyrimidine-6-carboxamide, CHOLESTEROL, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, ...
著者Zhao, C, Tian, X.W, Liu, Y, Cheng, L, Yan, W, Shao, Z.H.
登録日2023-05-25
公開日2023-09-06
最終更新日2024-10-30
実験手法ELECTRON MICROSCOPY (2.87 Å)
主引用文献Biased allosteric activation of ketone body receptor HCAR2 suppresses inflammation.
Mol.Cell, 83, 2023
8JIM
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BU of 8jim by Molmil
Cryo-EM structure of MMF bound ketone body receptor HCAR2-Gi signaling complex
分子名称: (2Z)-4-methoxy-4-oxobut-2-enoic acid, CHOLESTEROL, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, ...
著者Zhao, C, Tian, X.W, Liu, Y, Cheng, L, Yan, W, Shao, Z.H.
登録日2023-05-26
公開日2023-09-06
最終更新日2024-11-06
実験手法ELECTRON MICROSCOPY (2.98 Å)
主引用文献Biased allosteric activation of ketone body receptor HCAR2 suppresses inflammation.
Mol.Cell, 83, 2023
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2024-11-06
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
7KLZ
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BU of 7klz by Molmil
Structure of SPOP MATH domain in complex with a Geminin peptide
分子名称: Geminin peptide, PHOSPHATE ION, Speckle-type POZ protein
著者Cui, G, Botuyan, M.V, Mer, G.
登録日2020-11-01
公開日2021-08-18
最終更新日2024-10-23
実験手法X-RAY DIFFRACTION (3.4 Å)
主引用文献SPOP mutation induces replication over-firing by impairing Geminin ubiquitination and triggers replication catastrophe upon ATR inhibition.
Nat Commun, 12, 2021
8DKC
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BU of 8dkc by Molmil
P. gingivalis RNA Polymerase
分子名称: DNA-directed RNA polymerase subunit alpha, DNA-directed RNA polymerase subunit beta, DNA-directed RNA polymerase subunit beta', ...
著者Liu, B, Bu, F.
登録日2022-07-05
公開日2023-06-21
最終更新日2024-11-06
実験手法ELECTRON MICROSCOPY (3.5 Å)
主引用文献Cryo-EM Structure of Porphyromonas gingivalis RNA Polymerase.
J.Mol.Biol., 436, 2024
5Y7L
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BU of 5y7l by Molmil
Solution structure of Hbeta4 extracellular loop of BK potassium channel
分子名称: Calcium-activated potassium channel subunit beta-4
著者Wang, Y, Lan, W, Ding, J, Cao, C.
登録日2017-08-17
公開日2018-08-01
最終更新日2024-11-13
実験手法SOLUTION NMR
主引用文献Solution structure of extracellular loop of human beta 4 subunit of BK channel and its biological implication on ChTX sensitivity.
Sci Rep, 8, 2018

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