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5QCM
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BU of 5qcm by Molmil
FACTOR XIA IN COMPLEX WITH THE INHIBITOR methyl ~{N}-[4-[[(1~{S})-2-[(~{E})-3-[3-chloranyl-2-fluoranyl-6-(1,2,3,4-tetrazol-1-yl)phenyl]prop-2-enoyl]-3,4-dihydro-1~{H}-isoquinolin-1-yl]carbonylamino]phenyl]carbamate
分子名称: 1,2-ETHANEDIOL, Coagulation factor XI, SULFATE ION, ...
著者Sheriff, S.
登録日2017-08-10
公開日2017-11-08
最終更新日2018-02-21
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Discovery of a Parenteral Small Molecule Coagulation Factor XIa Inhibitor Clinical Candidate (BMS-962212).
J. Med. Chem., 60, 2017
8XRY
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BU of 8xry by Molmil
Cryo-EM structure of OSCA3.1-1.1ver(Y367N-G454S-Y458I)-open/open state
分子名称: CSC1-like protein ERD4
著者Zhang, Y, Han, Y.
登録日2024-01-08
公開日2024-04-10
最終更新日2024-05-08
実験手法ELECTRON MICROSCOPY (3.84 Å)
主引用文献Mechanical activation opens a lipid-lined pore in OSCA ion channels.
Nature, 628, 2024
8FYM
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BU of 8fym by Molmil
Crystal structure of Fab235 in complex with MPER peptide
分子名称: ALA-SER-LEU-TRP-ASN-TRP-PHE-ASN-ILE-THR-ASN-TRP-LEU-TRP-TYR-ILE-LYS-LYS-LYS, CHLORIDE ION, Fab235, ...
著者Tan, K, Kim, M, Reinherz, E.L.
登録日2023-01-26
公開日2023-10-11
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (2.45 Å)
主引用文献Inadequate structural constraint on Fab approach rather than paratope elicitation limits HIV-1 MPER vaccine utility.
Nat Commun, 14, 2023
8FWF
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BU of 8fwf by Molmil
Crystal structure of Apo form Fab235
分子名称: 1,2-ETHANEDIOL, ACETATE ION, CHLORIDE ION, ...
著者Tan, K, Kim, M, Reinherz, E.L.
登録日2023-01-21
公開日2023-10-11
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (1.94 Å)
主引用文献Inadequate structural constraint on Fab approach rather than paratope elicitation limits HIV-1 MPER vaccine utility.
Nat Commun, 14, 2023
8FXJ
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BU of 8fxj by Molmil
Crystal structure of Fab460
分子名称: ACETATE ION, CHLORIDE ION, Fab460, ...
著者Tan, K, Kim, M, Reinherz, E.L.
登録日2023-01-24
公開日2023-10-11
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Inadequate structural constraint on Fab approach rather than paratope elicitation limits HIV-1 MPER vaccine utility.
Nat Commun, 14, 2023
8FZ2
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BU of 8fz2 by Molmil
Crystal structure of Fab460 in complex with MPER peptide
分子名称: Fab460, H chain, L chain, ...
著者Tan, K, Kim, M, Reinherz, E.L.
登録日2023-01-27
公開日2023-10-11
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (3.5 Å)
主引用文献Inadequate structural constraint on Fab approach rather than paratope elicitation limits HIV-1 MPER vaccine utility.
Nat Commun, 14, 2023
8BRI
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BU of 8bri by Molmil
VaPomAB MSP1D1 nanodisc
分子名称: Chemotaxis protein PomA, Flagellar motor protein
著者Hu, H, Taylor, N.M.I.
登録日2022-11-23
公開日2023-06-14
最終更新日2023-12-27
実験手法ELECTRON MICROSCOPY (3.9 Å)
主引用文献Ion selectivity and rotor coupling of the Vibrio flagellar sodium-driven stator unit.
Nat Commun, 14, 2023
8BRD
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BU of 8brd by Molmil
Mechanisms of ion selectivity and rotor coupling in the bacterial flagellar sodium-driven stator unit
分子名称: Chemotaxis protein PomA, Flagellar motor protein,VaPomB, SODIUM ION
著者Hu, H, Taylor, N.M.I.
登録日2022-11-23
公開日2023-06-14
最終更新日2023-12-27
実験手法ELECTRON MICROSCOPY (2.48 Å)
主引用文献Ion selectivity and rotor coupling of the Vibrio flagellar sodium-driven stator unit.
Nat Commun, 14, 2023
5Q0E
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BU of 5q0e by Molmil
FACTOR XIA IN COMPLEX WITH THE INHIBITOR methyl [(4S,8S)-8-({(2E)-3-[5-chloro-2-(1H-tetrazol-1-yl)phenyl]prop-2-enoyl}amino)-4-methyl-2-oxo-1,3,4,5,6,7,8,10-octahydro-2H-12,9-(azeno)-1,10-benzodiazacyclotetradecin-15-yl]carbamate
分子名称: 1,2-ETHANEDIOL, Coagulation factor XI, SULFATE ION, ...
著者Sheriff, S.
登録日2017-05-01
公開日2017-07-12
最終更新日2018-02-21
実験手法X-RAY DIFFRACTION (2.12 Å)
主引用文献Macrocyclic inhibitors of Factor XIa: Discovery of alkyl-substituted macrocyclic amide linkers with improved potency.
Bioorg. Med. Chem. Lett., 27, 2017
7Q6C
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BU of 7q6c by Molmil
complement C6 FIM1-2 bound to CP010 antibody
分子名称: ACETATE ION, CP010 heavy chain, CP010 light chain, ...
著者Olesen, H.G, Andersen, G.R.
登録日2021-11-06
公開日2022-05-25
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (2.29274 Å)
主引用文献Development, Characterization, and in vivo Validation of a Humanized C6 Monoclonal Antibody that Inhibits the Membrane Attack Complex.
J Innate Immun, 2022
8CIJ
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BU of 8cij by Molmil
CRYSTAL STRUCTURE OF HUMAN HPK1 (MAP4K1) COMPLEX WITH 2-[8-Amino-7-fluoro-6-(8-methyl-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazin-7-yl)-isoquinolin-3-ylamino]-6-isopropyl-5,6-dihydro-4H-1,6,8a-triaza-azulen-7-one
分子名称: 2-[[8-azanyl-7-fluoranyl-6-(8-methyl-2,3-dihydro-1~{H}-pyrido[2,3-b][1,4]oxazin-7-yl)isoquinolin-3-yl]amino]-6-propan-2-yl-5,8-dihydro-4~{H}-pyrazolo[1,5-d][1,4]diazepin-7-one, Mitogen-activated protein kinase kinase kinase kinase 1
著者Musil, D, Toure, M.
登録日2023-02-09
公開日2023-08-16
実験手法X-RAY DIFFRACTION (2.821 Å)
主引用文献Discovery of quinazoline HPK1 inhibitors with high cellular potency.
Bioorg.Med.Chem., 92, 2023
8CDW
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BU of 8cdw by Molmil
CRYSTAL STRUCTURE OF HUMAN HPK1 (MAP4K1) COMPLEX WITH 7-(1-methyl-1H-pyrazol-4-yl)-N-[4-(1-methylpiperidin-4-yl)phenyl]quinazolin-2-amine
分子名称: Mitogen-activated protein kinase kinase kinase kinase 1, ~{N}-[4-(1-methylpiperidin-4-yl)phenyl]-7-(1-methylpyrazol-4-yl)quinazolin-2-amine
著者Musil, D, Toure, M.
登録日2023-02-01
公開日2023-08-16
実験手法X-RAY DIFFRACTION (1.941 Å)
主引用文献Discovery of quinazoline HPK1 inhibitors with high cellular potency.
Bioorg.Med.Chem., 92, 2023
6RZ3
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BU of 6rz3 by Molmil
Crystal structure of a complex between the DNA-binding domain of p53 and the carboxyl-terminal conserved region of iASPP
分子名称: Cellular tumor antigen p53, RelA-associated inhibitor, ZINC ION
著者Chen, S, Ren, J, Jones, E.Y, Lu, X.
登録日2019-06-12
公開日2019-10-30
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (4.23 Å)
主引用文献iASPP mediates p53 selectivity through a modular mechanism fine-tuning DNA recognition.
Proc.Natl.Acad.Sci.USA, 116, 2019
5Q0G
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BU of 5q0g by Molmil
FACTOR XIA IN COMPLEX WITH THE INHIBITOR methyl [(3R,7S)-7-({(2E)-3-[5-chloro-2-(1H-tetrazol-1-yl)phenyl]prop-2-enoyl}amino)-3-ethyl-2-oxo-1,2,3,4,5,6,7,9-octahydro-11,8-(azeno)-1,9-benzodiazacyclotridecin-14-yl]carbamate
分子名称: 1,2-ETHANEDIOL, Coagulation factor XI, SULFATE ION, ...
著者Sheriff, S.
登録日2017-05-01
公開日2017-07-12
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Macrocyclic inhibitors of Factor XIa: Discovery of alkyl-substituted macrocyclic amide linkers with improved potency.
Bioorg. Med. Chem. Lett., 27, 2017
5Q0H
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BU of 5q0h by Molmil
FACTOR XIA IN COMPLEX WITH THE INHIBITOR methyl [(4R,5E,8S)-11-chloro-8-[(2,6-difluoro-4-methylbenzene-1-carbonyl)amino]-4-methyl-2-oxo-1,3,4,7,8,10-hexahydro-2H-12,9-(azeno)-1,10-benzodiazacyclotetradecin-15-yl]carbamate
分子名称: 1,2-ETHANEDIOL, Coagulation factor XI, SULFATE ION, ...
著者Sheriff, S.
登録日2017-05-01
公開日2017-07-12
最終更新日2018-02-21
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Macrocyclic inhibitors of Factor XIa: Discovery of alkyl-substituted macrocyclic amide linkers with improved potency.
Bioorg. Med. Chem. Lett., 27, 2017
5Q0D
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BU of 5q0d by Molmil
FACTOR XIA IN COMPLEX WITH THE INHIBITOR methyl [(7S)-7-({(2E)-3-[5-chloro-2-(1H-tetrazol-1-yl)phenyl]prop-2-enoyl}amino)-2-oxo-1,2,3,4,5,6,7,9-octahydro-11,8-(azeno)-1,9-benzodiazacyclotridecin-14-yl]carbamate
分子名称: 1,2-ETHANEDIOL, Coagulation factor XI, SULFATE ION, ...
著者Sheriff, S.
登録日2017-05-01
公開日2017-07-12
最終更新日2018-02-21
実験手法X-RAY DIFFRACTION (2.12 Å)
主引用文献Macrocyclic inhibitors of Factor XIa: Discovery of alkyl-substituted macrocyclic amide linkers with improved potency.
Bioorg. Med. Chem. Lett., 27, 2017
5Q0F
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BU of 5q0f by Molmil
FACTOR XIA IN COMPLEX WITH THE INHIBITOR methyl [(4R,5E,8S)-8-({(2E)-3-[5-chloro-2-(1H-tetrazol-1-yl)phenyl]prop-2-enoyl}amino)-4-methyl-2-oxo-1,3,4,7,8,10-hexahydro-2H-12,9-(azeno)-1,10-benzodiazacyclotetradecin-15-yl]carbamate
分子名称: 1,2-ETHANEDIOL, Coagulation factor XI, MET-ASP-ASP-ASP-ASP-LYS-MET-ASP-ASN-GLU-CYS-THR-THR-LYS-ILE-LYS-PRO-ARG, ...
著者Sheriff, S.
登録日2017-05-01
公開日2017-07-12
最終更新日2018-02-21
実験手法X-RAY DIFFRACTION (2.12 Å)
主引用文献Macrocyclic inhibitors of Factor XIa: Discovery of alkyl-substituted macrocyclic amide linkers with improved potency.
Bioorg. Med. Chem. Lett., 27, 2017
1F03
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BU of 1f03 by Molmil
SOLUTION STRUCTURE OF OXIDIZED BOVINE MICROSOMAL CYTOCHROME B5 MUTANT (E44A, E48A, E56A, D60A) AND ITS INTERACTION WITH CYTOCHROME C
分子名称: CYTOCHROME B5, PROTOPORPHYRIN IX CONTAINING FE
著者Wu, Y.B, Lu, J, Qian, C.M, Tang, W.X, Li, E.C, Wang, J.F, Wang, Y.H, Wang, W.H, Lu, J.X, Xie, Y, Huang, Z.X.
登録日2000-05-14
公開日2000-06-21
最終更新日2024-05-22
実験手法SOLUTION NMR
主引用文献Solution structure of cytochrome b(5) mutant (E44/48/56A/D60A) and its interaction with cytochrome c.
Eur.J.Biochem., 268, 2001
8WBX
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BU of 8wbx by Molmil
Cryo-EM structure of the ABCG25 bound to ABA
分子名称: (2Z,4E)-5-[(1S)-1-hydroxy-2,6,6-trimethyl-4-oxocyclohex-2-en-1-yl]-3-methylpenta-2,4-dienoic acid, ABC transporter G family member 25
著者Xin, J, Yan, K.G.
登録日2023-09-10
公開日2023-09-27
最終更新日2024-04-10
実験手法ELECTRON MICROSCOPY (3.23 Å)
主引用文献Structural insights into AtABCG25, an angiosperm-specific abscisic acid exporter.
Plant Commun., 5, 2024
8WAM
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BU of 8wam by Molmil
Cryo-EM structure of the ABCG25 E232Q mutant bound to ATP and Magnesium
分子名称: ABC transporter G family member 25, ADENOSINE-5'-TRIPHOSPHATE, MAGNESIUM ION
著者Xin, J, Yan, K.G.
登録日2023-09-07
公開日2023-09-27
最終更新日2024-04-10
実験手法ELECTRON MICROSCOPY (3.23 Å)
主引用文献Structural insights into AtABCG25, an angiosperm-specific abscisic acid exporter.
Plant Commun., 5, 2024
1F04
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BU of 1f04 by Molmil
SOLUTION STRUCTURE OF OXIDIZED BOVINE MICROSOMAL CYTOCHROME B5 MUTANT (E44A, E48A, E56A, D60A) AND ITS INTERACTION WITH CYTOCHROME C
分子名称: CYTOCHROME B5, PROTOPORPHYRIN IX CONTAINING FE
著者Wu, Y.B, Lu, J, Qian, C.M, Tang, W.X, Li, E.C, Wang, J.F, Wang, Y.H, Wang, W.H, Lu, J.X, Xie, Y, Huang, Z.X.
登録日2000-05-14
公開日2000-06-21
最終更新日2024-05-22
実験手法SOLUTION NMR
主引用文献Solution structure of cytochrome b(5) mutant (E44/48/56A/D60A) and its interaction with cytochrome c.
Eur.J.Biochem., 268, 2001
8WD6
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BU of 8wd6 by Molmil
Cryo-EM structure of the ABCG25
分子名称: ABC transporter G family member 25
著者Xin, J, Yan, K.G.
登録日2023-09-14
公開日2023-09-27
最終更新日2024-04-10
実験手法ELECTRON MICROSCOPY (2.87 Å)
主引用文献Structural insights into AtABCG25, an angiosperm-specific abscisic acid exporter.
Plant Commun., 5, 2024
8WBA
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BU of 8wba by Molmil
Cryo-EM structure of the ABCG25 bound to CHS
分子名称: ABC transporter G family member 25, CHOLESTEROL HEMISUCCINATE
著者Xin, J, Yan, K.G.
登録日2023-09-09
公開日2023-09-27
最終更新日2024-04-10
実験手法ELECTRON MICROSCOPY (3.1 Å)
主引用文献Structural insights into AtABCG25, an angiosperm-specific abscisic acid exporter.
Plant Commun., 5, 2024
6XP5
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BU of 6xp5 by Molmil
Head-Middle module of Mediator
分子名称: HEAT, Med22, Mediator of RNA polymerase II transcription subunit 1, ...
著者Zhang, H.Q, Chen, D.C, Kornberg, R.D.
登録日2020-07-08
公開日2021-03-03
最終更新日2024-05-15
実験手法ELECTRON MICROSCOPY (4.2 Å)
主引用文献Mediator structure and conformation change.
Mol.Cell, 81, 2021
8C3Y
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BU of 8c3y by Molmil
HB3VAR03 apo headstructure (PfEMP1 A)
分子名称: PfEMP1
著者Raghavan, S.S.R, Lavstsen, T, Wang, K.T.
登録日2022-12-29
公開日2023-08-02
最終更新日2023-12-27
実験手法ELECTRON MICROSCOPY (3.8 Å)
主引用文献Endothelial protein C receptor binding induces conformational changes to severe malaria-associated group A PfEMP1.
Structure, 31, 2023

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