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6ZCZ
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BU of 6zcz by Molmil
Crystal structure of receptor binding domain of SARS-CoV-2 Spike glycoprotein in ternary complex with EY6A Fab and a nanobody.
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, CHLORIDE ION, EY6A heavy chain, ...
著者Zhou, D, Zhao, Y, Fry, E.E, Ren, J, Stuart, D.I.
登録日2020-06-12
公開日2020-06-24
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (2.65 Å)
主引用文献Structural basis for the neutralization of SARS-CoV-2 by an antibody from a convalescent patient.
Nat.Struct.Mol.Biol., 27, 2020
7PBQ
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BU of 7pbq by Molmil
RuvAB branch migration motor complexed to the Holliday junction - RuvB AAA+ state s0+A [t2 dataset]
分子名称: ADENOSINE-5'-DIPHOSPHATE, Holliday junction ATP-dependent DNA helicase RuvA, Holliday junction ATP-dependent DNA helicase RuvB, ...
著者Goessweiner-Mohr, N, Fahrenkamp, D, Wald, J, Marlovits, T.C.
登録日2021-08-02
公開日2022-09-14
最終更新日2024-07-17
実験手法ELECTRON MICROSCOPY (3.1 Å)
主引用文献Mechanism of AAA+ ATPase-mediated RuvAB-Holliday junction branch migration.
Nature, 609, 2022
1HTO
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BU of 1hto by Molmil
CRYSTALLOGRAPHIC STRUCTURE OF A RELAXED GLUTAMINE SYNTHETASE FROM MYCOBACTERIUM TUBERCULOSIS
分子名称: ADENOSINE MONOPHOSPHATE, CITRIC ACID, GLUTAMINE SYNTHETASE, ...
著者Gill, H.S, Eisenberg, D, TB Structural Genomics Consortium (TBSGC)
登録日2001-01-01
公開日2002-07-24
最終更新日2023-08-09
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Multicopy crystallographic refinement of a relaxed glutamine synthetase from Mycobacterium tuberculosis highlights flexible loops in the enzymatic mechanism and its regulation.
Biochemistry, 41, 2002
7PBS
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BU of 7pbs by Molmil
RuvAB branch migration motor complexed to the Holliday junction - RuvB AAA+ state s0+A [t1 dataset]
分子名称: ADENOSINE-5'-DIPHOSPHATE, Holliday junction ATP-dependent DNA helicase RuvA, Holliday junction ATP-dependent DNA helicase RuvB, ...
著者Goessweiner-Mohr, N, Fahrenkamp, D, Wald, J, Marlovits, T.C.
登録日2021-08-02
公開日2022-09-14
最終更新日2024-07-17
実験手法ELECTRON MICROSCOPY (3.3 Å)
主引用文献Mechanism of AAA+ ATPase-mediated RuvAB-Holliday junction branch migration.
Nature, 609, 2022
1HPT
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BU of 1hpt by Molmil
THREE-DIMENSIONAL STRUCTURE OF A RECOMBINANT VARIANT OF HUMAN PANCREATIC SECRETORY TRYPSIN INHIBITOR (KAZAL TYPE)
分子名称: PANCREATIC SECRETORY TRYPSIN INHIBITOR (KAZAL TYPE) VARIANT 3
著者Hecht, H.J, Szardenings, M, Collins, J, Schomburg, D.
登録日1992-03-27
公開日1993-10-31
最終更新日2024-06-05
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Three-dimensional structure of a recombinant variant of human pancreatic secretory trypsin inhibitor (Kazal type).
J.Mol.Biol., 225, 1992
6ZFM
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BU of 6zfm by Molmil
Structure of alpha-Cobratoxin with a peptide inhibitor
分子名称: 3-[2-[2-[2-[2-[2-(2-azanylethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propan-1-ol, Alpha-cobratoxin, PENTAETHYLENE GLYCOL, ...
著者Kiontke, S, Kummel, D.
登録日2020-06-17
公開日2020-12-02
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Peptide Inhibitors of the alpha-Cobratoxin-Nicotinic Acetylcholine Receptor Interaction.
J.Med.Chem., 63, 2020
7K4W
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BU of 7k4w by Molmil
Crystal structure of Kemp Eliminase HG3.17 in the inactive state
分子名称: CALCIUM ION, Endo-1,4-beta-xylanase
著者Padua, R.A.P, Otten, R, Bunzel, A, Nguyen, V, Pitsawong, W, Patterson, M, Sui, S, Perry, S.L, Cohen, A.E, Hilvert, D, Kern, D.
登録日2020-09-16
公開日2020-12-02
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献How directed evolution reshapes the energy landscape in an enzyme to boost catalysis.
Science, 370, 2020
6ZIR
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BU of 6zir by Molmil
CRYSTAL STRUCTURE OF NRAS (C118S) IN COMPLEX WITH GDP AND COMPOUND 18
分子名称: (3~{S})-3-[2-[(dimethylamino)methyl]-1~{H}-indol-3-yl]-5-oxidanyl-2,3-dihydroisoindol-1-one, GTPase NRas, GUANOSINE-5'-DIPHOSPHATE, ...
著者Kessler, D, Fischer, G, Boettcher, J.
登録日2020-06-26
公開日2020-08-19
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Drugging all RAS isoforms with one pocket.
Future Med Chem, 12, 2020
7PBR
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BU of 7pbr by Molmil
RuvAB branch migration motor complexed to the Holliday junction - RuvB AAA+ state s0-A [t2 dataset]
分子名称: ADENOSINE-5'-DIPHOSPHATE, Holliday junction ATP-dependent DNA helicase RuvB, MAGNESIUM ION, ...
著者Goessweiner-Mohr, N, Fahrenkamp, D, Wald, J, Marlovits, T.C.
登録日2021-08-02
公開日2022-09-14
最終更新日2024-07-17
実験手法ELECTRON MICROSCOPY (3 Å)
主引用文献Mechanism of AAA+ ATPase-mediated RuvAB-Holliday junction branch migration.
Nature, 609, 2022
6ZIW
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BU of 6ziw by Molmil
The IRAK3 Pseudokinase Domain Bound To ATPgammaS
分子名称: Interleukin-1 receptor-associated kinase 3, PHOSPHOTHIOPHOSPHORIC ACID-ADENYLATE ESTER, SULFATE ION
著者Mathea, S, Chatterjee, D, Preuss, F, Kraemer, A, Knapp, S.
登録日2020-06-26
公開日2020-07-22
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (2.18 Å)
主引用文献The IRAK3 Pseudokinase Domain Bound To ATPgammaS
To Be Published
6ZJ0
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BU of 6zj0 by Molmil
CRYSTAL STRUCTURE OF HRAS-G12D IN COMPLEX WITH GCP AND COMPOUND 18
分子名称: (3~{S})-3-[2-[(dimethylamino)methyl]-1~{H}-indol-3-yl]-5-oxidanyl-2,3-dihydroisoindol-1-one, GTPase HRas, MAGNESIUM ION, ...
著者Kessler, D, Fischer, G, Boettcher, J.
登録日2020-06-26
公開日2020-08-19
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.763 Å)
主引用文献Drugging all RAS isoforms with one pocket.
Future Med Chem, 12, 2020
1HIB
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BU of 1hib by Molmil
THE STRUCTURE OF AN INTERLEUKIN-1 BETA MUTANT WITH REDUCED BIOACTIVITY SHOWS MULTIPLE SUBTLE CHANGES IN CONFORMATION THAT AFFECT PROTEIN-PROTEIN RECOGNITION
分子名称: INTERLEUKIN-1 BETA
著者Camacho, N.P, Smith, D.R, Goldman, A, Schneider, B, Green, D, Young, P.R, Berman, H.M.
登録日1993-03-29
公開日1994-01-31
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Structure of an interleukin-1 beta mutant with reduced bioactivity shows multiple subtle changes in conformation that affect protein-protein recognition.
Biochemistry, 32, 1993
6ZK9
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BU of 6zk9 by Molmil
Peripheral domain of open complex I during turnover
分子名称: 1,2-DIACYL-SN-GLYCERO-3-PHOSPHOCHOLINE, 1,2-DIACYL-SN-GLYCERO-3-PHOSPHOETHANOLAMINE, 1,4-DIHYDRONICOTINAMIDE ADENINE DINUCLEOTIDE, ...
著者Kampjut, D, Sazanov, L.A.
登録日2020-06-30
公開日2020-10-07
最終更新日2020-11-11
実験手法ELECTRON MICROSCOPY (2.3 Å)
主引用文献The coupling mechanism of mammalian respiratory complex I.
Science, 370, 2020
6ZKN
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BU of 6zkn by Molmil
Complex I inhibited by rotenone, open3
分子名称: (2R,6aS,12aS)-8,9-dimethoxy-2-(prop-1-en-2-yl)-1,2,12,12a-tetrahydrofuro[2',3':7,8][1]benzopyrano[2,3-c][1]benzopyran-6(6aH)-one, 1,2-DIACYL-SN-GLYCERO-3-PHOSPHOCHOLINE, 1,2-DIACYL-SN-GLYCERO-3-PHOSPHOETHANOLAMINE, ...
著者Kampjut, D, Sazanov, L.A.
登録日2020-06-30
公開日2020-10-07
最終更新日2020-11-11
実験手法ELECTRON MICROSCOPY (2.9 Å)
主引用文献The coupling mechanism of mammalian respiratory complex I.
Science, 370, 2020
6ZKQ
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BU of 6zkq by Molmil
Native complex I, open2
分子名称: 1,2-DIACYL-SN-GLYCERO-3-PHOSPHOCHOLINE, 1,2-DIACYL-SN-GLYCERO-3-PHOSPHOETHANOLAMINE, ADENOSINE MONOPHOSPHATE, ...
著者Kampjut, D, Sazanov, L.A.
登録日2020-06-30
公開日2020-10-07
最終更新日2020-11-11
実験手法ELECTRON MICROSCOPY (3.3 Å)
主引用文献The coupling mechanism of mammalian respiratory complex I.
Science, 370, 2020
6ZI8
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BU of 6zi8 by Molmil
X-ray diffraction structure of bovine insulin at 2.3 A resolution
分子名称: CHLORIDE ION, Insulin, ZINC ION
著者Housset, D, Ling, W.L, Bacia-Verloop, M, Zander, U, McCarthy, A.A, Schoehn, G.
登録日2020-06-25
公開日2021-01-20
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Statistically correcting dynamical electron scattering improves the refinement of protein nanocrystals, including charge refinement of coordinated metals.
Acta Crystallogr D Struct Biol, 77, 2021
6ZKC
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BU of 6zkc by Molmil
Complex I during turnover, closed
分子名称: 1,2-DIACYL-SN-GLYCERO-3-PHOSPHOCHOLINE, 1,2-DIACYL-SN-GLYCERO-3-PHOSPHOETHANOLAMINE, 1,4-DIHYDRONICOTINAMIDE ADENINE DINUCLEOTIDE, ...
著者Kampjut, D, Sazanov, L.A.
登録日2020-06-30
公開日2020-10-07
最終更新日2020-11-11
実験手法ELECTRON MICROSCOPY (3.1 Å)
主引用文献The coupling mechanism of mammalian respiratory complex I.
Science, 370, 2020
1VSR
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BU of 1vsr by Molmil
VERY SHORT PATCH REPAIR (VSR) ENDONUCLEASE FROM ESCHERICHIA COLI
分子名称: PROTEIN (VSR ENDONUCLEASE), ZINC ION
著者Tsutakawa, S.E, Muto, T, Jingami, H, Kunishima, N, Ariyoshi, M, Kohda, D, Nakagawa, M, Morikawa, K.
登録日1999-02-13
公開日1999-10-27
最終更新日2023-12-27
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Crystallographic and functional studies of very short patch repair endonuclease.
Mol.Cell, 3, 1999
6ZKR
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BU of 6zkr by Molmil
Native complex I, open3
分子名称: 1,2-DIACYL-SN-GLYCERO-3-PHOSPHOCHOLINE, 1,2-DIACYL-SN-GLYCERO-3-PHOSPHOETHANOLAMINE, ADENOSINE MONOPHOSPHATE, ...
著者Kampjut, D, Sazanov, L.A.
登録日2020-06-30
公開日2020-10-07
最終更新日2020-11-11
実験手法ELECTRON MICROSCOPY (3.5 Å)
主引用文献The coupling mechanism of mammalian respiratory complex I.
Science, 370, 2020
6YT6
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BU of 6yt6 by Molmil
FOCAL ADHESION KINASE CATALYTIC DOMAIN IN COMPLEX WITH N-Methyl-N-(3-{[2-(2-oxo-2,3-dihydro-1H-indol-5-ylamino)-pyrimidin-4-ylamino]-methyl}-pyridin-2-yl)-methanesulfonamide
分子名称: Focal adhesion kinase 1, SULFATE ION, ~{N}-methyl-~{N}-[3-[[[2-[(2-oxidanylidene-1,3-dihydroindol-5-yl)amino]pyrimidin-4-yl]amino]methyl]pyridin-2-yl]methanesulfonamide
著者Musil, D, Heinrich, T.
登録日2020-04-23
公開日2021-02-10
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.537 Å)
主引用文献Structure-kinetic relationship reveals the mechanism of selectivity of FAK inhibitors over PYK2.
Cell Chem Biol, 28, 2021
1VT8
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BU of 1vt8 by Molmil
Crystal structure of D(GGGCGCCC)-hexagonal form
分子名称: DNA (5'-D(*GP*GP*GP*CP*GP*CP*CP*C)-3')
著者Shakked, Z, Guerstein-Guzikevich, G, Eisenstein, M, Frolow, F, Rabinovich, D.
登録日1996-12-02
公開日2011-07-13
最終更新日2023-12-27
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献The conformation of the DNA double helix in the crystal is dependent on its environment.
Nature, 342, 1989
1HKO
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BU of 1hko by Molmil
NMR structure of bovine cytochrome b5
分子名称: CYTOCHROME B5, PROTOPORPHYRIN IX CONTAINING FE
著者Muskett, F.W, Whitford, D.
登録日2003-03-10
公開日2003-03-18
最終更新日2024-05-15
実験手法SOLUTION NMR
主引用文献The Solution Structure of Bovine Ferricytochrome B5 Determined Using Heteronuclear NMR Methods.
J.Mol.Biol., 258, 1996
6YXV
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BU of 6yxv by Molmil
FOCAL ADHESION KINASE CATALYTIC DOMAIN IN COMPLEX WITH N-Methyl-N-{3-[(2-phenylamino-5-trifluoromethyl-pyrimidin-4-ylamino)-methyl]-pyridin-2-yl}-methanesulfonamide
分子名称: Focal adhesion kinase 1, SULFATE ION, ~{N}-methyl-~{N}-[3-[(~{E})-[2-phenylazanyl-5-(trifluoromethyl)pyrimidin-4-yl]iminomethyl]pyridin-2-yl]methanesulfonamide
著者Musil, D, Heinrich, T, Amaral, M.
登録日2020-05-04
公開日2021-02-10
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (2.298 Å)
主引用文献Structure-kinetic relationship reveals the mechanism of selectivity of FAK inhibitors over PYK2.
Cell Chem Biol, 28, 2021
6YVY
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BU of 6yvy by Molmil
FOCAL ADHESION KINASE CATALYTIC DOMAIN IN COMPLEX WITH 4-{[4-{[(1R,2R)-2-(dimethylamino)cyclopentyl]amino}-5-(trifluoromethyl)pyrimidin-2-yl]amino}-N-methylbenzenesulfonamide
分子名称: 4-{[4-{[(1R,2R)-2-(dimethylamino)cyclopentyl]amino}-5-(trifluoromethyl)pyrimidin-2-yl]amino}-N-methylbenzenesulfonamide, Focal adhesion kinase 1, SULFATE ION
著者Musil, D, Amaral, M.
登録日2020-04-28
公開日2021-02-10
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.918 Å)
主引用文献Structure-kinetic relationship reveals the mechanism of selectivity of FAK inhibitors over PYK2.
Cell Chem Biol, 28, 2021
1HYV
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BU of 1hyv by Molmil
HIV INTEGRASE CORE DOMAIN COMPLEXED WITH TETRAPHENYL ARSONIUM
分子名称: CHLORIDE ION, INTEGRASE, SULFATE ION, ...
著者Molteni, V, Greenwald, J, Rhodes, D, Hwang, Y, Kwiatkowski, W, Bushman, F.D, Siegel, J.S, Choe, S.
登録日2001-01-22
公開日2001-04-04
最終更新日2021-10-27
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Identification of a small-molecule binding site at the dimer interface of the HIV integrase catalytic domain.
Acta Crystallogr.,Sect.D, 57, 2001

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