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PDB: 34568 件

3FRS
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BU of 3frs by Molmil
Structure of human IST1(NTD) (residues 1-189)(p43212)
分子名称: GLYCEROL, Uncharacterized protein KIAA0174
著者Schubert, H.L, Hill, C.P, Bajorek, M, Sundquist, W.I.
登録日2009-01-08
公開日2009-06-30
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (2.61 Å)
主引用文献Structural basis for ESCRT-III protein autoinhibition.
Nat.Struct.Mol.Biol., 16, 2009
6CUP
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BU of 6cup by Molmil
Ras:SOS:Ras in complex with a small molecule activator
分子名称: FORMIC ACID, GLYCEROL, GTPase HRas, ...
著者Phan, J, Abbott, J, Fesik, S.W.
登録日2018-03-26
公開日2019-02-06
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (1.833 Å)
主引用文献Discovery of Quinazolines That Activate SOS1-Mediated Nucleotide Exchange on RAS.
ACS Med Chem Lett, 9, 2018
8IFR
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BU of 8ifr by Molmil
SARS-CoV-2 3CL protease (3CLpro) in complex with compound 3
分子名称: (1R,2S,5S)-3-[(2S)-2-(tert-butylcarbamoylamino)-3,3-dimethyl-butanoyl]-6,6-dimethyl-N-[(2S)-5-oxidanylidene-1-[(3S)-2-oxidanylidenepyrrolidin-3-yl]hex-3-en-2-yl]-3-azabicyclo[3.1.0]hexane-2-carboxamide, 3C-like proteinase nsp5
著者Su, H.X, Zhao, W.F, Xie, H, Nie, T.Q, Li, M.J, Xu, Y.C.
登録日2023-02-19
公開日2023-10-18
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (1.66 Å)
主引用文献Structure-based development and preclinical evaluation of the SARS-CoV-2 3C-like protease inhibitor simnotrelvir.
Nat Commun, 14, 2023
8IGX
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BU of 8igx by Molmil
SARS-CoV-2 3CL protease (3CLpro) in complex with compound 9 (simnotrelvir, SIM0417, SSD8432)
分子名称: (8~{S})-~{N}-[(1~{S})-1-cyano-2-[(3~{S})-2-oxidanylidenepyrrolidin-3-yl]ethyl]-7-[(2~{S})-3,3-dimethyl-2-[2,2,2-tris(fluoranyl)ethanoylamino]butanoyl]-1,4-dithia-7-azaspiro[4.4]nonane-8-carboxamide, 3C-like proteinase nsp5
著者Su, H.X, Zhao, W.F, Xie, H, Nie, T.Q, Li, M.J, Xu, Y.C.
登録日2023-02-21
公開日2023-10-18
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Structure-based development and preclinical evaluation of the SARS-CoV-2 3C-like protease inhibitor simnotrelvir.
Nat Commun, 14, 2023
5VVT
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BU of 5vvt by Molmil
Structural Investigations of the Substrate Specificity of Human O-GlcNAcase
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, ELK1 peptide, Protein O-GlcNAcase
著者Li, B, Jiang, J, Li, H, Hu, C.-W.
登録日2017-05-20
公開日2017-09-27
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Structural insights into the substrate binding adaptability and specificity of human O-GlcNAcase.
Nat Commun, 8, 2017
8IGY
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BU of 8igy by Molmil
SARS-CoV-2 3CL protease (3CLpro) in complex with nirmatrelvir
分子名称: (1R,2S,5S)-N-{(1E,2S)-1-imino-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-6,6-dimethyl-3-[3-methyl-N-(trifluoroacetyl)-L-valyl]-3-azabicyclo[3.1.0]hexane-2-carboxamide, 3C-like proteinase nsp5
著者Su, H.X, Zhao, W.F, Xie, H, Nie, T.Q, Li, M.J, Xu, Y.C.
登録日2023-02-21
公開日2023-10-18
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (1.96 Å)
主引用文献Structure-based development and preclinical evaluation of the SARS-CoV-2 3C-like protease inhibitor simnotrelvir.
Nat Commun, 14, 2023
5C3S
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BU of 5c3s by Molmil
Crystal structure of the full-length Neurospora crassa T7H in complex with alpha-KG and 5-formyluracil (5fU)
分子名称: 1,2-ETHANEDIOL, 2,4-dioxo-1,2,3,4-tetrahydropyrimidine-5-carbaldehyde, 2-OXOGLUTARIC ACID, ...
著者Li, W, Zhang, T, Ding, J.
登録日2015-06-17
公開日2015-10-21
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (2.15 Å)
主引用文献Molecular basis for the substrate specificity and catalytic mechanism of thymine-7-hydroxylase in fungi
Nucleic Acids Res., 43, 2015
3JC8
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BU of 3jc8 by Molmil
Architectural model of the type IVa pilus machine in a piliated state
分子名称: LysM domain protein, PilA, PilN, ...
著者Chang, Y.-W, Rettberg, L.A, Jensen, G.J.
登録日2015-11-24
公開日2016-03-16
最終更新日2018-07-18
実験手法ELECTRON MICROSCOPY
主引用文献Architecture of the type IVa pilus machine.
Science, 351, 2016
5W53
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BU of 5w53 by Molmil
Crystal structure of the erythrocyte-binding domain from Plasmodium vivax reticulocyte-binding protein 2b (PvRBP2b)
分子名称: POTASSIUM ION, Reticulocyte binding protein 2, putative, ...
著者Gruszczyk, J, Tham, W.H.
登録日2017-06-13
公開日2017-11-29
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (1.71 Å)
主引用文献Transferrin receptor 1 is a reticulocyte-specific receptor for Plasmodium vivax.
Science, 359, 2018
3G2G
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BU of 3g2g by Molmil
S437Y Mutant of human muscle pyruvate kinase, isoform M2
分子名称: Pyruvate kinase isozymes M1/M2, SULFATE ION, UNKNOWN ATOM OR ION
著者Hong, B, Dimov, S, Allali-Hassani, A, Tempel, W, MacKenzie, F, Arrowsmith, C.H, Edwards, A.M, Bountra, c, Weigelt, J, Bochkarev, A, Vedadi, M, Park, H, Structural Genomics Consortium (SGC)
登録日2009-01-31
公開日2009-03-03
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献S437Y Mutant of human muscle pyruvate kinase, isoform M2
To be Published
1ZN0
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BU of 1zn0 by Molmil
Coordinates of RRF and EF-G fitted into Cryo-EM map of the 50S subunit bound with both EF-G (GDPNP) and RRF
分子名称: 16S RIBOSOMAL RNA, ELONGATION FACTOR G, Ribosome recycling factor
著者Gao, N, Zavialov, A.V, Li, W, Sengupta, J, Valle, M, Gursky, R.P, Ehrenberg, M, Frank, J.
登録日2005-05-11
公開日2005-06-14
最終更新日2024-02-14
実験手法ELECTRON MICROSCOPY (15.5 Å)
主引用文献Mechanism for the disassembly of the posttermination complex inferred from cryo-EM studies.
Mol.Cell, 18, 2005
4NN9
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BU of 4nn9 by Molmil
REFINED ATOMIC STRUCTURES OF N9 SUBTYPE INFLUENZA VIRUS NEURAMINIDASE AND ESCAPE MUTANTS
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, NEURAMINIDASE N9, ...
著者Tulip, W.R, Varghese, J.N, Baker, A.T, Vandonkelaar, A, Laver, W.G, Webster, R.G, Colman, P.M.
登録日1991-03-28
公開日1992-07-15
最終更新日2020-07-29
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Refined atomic structures of N9 subtype influenza virus neuraminidase and escape mutants.
J.Mol.Biol., 221, 1991
3K1E
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BU of 3k1e by Molmil
Crystal structure of odorant binding protein 1 (AaegOBP1) from Aedes aegypti
分子名称: 2,5,8,11,14,17,20,23,26,29,32,35,38,41,44,47,50,53,56,59,62,65,68,71,74,77,80-HEPTACOSAOXADOOCTACONTAN-82-OL, CHLORIDE ION, MAGNESIUM ION, ...
著者Leite, N.R, Krogh, R, Leal, W.S, Iulek, J, Oliva, G.
登録日2009-09-27
公開日2009-12-08
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献Structure of an odorant-binding protein from the mosquito Aedes aegypti suggests a binding pocket covered by a pH-sensitive "Lid".
Plos One, 4, 2009
1YY6
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BU of 1yy6 by Molmil
The Crystal Structure of the N-terminal domain of HAUSP/USP7 complexed with an EBNA1 peptide
分子名称: Epstein-Barr nuclear antigen-1, SODIUM ION, Ubiquitin carboxyl-terminal hydrolase 7
著者Saridakis, V, Sheng, Y, Sarkari, F, Holowaty, M, Shire, K, Nguyen, T, Zhang, R, Liao, J, Lee, W, Edwards, A.M, Arrowsmith, C.H, Frappier, L.
登録日2005-02-23
公開日2005-04-05
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Structure of the p53 binding domain of HAUSP/USP7 bound to Epstein-Barr nuclear antigen 1 implications for EBV-mediated immortalization.
Mol.Cell, 18, 2005
8OF7
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BU of 8of7 by Molmil
Cyc15 Diels Alderase
分子名称: 1,2-ETHANEDIOL, DI(HYDROXYETHYL)ETHER, GLYCEROL, ...
著者Back, C.R, Barringer, R.W.L, Zorn, K, Manzo-Ruiz, M, Race, P.R.
登録日2023-03-14
公開日2023-06-21
最終更新日2024-06-19
実験手法X-RAY DIFFRACTION (1.66 Å)
主引用文献Interrogation of an Enzyme Library Reveals the Catalytic Plasticity of Naturally Evolved [4+2] Cyclases.
Chembiochem, 24, 2023
6X4D
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BU of 6x4d by Molmil
Crystal Structure of HIV-1 Reverse Transcriptase in Complex with 5-(cyclopropylmethyl)-7-(2-(2-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)ethoxy)phenoxy)-8-methyl-2-naphthonitrile (JLJ678), a Non-nucleoside Inhibitor
分子名称: 5-(cyclopropylmethyl)-7-{2-[2-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)ethoxy]phenoxy}-8-methylnaphthalene-2-carbonitrile, Reverse transcriptase/ribonuclease H, SULFATE ION, ...
著者Chan, A.H, Duong, V.N, Ippolito, J.A, Jorgensen, W.L, Anderson, K.S.
登録日2020-05-22
公開日2020-07-22
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.65 Å)
主引用文献Structural investigation of 2-naphthyl phenyl ether inhibitors bound to WT and Y181C reverse transcriptase highlights key features of the NNRTI binding site.
Protein Sci., 29, 2020
5AAC
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BU of 5aac by Molmil
Structure of C1156Y Mutant Human Anaplastic Lymphoma Kinase in Complex with Crizotinib
分子名称: 3-[(1R)-1-(2,6-dichloro-3-fluorophenyl)ethoxy]-5-(1-piperidin-4-yl-1H-pyrazol-4-yl)pyridin-2-amine, ALK TYROSINE KINASE RECEPTOR
著者McTigue, M, Deng, Y, Liu, W, Brooun, A, Stewart, A.
登録日2015-07-23
公開日2016-06-08
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Resensitization to Crizotinib by the Lorlatinib Alk Resistance Mutation L1198F.
N.Engl.J.Med., 374, 2016
4CXW
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BU of 4cxw by Molmil
Crystal structure of human FTO in complex with subfamily-selective inhibitor 12
分子名称: (2E)-4-[N'-(4-benzyl-pyridine-3-carbonyl)-hydrazino]-4-oxo-but-2-enoic acid, ALPHA-KETOGLUTARATE-DEPENDENT DIOXYGENASE FTO, NICKEL (II) ION
著者Toh, D.W, Sun, L, Tan, J, Chen, Y, Lau, L.Z.M, Hong, W, Woon, E.C.Y, Gao, Y.G.
登録日2014-04-09
公開日2014-10-01
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (3.1 Å)
主引用文献A strategy based on nucleotide specificity leads to a subfamily-selective and cell-active inhibitor ofN6-methyladenosine demethylase FTO.
Chem Sci, 6, 2015
3DAQ
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BU of 3daq by Molmil
Crystal structure of dihydrodipicolinate synthase from methicillin-resistant Staphylococcus aureus
分子名称: CHLORIDE ION, Dihydrodipicolinate synthase, GLYCEROL
著者Dobson, R.C.J, Burgess, B.R, Jameson, G.B, Gerrard, J.A, Parker, M.W, Perugini, M.A.
登録日2008-05-29
公開日2008-08-05
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (1.45 Å)
主引用文献Structure and evolution of a novel dimeric enzyme from a clinically-important bacterial pathogen.
J.Biol.Chem., 2008
3DX9
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BU of 3dx9 by Molmil
Crystal Structure of the DM1 TCR at 2.75A
分子名称: DM1 T cell receptor alpha chain, DM1 T cell receptor beta chain
著者Archbold, J.K, Macdonald, W.A, Gras, S, Rossjohn, J.
登録日2008-07-24
公開日2009-01-27
最終更新日2011-07-13
実験手法X-RAY DIFFRACTION (2.75 Å)
主引用文献Natural micropolymorphism in human leukocyte antigens provides a basis for genetic control of antigen recognition.
J.Exp.Med., 206, 2009
5WP6
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BU of 5wp6 by Molmil
Cryo-EM structure of a human TRPM4 channel in complex with calcium and decavanadate
分子名称: DECAVANADATE, Transient receptor potential cation channel subfamily M member 4
著者Winkler, P.A, Huang, Y, Sun, W, Du, J, Lu, W.
登録日2017-08-03
公開日2017-12-13
最終更新日2024-05-15
実験手法ELECTRON MICROSCOPY (3.8 Å)
主引用文献Electron cryo-microscopy structure of a human TRPM4 channel.
Nature, 552, 2017
5CU1
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BU of 5cu1 by Molmil
Crystal structure of DMSP lyase DddQ from Ruegeria pomeroyi DSS-3
分子名称: DMSP lyase, FE (III) ION
著者Chong, S.Y, Moran, M.A, Lanzilotta, W.N, Whitman, W.B.
登録日2015-07-24
公開日2016-08-17
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献To be Published
To Be Published
1YCE
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BU of 1yce by Molmil
Structure of the rotor ring of F-type Na+-ATPase from Ilyobacter tartaricus
分子名称: NONAN-1-OL, SODIUM ION, subunit c
著者Meier, T, Polzer, P, Diederichs, K, Welte, W, Dimroth, P.
登録日2004-12-22
公開日2005-04-12
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Structure of the rotor ring of F-Type Na+-ATPase from Ilyobacter tartaricus.
Science, 308, 2005
8W4P
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BU of 8w4p by Molmil
Structure of PSII-FCPII-I/J/K complex in the PSII-FCPII supercomplex from Cyclotella meneghiniana
分子名称: (3S,3'R,5R,6S,7cis)-7',8'-didehydro-5,6-dihydro-5,6-epoxy-beta,beta-carotene-3,3'-diol, (3S,3'S,5R,5'R,6S,6'R,8'R)-3,5'-dihydroxy-8-oxo-6',7'-didehydro-5,5',6,6',7,8-hexahydro-5,6-epoxy-beta,beta-caroten-3'- yl acetate, CHLOROPHYLL A, ...
著者Shen, L.L, Li, Z.H, Shen, J.R, Wang, W.D.
登録日2023-08-24
公開日2023-12-20
実験手法ELECTRON MICROSCOPY (3.48 Å)
主引用文献Structural insights into photosystem II supercomplex and trimeric FCP antennae of a centric diatom Cyclotella meneghiniana.
Nat Commun, 14, 2023
5GM9
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BU of 5gm9 by Molmil
Crystal structure of a glycoside hydrolase in complex with cellobiose
分子名称: Glycoside hydrolase family 45 protein, beta-D-glucopyranose-(1-4)-alpha-D-glucopyranose, beta-D-glucopyranose-(1-4)-beta-D-glucopyranose
著者Gao, J, Liu, W.D, Zheng, Y.Y, Chen, C.C, Guo, R.T.
登録日2016-07-13
公開日2017-04-19
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (1.36 Å)
主引用文献Characterization and crystal structure of a thermostable glycoside hydrolase family 45 1,4-beta-endoglucanase from Thielavia terrestris
Enzyme Microb. Technol., 99, 2017

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