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5YAS
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HYDROXYNITRILE LYASE COMPLEXED WITH HEXAFLUOROACETONE
分子名称: 1,1,1,3,3,3-HEXAFLUOROPROPANEDIOL, PROTEIN (HYDROXYNITRILE LYASE), SULFATE ION
著者Zuegg, J, Wagner, U.G, Gugganig, M, Kratky, C.
登録日1999-03-15
公開日1999-10-13
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Three-dimensional structures of enzyme-substrate complexes of the hydroxynitrile lyase from Hevea brasiliensis.
Protein Sci., 8, 1999
7BGH
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BU of 7bgh by Molmil
Solution structure of the chloroplast outer envelope channel OEP21
分子名称: Outer envelope pore protein 21, chloroplastic
著者Hagn, F, Haeusler, E.
登録日2021-01-07
公開日2022-01-19
最終更新日2024-06-19
実験手法SOLUTION NMR
主引用文献Structural basis of metabolite transport by the chloroplast outer envelope channel OEP21.
Nat.Struct.Mol.Biol., 2023
5U4X
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BU of 5u4x by Molmil
Coactivator-associated arginine methyltransferase 1 with TP-064
分子名称: Histone-arginine methyltransferase CARM1, N-methyl-N-[(2-{1-[2-(methylamino)ethyl]piperidin-4-yl}pyridin-4-yl)methyl]-3-phenoxybenzamide, S-ADENOSYL-L-HOMOCYSTEINE, ...
著者DONG, A, ZENG, H, Saikatendu, K.S, STONE, H, WALKER, J.R, Seitova, A, Hutchinson, A, Bountra, C, Arrowsmith, C.H, Edwards, A.M, BROWN, P.J, WU, H, Structural Genomics Consortium (SGC)
登録日2016-12-06
公開日2016-12-21
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (1.88 Å)
主引用文献TP-064, a potent and selective small molecule inhibitor of PRMT4 for multiple myeloma.
Oncotarget, 9, 2018
5JOH
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BU of 5joh by Molmil
CRYSTAL STRUCTURE OF CSN5(2-257) IN COMPLEX WITH CNS5i-1b
分子名称: (4S)-2-METHYL-2,4-PENTANEDIOL, 2'-chloro-6-[(5S,6S)-6-hydroxy-6,7,8,9-tetrahydro-5H-imidazo[1,5-a]azepin-5-yl][1,1'-biphenyl]-3-carbonitrile, COP9 signalosome complex subunit 5, ...
著者Renatus, M, Wiesmann, C.
登録日2016-05-02
公開日2016-11-02
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.99 Å)
主引用文献Targeted inhibition of the COP9 signalosome for treatment of cancer.
Nat Commun, 7, 2016
5CTN
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BU of 5ctn by Molmil
Structure of BPu1 beta-lactamase
分子名称: (2~{S},3~{R})-3-methyl-2-[(2~{S},3~{R})-3-oxidanyl-1-oxidanylidene-butan-2-yl]-4-[(3~{S},5~{S})-5-[(sulfamoylamino)meth yl]pyrrolidin-3-yl]sulfanyl-3,4-dihydro-2~{H}-pyrrole-5-carboxylic acid, Beta-lactamase, CITRATE ANION
著者Smith, C.A, Vakulenko, S.B.
登録日2015-07-24
公開日2015-11-25
最終更新日2024-10-16
実験手法X-RAY DIFFRACTION (1.35 Å)
主引用文献Class D beta-lactamases do exist in Gram-positive bacteria.
Nat.Chem.Biol., 12, 2016
6CDO
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BU of 6cdo by Molmil
Structure of vaccine-elicited HIV-1 neutralizing antibody vFP16.02 in complex with HIV-1 fusion peptide residue 512-519
分子名称: HIV-1 fusion peptide 512-519, SULFATE ION, vFP16.02 Fab heavy chain, ...
著者Xu, K, Liu, K, Kwong, P.D.
登録日2018-02-08
公開日2018-05-16
最終更新日2018-06-20
実験手法X-RAY DIFFRACTION (2.099 Å)
主引用文献Epitope-based vaccine design yields fusion peptide-directed antibodies that neutralize diverse strains of HIV-1.
Nat. Med., 24, 2018
6CDP
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BU of 6cdp by Molmil
Vaccine-elicited HIV-1 neutralizing antibody vFP20.01 in complex with HIV-1 fusion peptide residue 512-519
分子名称: HIV-1 fusion peptide 512-519, SULFATE ION, vFP20.01 Fab heavy chain, ...
著者Xu, K, Liu, K, Kwong, P.D.
登録日2018-02-08
公開日2018-05-16
最終更新日2024-11-06
実験手法X-RAY DIFFRACTION (2.456 Å)
主引用文献Epitope-based vaccine design yields fusion peptide-directed antibodies that neutralize diverse strains of HIV-1.
Nat. Med., 24, 2018
8SSC
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Full-Length Methionine synthase from Thermus thermophilus HB8
分子名称: Methionine synthase, POTASSIUM ION, SULFATE ION
著者Yamada, K, Mendoza, J, Koutmos, M.
登録日2023-05-08
公開日2023-10-18
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (2.75 Å)
主引用文献Structure of full-length cobalamin-dependent methionine synthase and cofactor loading captured in crystallo.
Nat Commun, 14, 2023
8SSE
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Methionine synthase, C-terminal fragment, Cobalamin and Reactivation Domains from Thermus thermophilus HB8
分子名称: COBALAMIN, Methionine synthase
著者Yamada, K, Mendoza, J, Koutmos, M.
登録日2023-05-08
公開日2023-10-11
最終更新日2024-05-01
実験手法X-RAY DIFFRACTION (3.15 Å)
主引用文献Structure of full-length cobalamin-dependent methionine synthase and cofactor loading captured in crystallo.
Nat Commun, 14, 2023
8SSD
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Methionine synthase, C-terminal fragment, Cobalamin and Reactivation Domains from Thermus thermophilus HB8
分子名称: Methionine synthase
著者Yamada, K, Mendoza, J, Koutmos, M.
登録日2023-05-08
公開日2023-10-11
最終更新日2024-05-01
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Structure of full-length cobalamin-dependent methionine synthase and cofactor loading captured in crystallo.
Nat Commun, 14, 2023
5W0Q
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BU of 5w0q by Molmil
CREBBP Bromodomain in complex with Cpd17 (N,2,7-trimethyl-2,3-dihydro-4H-benzo[b][1,4]oxazine-4-carboxamide)
分子名称: (2R)-N,2,7-trimethyl-2,3-dihydro-4H-1,4-benzoxazine-4-carboxamide, CREB-binding protein, SULFATE ION
著者Murray, J.M.
登録日2017-05-31
公開日2018-03-07
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献GNE-781, A Highly Advanced Potent and Selective Bromodomain Inhibitor of Cyclic Adenosine Monophosphate Response Element Binding Protein, Binding Protein (CBP).
J. Med. Chem., 60, 2017
5KU3
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BU of 5ku3 by Molmil
BRD4 bromodomain in complex with Cpd59 ((S)-1-(3-((2-fluoro-4-(1-methyl-1H-pyrazol-4-yl)phenyl)amino)-1-(tetrahydrofuran-3-yl)-6,7-dihydro-1H-pyrazolo[4,3-c]pyridin-5(4H)-yl)ethanone)
分子名称: 1,2-ETHANEDIOL, 1-[3-[[2-fluoranyl-4-(1-methylpyrazol-4-yl)phenyl]amino]-1-[(3~{S})-oxolan-3-yl]-6,7-dihydro-4~{H}-pyrazolo[4,3-c]pyridin-5-yl]ethanone, Bromodomain-containing protein 4, ...
著者Murray, J.M, Huang, W.
登録日2016-07-12
公開日2016-11-02
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (1.14 Å)
主引用文献Discovery of a Potent and Selective in Vivo Probe (GNE-272) for the Bromodomains of CBP/EP300.
J. Med. Chem., 59, 2016
7U6L
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BU of 7u6l by Molmil
Pseudooxynicotine amine oxidase
分子名称: Amine oxidase, FLAVIN-ADENINE DINUCLEOTIDE
著者Choudhary, V, Stull, F, Wu, K.
登録日2022-03-04
公開日2022-07-20
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献The enzyme pseudooxynicotine amine oxidase from Pseudomonas putida S16 is not an oxidase, but a dehydrogenase.
J.Biol.Chem., 298, 2022
5W0F
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BU of 5w0f by Molmil
CREBBP Bromodomain in complex with Cpd3 ((S)-1-(3-(6-(1-methyl-1H-pyrazol-4-yl)-3,4-dihydroquinolin-1(2H)-yl)-1-(tetrahydrofuran-3-yl)-1,4,6,7-tetrahydro-5H-pyrazolo[4,3-c]pyridin-5-yl)ethan-1-one)
分子名称: 1-{3-[6-(1-methyl-1H-pyrazol-4-yl)-3,4-dihydroquinolin-1(2H)-yl]-1-[(3S)-oxolan-3-yl]-1,4,6,7-tetrahydro-5H-pyrazolo[4,3-c]pyridin-5-yl}ethan-1-one, CREB-binding protein
著者Murray, J.M.
登録日2017-05-30
公開日2018-03-07
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献GNE-781, A Highly Advanced Potent and Selective Bromodomain Inhibitor of Cyclic Adenosine Monophosphate Response Element Binding Protein, Binding Protein (CBP).
J. Med. Chem., 60, 2017
5W0L
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CREBBP Bromodomain in complex with Cpd10 (1-(3-(7-(difluoromethyl)-6-(1-methyl-1H-pyrazol-4-yl)-3,4-dihydroquinolin-1(2H)-yl)-1-(tetrahydro-2H-pyran-4-yl)-1,4,6,7-tetrahydro-5H-pyrazolo[4,3-c]pyridin-5-yl)ethan-1-one)
分子名称: 1-{3-[7-(difluoromethyl)-6-(1-methyl-1H-pyrazol-4-yl)-3,4-dihydroquinolin-1(2H)-yl]-1-(oxan-4-yl)-1,4,6,7-tetrahydro-5H-pyrazolo[4,3-c]pyridin-5-yl}ethan-1-one, CREB-binding protein
著者Murray, J.M.
登録日2017-05-31
公開日2018-03-07
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (1.549 Å)
主引用文献GNE-781, A Highly Advanced Potent and Selective Bromodomain Inhibitor of Cyclic Adenosine Monophosphate Response Element Binding Protein, Binding Protein (CBP).
J. Med. Chem., 60, 2017
6SDZ
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BU of 6sdz by Molmil
transthyritin derived amyloid fibril from patient with hereditary V30M ATTR amyloidosis
分子名称: Transthyretin
著者Fritz, G, Agarwal, S, Faendrich, M.
登録日2019-07-29
公開日2019-11-13
最終更新日2024-05-22
実験手法ELECTRON MICROSCOPY (2.97 Å)
主引用文献Cryo-EM structure of a transthyretin-derived amyloid fibril from a patient with hereditary ATTR amyloidosis.
Nat Commun, 10, 2019
7NIO
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BU of 7nio by Molmil
Crystal structure of the SARS-CoV-2 helicase APO form
分子名称: SARS-CoV-2 helicase NSP13, ZINC ION
著者Newman, J.A, Yosaatmadja, Y, Douangamath, A, Bountra, C, Gileadi, O.
登録日2021-02-12
公開日2021-03-17
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Structure, mechanism and crystallographic fragment screening of the SARS-CoV-2 NSP13 helicase.
Nat Commun, 12, 2021
5DPX
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BU of 5dpx by Molmil
1,2,4-Triazole-3-thione compounds as inhibitors of L1, di-zinc metallo-beta-lactamases.
分子名称: 5-(2-methylphenyl)-3H-1,2,4-triazole-3-thione, Metallo-beta-lactamase L1 type 3, SULFATE ION, ...
著者Nauton, L, Garau, G, Khan, R, Dideberg, O.
登録日2015-09-14
公開日2017-01-11
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献1,2,4-Triazole-3-thione Compounds as Inhibitors of Dizinc Metallo-beta-lactamases.
ChemMedChem, 12, 2017
7NN0
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Crystal structure of the SARS-CoV-2 helicase in complex with AMP-PNP
分子名称: MAGNESIUM ION, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER, SARS-CoV-2 helicase NSP13, ...
著者Newman, J.A, Yosaatmadja, Y, Douangamath, A, Bountra, C, Gileadi, O.
登録日2021-02-23
公開日2021-03-24
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (3.04 Å)
主引用文献Structure, mechanism and crystallographic fragment screening of the SARS-CoV-2 NSP13 helicase.
Nat Commun, 12, 2021
7NNG
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BU of 7nng by Molmil
Crystal structure of the SARS-CoV-2 helicase in complex with Z2327226104
分子名称: 1-(2-methylphenyl)-1,2,3-triazole-4-carboxylic acid, PHOSPHATE ION, SARS-CoV-2 helicase NSP13, ...
著者Newman, J.A, Yosaatmadja, Y, Douangamath, A, Bountra, C, Gileadi, O.
登録日2021-02-24
公開日2021-04-07
最終更新日2024-06-19
実験手法X-RAY DIFFRACTION (2.38 Å)
主引用文献Structure, mechanism and crystallographic fragment screening of the SARS-CoV-2 NSP13 helicase.
Nat Commun, 12, 2021
5KTX
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CREBBP bromodomain in complex with Cpd59 ((S)-1-(3-((2-fluoro-4-(1-methyl-1H-pyrazol-4-yl)phenyl)amino)-1-(tetrahydrofuran-3-yl)-6,7-dihydro-1H-pyrazolo[4,3-c]pyridin-5(4H)-yl)ethanone)
分子名称: 1,2-ETHANEDIOL, 1-[3-[[2-fluoranyl-4-(1-methylpyrazol-4-yl)phenyl]amino]-1-[(3~{S})-oxolan-3-yl]-6,7-dihydro-4~{H}-pyrazolo[4,3-c]pyridin-5-yl]ethanone, CREB-binding protein, ...
著者Murray, J.M, Noland, C.
登録日2016-07-12
公開日2016-11-02
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (1.27 Å)
主引用文献Discovery of a Potent and Selective in Vivo Probe (GNE-272) for the Bromodomains of CBP/EP300.
J. Med. Chem., 59, 2016
8OOI
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BU of 8ooi by Molmil
Full composite cryo-EM map of p97/VCP in ADP.Pi state
分子名称: ADENOSINE-5'-DIPHOSPHATE, ADENOSINE-5'-TRIPHOSPHATE, MAGNESIUM ION, ...
著者Cheng, T.C, Sakata, E, Schuetz, A.K.
登録日2023-04-05
公開日2024-01-31
最終更新日2024-10-16
実験手法ELECTRON MICROSCOPY (2.61 Å)
主引用文献Characterizing ATP processing by the AAA+ protein p97 at the atomic level.
Nat.Chem., 16, 2024
5KTW
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CREBBP bromodomain in complex with Cpd 44 (3-((5-acetyl-1-(cyclopropylmethyl)-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridin-3-yl)amino)-N-isopropylbenzamide)
分子名称: 1,2-ETHANEDIOL, 3-[[1-(cyclopropylmethyl)-5-ethanoyl-6,7-dihydro-4~{H}-pyrazolo[4,3-c]pyridin-3-yl]amino]-~{N}-propan-2-yl-benzamide, CREB-binding protein
著者Murray, J.M, Boenig, G.
登録日2016-07-12
公開日2016-11-02
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (1.087 Å)
主引用文献Discovery of a Potent and Selective in Vivo Probe (GNE-272) for the Bromodomains of CBP/EP300.
J. Med. Chem., 59, 2016
6SKE
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Teneurin 2 in complex with Latrophilin 2 Lec domain
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, Adhesion G protein-coupled receptor L2, ...
著者Shahin, M, Jackson, V.A, Carrasquero, M, Lowe, E, Seiradake, E.
登録日2019-08-15
公開日2020-02-12
最終更新日2020-07-29
実験手法X-RAY DIFFRACTION (3.62 Å)
主引用文献Structural Basis of Teneurin-Latrophilin Interaction in Repulsive Guidance of Migrating Neurons.
Cell, 180, 2020
5W0I
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CREBBP Bromodomain in complex with Cpd8 (1-(3-(7-(difluoromethyl)-6-(1-methyl-1H-pyrazol-4-yl)-3,4-dihydroquinolin-1(2H)-yl)-1-(tetrahydrofuran-3-yl)-1,4,6,7-tetrahydro-5H-pyrazolo[4,3-c]pyridin-5-yl)ethan-1-one)
分子名称: 1-{3-[7-(difluoromethyl)-6-(1-methyl-1H-pyrazol-4-yl)-3,4-dihydroquinolin-1(2H)-yl]-1-[(3S)-oxolan-3-yl]-1,4,6,7-tetrahydro-5H-pyrazolo[4,3-c]pyridin-5-yl}ethan-1-one, CREB-binding protein, DIMETHYL SULFOXIDE, ...
著者Murray, J.M.
登録日2017-05-30
公開日2018-03-07
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (1.43 Å)
主引用文献GNE-781, A Highly Advanced Potent and Selective Bromodomain Inhibitor of Cyclic Adenosine Monophosphate Response Element Binding Protein, Binding Protein (CBP).
J. Med. Chem., 60, 2017

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