8BEB
 
 | | Ternary complex between VCB, BRD4-BD1 and PROTAC 49 | | 分子名称: | (2~{S},4~{R})-~{N}-[(1~{S})-3-[4-[2-[(9~{S})-7-(4-chlorophenyl)-4,5,13-trimethyl-3-thia-1,8,11,12-tetrazatricyclo[8.3.0.0^{2,6}]trideca-2(6),4,7,10,12-pentaen-9-yl]ethanoylamino]butylamino]-1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]-3-oxidanylidene-propyl]-1-[(2~{R})-3-methyl-2-(3-methyl-1,2-oxazol-5-yl)butanoyl]-4-oxidanyl-pyrrolidine-2-carboxamide, Bromodomain-containing protein 4, Elongin-B, ... | | 著者 | Sorrell, F.J, Mueller, J.E, Lehmann, M, Wegener, A. | | 登録日 | 2022-10-21 | | 公開日 | 2023-02-15 | | 最終更新日 | 2024-02-07 | | 実験手法 | X-RAY DIFFRACTION (3.18 Å) | | 主引用文献 | Systematic Potency and Property Assessment of VHL Ligands and Implications on PROTAC Design.
Chemmedchem, 18, 2023
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8BDS
 | | Ternary complex between VCB, BRD4-BD1 and PROTAC 48 | | 分子名称: | (2S,4R)-N-[(1S)-1-(4-chlorophenyl)-3-[2-[2-[2-[2-[2-[(9S)-7-(4-chlorophenyl)-4,5,13-trimethyl-3-thia-1,8$l^{5},11,12-tetrazatricyclo[8.3.0.0^{2,6}]trideca-2(6),4,7,10,12-pentaen-9-yl]ethanoylamino]ethoxy]ethoxy]ethoxy]ethylamino]-3-oxidanylidene-propyl]-1-[(2R)-3-methyl-2-(3-methyl-1,2-oxazol-5-yl)butanoyl]-4-oxidanyl-pyrrolidine-2-carboxamide, 1,2-ETHANEDIOL, Bromodomain-containing protein 4, ... | | 著者 | Sorrell, F.J, Mueller, J.E, Lehmann, M, Wegener, A. | | 登録日 | 2022-10-20 | | 公開日 | 2023-02-15 | | 最終更新日 | 2024-02-07 | | 実験手法 | X-RAY DIFFRACTION (1.72 Å) | | 主引用文献 | Systematic Potency and Property Assessment of VHL Ligands and Implications on PROTAC Design.
Chemmedchem, 18, 2023
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6CMO
 | | Rhodopsin-Gi complex | | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Fab Heavy chain, Fab light chain, ... | | 著者 | Kang, Y, Kuybeda, O, de Waal, P.W, Mukherjee, S, Van Eps, N, Dutka, P, Zhou, X.E, Bartesaghi, A, Erramilli, S, Morizumi, T, Gu, X, Yin, Y, Liu, P, Jiang, Y, Meng, X, Zhao, G, Melcher, K, Earnst, O.P, Kossiakoff, A.A, Subramaniam, S, Xu, H.E. | | 登録日 | 2018-03-05 | | 公開日 | 2018-06-20 | | 最終更新日 | 2020-07-29 | | 実験手法 | ELECTRON MICROSCOPY (4.5 Å) | | 主引用文献 | Cryo-EM structure of human rhodopsin bound to an inhibitory G protein.
Nature, 558, 2018
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1HNZ
 | | STRUCTURE OF THE THERMUS THERMOPHILUS 30S RIBOSOMAL SUBUNIT IN COMPLEX WITH HYGROMYCIN B | | 分子名称: | 16S RIBOSOMAL RNA, 30S RIBOSOMAL PROTEIN S10, 30S RIBOSOMAL PROTEIN S11, ... | | 著者 | Brodersen, D.E, Clemons Jr, W.M, Carter, A.P, Morgan-Warren, R, Wimberly, B.T, Ramakrishnan, V. | | 登録日 | 2000-12-08 | | 公開日 | 2001-02-21 | | 最終更新日 | 2023-08-09 | | 実験手法 | X-RAY DIFFRACTION (3.3 Å) | | 主引用文献 | The structural basis for the action of the antibiotics tetracycline, pactamycin, and hygromycin B on the 30S ribosomal subunit.
Cell(Cambridge,Mass.), 103, 2000
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4EJZ
 | | Structure of MBOgg1 in complex with low affinity DNA ligand | | 分子名称: | 3-Methyladenine DNA glycosylase, DNA (5'-D(*AP*GP*CP*GP*TP*CP*CP*AP*(3DR)P*GP*TP*CP*TP*AP*CP*C)-3'), DNA (5'-D(*T*GP*GP*TP*AP*GP*AP*CP*TP*TP*GP*GP*AP*CP*GP*C)-3') | | 著者 | Jiang, T, Yu, H.J, Bi, L.J, Zhang, X.E, Yang, M.Z. | | 登録日 | 2012-04-08 | | 公開日 | 2013-03-20 | | 最終更新日 | 2023-11-08 | | 実験手法 | X-RAY DIFFRACTION (3.05 Å) | | 主引用文献 | Crystal structures of MBOgg1 in complex with two abasic DNA ligands
J.Struct.Biol., 181, 2013
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5D4I
 | | Intact nitrite complex of a copper nitrite reductase determined by serial femtosecond crystallography | | 分子名称: | COPPER (II) ION, Copper-containing nitrite reductase, NITRITE ION | | 著者 | Fukuda, Y, Tse, K.M, Nakane, T, Nakatsu, T, Suzuki, M, Sugahara, M, Inoue, S, Masuda, T, Yumoto, F, Matsugaki, N, Nango, E, Tono, K, Joti, Y, Kameshima, T, Song, C, Hatsui, T, Yabashi, M, Nureki, O, Murphy, M.E.P, Inoue, T, Iwata, S, Mizohata, E. | | 登録日 | 2015-08-07 | | 公開日 | 2016-03-09 | | 最終更新日 | 2023-09-06 | | 実験手法 | X-RAY DIFFRACTION (1.6 Å) | | 主引用文献 | Redox-coupled proton transfer mechanism in nitrite reductase revealed by femtosecond crystallography
Proc.Natl.Acad.Sci.USA, 113, 2016
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5FNR
 | | Structure of the Keap1 Kelch domain in complex with a small molecule inhibitor. | | 分子名称: | (3S)-3-(4-chlorophenyl)-3-(1-methylbenzotriazol-5-yl)propanoic acid, KELCH-LIKE ECH-ASSOCIATED PROTEIN 1 | | 著者 | Davies, T.G, Wixted, W.E, Coyle, J.E, Griffiths-Jones, C, Hearn, K, McMenamin, R, Norton, D, Rich, S.J, Richardson, C, Saxty, G, Willems, H.M.G, Woolford, A.J, Cottom, J.E, Kou, J, Yonchuk, J.G, Feldser, H.G, Sanchez, Y, Foley, J.P, Bolognese, B.J, Logan, G, Podolin, P.L, Yan, H, Callahan, J.F, Heightman, T.D, Kerns, J.K. | | 登録日 | 2015-11-16 | | 公開日 | 2016-04-13 | | 最終更新日 | 2024-01-10 | | 実験手法 | X-RAY DIFFRACTION (1.89 Å) | | 主引用文献 | Mono-Acidic Inhibitors of the Kelch-Like Ech-Associated Protein 1 : Nuclear Factor Erythroid 2-Related Factor 2 (Keap1:Nrf2) Protein-Protein Interaction with High Cell Potency Identified by Fragment-Based Discovery.
J.Med.Chem., 59, 2016
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6NBF
 | | Cryo-EM structure of parathyroid hormone receptor type 1 in complex with a long-acting parathyroid hormone analog and G protein | | 分子名称: | CHOLESTEROL, Gs protein alpha subunit, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, ... | | 著者 | Zhao, L.-H, Ma, S, Sutkeviciute, I, Shen, D.-D, Zhou, X.E, de Waal, P.P, Li, C.-Y, Kang, Y, Clark, L.J, Jean-Alphonse, F.G, White, A.D, Xiao, K, Yang, D, Jiang, Y, Watanabe, T, Gardella, T.J, Melcher, K, Wang, M.-W, Vilardaga, J.-P, Xu, H.E, Zhang, Y. | | 登録日 | 2018-12-07 | | 公開日 | 2019-04-17 | | 最終更新日 | 2019-12-18 | | 実験手法 | ELECTRON MICROSCOPY (3 Å) | | 主引用文献 | Structure and dynamics of the active human parathyroid hormone receptor-1.
Science, 364, 2019
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1HPO
 | | HIV-1 PROTEASE TRIPLE MUTANT/U103265 COMPLEX | | 分子名称: | 4-CYANO-N-(3-CYCLOPROPYL(5,6,7,8,9,10-HEXAHYDRO-4-HYDROXY-2-OXO-CYCLOOCTA[B]PYRAN-3-YL)METHYL)PHENYL BENZENSULFONAMIDE, HIV-1 PROTEASE | | 著者 | Watenpaugh, K.D, Janakiraman, M.N. | | 登録日 | 1996-12-10 | | 公開日 | 1997-04-21 | | 最終更新日 | 2024-02-07 | | 実験手法 | X-RAY DIFFRACTION (2.5 Å) | | 主引用文献 | Structure-based design of nonpeptidic HIV protease inhibitors: the sulfonamide-substituted cyclooctylpyramones.
J.Med.Chem., 40, 1997
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5DJQ
 | | The structure of CBB3 cytochrome oxidase. | | 分子名称: | CALCIUM ION, COPPER (II) ION, Cbb3-type cytochrome c oxidase subunit CcoN1, ... | | 著者 | Buschmann, S, Warkentin, E, Xie, H, Kohlstaedt, M, Langer, J.D, Ermler, U, Michel, H. | | 登録日 | 2015-09-02 | | 公開日 | 2016-01-13 | | 最終更新日 | 2016-07-27 | | 実験手法 | X-RAY DIFFRACTION (3.2 Å) | | 主引用文献 | The structure of cbb3 cytochrome oxidase provides insights into proton pumping.
Science, 329, 2010
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1HWV
 | | MOLECULAR TOPOLOGY OF POLYCYCLIC AROMATIC CARCINOGENS DETERMINES DNA ADDUCT CONFORMATION: A LINK TO TUMORIGENIC ACTIVITY | | 分子名称: | (1S)-1,2,3,4-TETRAHYDRO-BENZO[C]PHENANTHRENE-2,3,4-TRIOL, 5'-D(*CP*CP*AP*TP*CP*GP*CP*TP*AP*CP*C)-3', 5'-D(*GP*GP*TP*AP*GP*CP*GP*AP*TP*GP*G)-3' | | 著者 | Patel, D.J, Lin, C.H, Geacintov, N.E, Broyde, S, Huang, X, Kolbanovskii, A, Hingerty, B.E, Amin, S. | | 登録日 | 2001-01-10 | | 公開日 | 2001-03-21 | | 最終更新日 | 2024-05-22 | | 実験手法 | SOLUTION NMR | | 主引用文献 | Molecular topology of polycyclic aromatic carcinogens determines DNA adduct conformation: a link to tumorigenic activity.
J.Mol.Biol., 306, 2001
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1HX4
 | | MOLECULAR TOPOLOGY OF POLYCYCLIC AROMATIC CARCINOGENS DETERMINES DNA ADDUCT CONFORMATION: A LINK TO TUMORIGENIC ACTIVITY | | 分子名称: | (1R)-1,2,3,4-TETRAHYDRO-BENZO[C]PHENANTHRENE-2,3,4-TRIOL, 5'-D(*CP*CP*AP*TP*CP*GP*CP*TP*AP*CP*C)-3', 5'-D(*GP*GP*TP*AP*GP*CP*GP*AP*TP*GP*G)-3' | | 著者 | Patel, D.J, Lin, C.H, Geacintov, N.E, Broyde, S, Huang, X, Kolbanovskii, A, Hingerty, B.E, Amin, S. | | 登録日 | 2001-01-11 | | 公開日 | 2001-03-21 | | 最終更新日 | 2024-05-22 | | 実験手法 | SOLUTION NMR | | 主引用文献 | Molecular topology of polycyclic aromatic carcinogens determines DNA adduct conformation: a link to tumorigenic activity.
J.Mol.Biol., 306, 2001
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4ZKE
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5HRX
 | | Crystal structure of the fifth bromodomain of human PB1 in complex with 1-butylisochromeno[3,4-c]pyrazol-5(2H)-one) compound | | 分子名称: | 1,2-ETHANEDIOL, 1-butylisochromeno[3,4-c]pyrazol-5(3H)-one, Protein polybromo-1 | | 著者 | Tallant, C, Myrianthopoulos, V, Gaboriaud-Kolar, N, Newman, J.A, Picaud, S, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Mikros, E, Knapp, S. | | 登録日 | 2016-01-24 | | 公開日 | 2016-10-12 | | 最終更新日 | 2024-01-10 | | 実験手法 | X-RAY DIFFRACTION (1.73 Å) | | 主引用文献 | Discovery and Optimization of a Selective Ligand for the Switch/Sucrose Nonfermenting-Related Bromodomains of Polybromo Protein-1 by the Use of Virtual Screening and Hydration Analysis.
J.Med.Chem., 59, 2016
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1T9O
 | | Crystal Structure of V44G Cp Rubredoxin | | 分子名称: | FE (III) ION, Rubredoxin | | 著者 | Park, I.Y, Eidsness, M.K, Lin, I.J, Gebel, E.B, Youn, B, Harley, J.L, Machonkin, T.E, Frederick, R.O, Markley, J.L, Smith, E.T, Ichiye, T, Kang, C. | | 登録日 | 2004-05-18 | | 公開日 | 2004-10-05 | | 最終更新日 | 2024-02-14 | | 実験手法 | X-RAY DIFFRACTION (2 Å) | | 主引用文献 | Crystallographic studies of V44 mutants of Clostridium pasteurianum rubredoxin: Effects of side-chain size on reduction potential.
Proteins, 57, 2004
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3POR
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1HZ6
 | | CRYSTAL STRUCTURES OF THE B1 DOMAIN OF PROTEIN L FROM PEPTOSTREPTOCOCCUS MAGNUS WITH A TYROSINE TO TRYPTOPHAN SUBSTITUTION | | 分子名称: | PROTEIN L | | 著者 | O'Neill, J.W, Kim, D.E, Baker, D, Zhang, K.Y.J. | | 登録日 | 2001-01-23 | | 公開日 | 2001-04-04 | | 最終更新日 | 2024-04-03 | | 実験手法 | X-RAY DIFFRACTION (1.7 Å) | | 主引用文献 | Structures of the B1 domain of protein L from Peptostreptococcus magnus with a tyrosine to tryptophan substitution.
Acta Crystallogr.,Sect.D, 57, 2001
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4DR5
 | | Crystal structure of the Thermus thermophilus (HB8) 30S ribosomal subunit with codon, crystallographically disordered cognate transfer RNA anticodon stem-loop and streptomycin bound | | 分子名称: | 16S rRNA, 30S ribosomal protein S10, 30S ribosomal protein S11, ... | | 著者 | Demirci, H, Murphy IV, F, Murphy, E, Gregory, S.T, Dahlberg, A.E, Jogl, G. | | 登録日 | 2012-02-16 | | 公開日 | 2012-11-14 | | 最終更新日 | 2013-01-30 | | 実験手法 | X-RAY DIFFRACTION (3.45 Å) | | 主引用文献 | A structural basis for streptomycin-induced misreading of the genetic code.
Nat Commun, 4, 2013
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4ZL4
 | | Plasmepsin V from Plasmodium vivax bound to a transition state mimetic (WEHI-842) | | 分子名称: | (2R)-1-[(2R)-2-(2-methoxyethoxy)propoxy]propan-2-amine, 1,2-ETHANEDIOL, Aspartic protease PM5, ... | | 著者 | Czabotar, P.E, Hodder, A.N, Smith, B.J, Sleebs, B.E, Gazdic, M, Boddey, J.A, Cowman, A.F. | | 登録日 | 2015-05-01 | | 公開日 | 2015-07-15 | | 最終更新日 | 2023-09-27 | | 実験手法 | X-RAY DIFFRACTION (2.37 Å) | | 主引用文献 | Structural basis for plasmepsin V inhibition that blocks export of malaria proteins to human erythrocytes.
Nat.Struct.Mol.Biol., 22, 2015
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7K84
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3NMN
 | | Crystal structure of pyrabactin-bound abscisic acid receptor PYL1 in complex with type 2C protein phosphatase ABI1 | | 分子名称: | 4-bromo-N-(pyridin-2-ylmethyl)naphthalene-1-sulfonamide, Abscisic acid receptor PYL1, MAGNESIUM ION, ... | | 著者 | Zhou, X.E, Melcher, K, Ng, L.-M, Soon, F.-F, Xu, Y, Suino-Powell, K.M, Kovach, A, Li, J, Yong, E.-L, Xu, H.E. | | 登録日 | 2010-06-22 | | 公開日 | 2010-08-25 | | 最終更新日 | 2023-09-06 | | 実験手法 | X-RAY DIFFRACTION (2.15 Å) | | 主引用文献 | Identification and mechanism of ABA receptor antagonism.
Nat.Struct.Mol.Biol., 17, 2010
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4ZRA
 | | CRYSTAL STRUCTURE OF MYCOBACTERIUM TUBERCULOSIS LPRG BINDING TO TRIACYLGLYCERIDE | | 分子名称: | Lipoprotein LprG, Tripalmitoylglycerol | | 著者 | Martinot, A.J, Farrow, M, Bai, L, Layre, E, Cheng, T.Y, Tsai, J.H.C, Iqbal, J, Annand, J, Sullivan, Z, Hussain, M, Sacchettini, J, Moody, D.B, Seeliger, J, Rubin, E.J, TB Structural Genomics Consortium (TBSGC) | | 登録日 | 2015-05-12 | | 公開日 | 2016-02-10 | | 最終更新日 | 2024-03-06 | | 実験手法 | X-RAY DIFFRACTION (1.83 Å) | | 主引用文献 | Mycobacterial Metabolic Syndrome: LprG and Rv1410 Regulate Triacylglyceride Levels, Growth Rate and Virulence in Mycobacterium tuberculosis.
Plos Pathog., 12, 2016
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3KEK
 | | Crystal Structure of Human MMP-13 complexed with a (pyridin-4-yl)-2H-tetrazole compound | | 分子名称: | CALCIUM ION, Collagenase 3, ZINC ION, ... | | 著者 | Shieh, H.-S, Collins, B, Schnute, M.E. | | 登録日 | 2009-10-26 | | 公開日 | 2010-11-10 | | 最終更新日 | 2024-02-21 | | 実験手法 | X-RAY DIFFRACTION (1.97 Å) | | 主引用文献 | Discovery of (pyridin-4-yl)-2H-tetrazole as a novel scaffold to identify highly selective matrix metalloproteinase-13 inhibitors for the treatment of osteoarthritis.
Bioorg.Med.Chem.Lett., 20, 2009
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6GOD
 | | KRAS full length wild-type GPPNHP | | 分子名称: | GLYCEROL, GTPase KRas, MAGNESIUM ION, ... | | 著者 | Cruz-Migoni, A, Quevedo, C.E, Carr, S.B, Ehebauer, M.T, Phillips, S.V.E, Rabbitts, T.H. | | 登録日 | 2018-06-01 | | 公開日 | 2019-02-06 | | 最終更新日 | 2024-01-17 | | 実験手法 | X-RAY DIFFRACTION (1.71 Å) | | 主引用文献 | Structure-based development of new RAS-effector inhibitors from a combination of active and inactive RAS-binding compounds.
Proc. Natl. Acad. Sci. U.S.A., 116, 2019
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3KEJ
 | | Crystal Structure of Human MMP-13 complexed with a (pyridin-4-yl)-2H-tetrazole compound | | 分子名称: | 4-[(5-{2-[(3-fluorobenzyl)carbamoyl]pyridin-4-yl}-2H-tetrazol-2-yl)methyl]benzoic acid, CALCIUM ION, Collagenase 3, ... | | 著者 | Shieh, H.-S, Collins, B, Schnute, M.E. | | 登録日 | 2009-10-26 | | 公開日 | 2010-11-10 | | 最終更新日 | 2024-02-21 | | 実験手法 | X-RAY DIFFRACTION (2.3 Å) | | 主引用文献 | Discovery of (pyridin-4-yl)-2H-tetrazole as a novel scaffold to identify highly selective matrix metalloproteinase-13 inhibitors for the treatment of osteoarthritis.
Bioorg.Med.Chem.Lett., 20, 2010
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