8GZB
 
 | | SARS-CoV-2 3CLpro | | 分子名称: | 1,2-ETHANEDIOL, 2-(4-chlorophenyl)-1,3,4-oxadiazole, 3C-like proteinase nsp5 | | 著者 | Wang, F, Cen, Y.X, Tian, P. | | 登録日 | 2022-09-26 | | 公開日 | 2023-09-27 | | 最終更新日 | 2024-10-09 | | 実験手法 | X-RAY DIFFRACTION (2.7 Å) | | 主引用文献 | Nature-inspired catalytic asymmetric rearrangement of cyclopropylcarbinyl cation.
Sci Adv, 9, 2023
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6DB8
 | | Structural basis for promiscuous binding and activation of fluorogenic dyes by DIR2s RNA aptamer | | 分子名称: | 2-[(Z)-(3-methyl-1,3-benzoxazol-2(3H)-ylidene)methyl]-3-(3-sulfopropyl)-1,3-benzothiazol-3-ium, Fab-Heavy chain, Fab-Light chain, ... | | 著者 | Shao, Y, Shelke, S.A, Laski, A, Piccirilli, J.A. | | 登録日 | 2018-05-02 | | 公開日 | 2018-11-14 | | 最終更新日 | 2024-11-06 | | 実験手法 | X-RAY DIFFRACTION (1.86541343 Å) | | 主引用文献 | Structural basis for activation of fluorogenic dyes by an RNA aptamer lacking a G-quadruplex motif.
Nat Commun, 9, 2018
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5EZP
 | | Human transthyretin (TTR) complexed with 4-hydroxy-chalcone | | 分子名称: | 1,2-ETHANEDIOL, 4-hydroxy-chalcone, Transthyretin | | 著者 | Polsinelli, I, Nencetti, S, Shepard, W.E, Orlandini, E, Stura, E.A. | | 登録日 | 2015-11-26 | | 公開日 | 2016-01-27 | | 最終更新日 | 2024-01-10 | | 実験手法 | X-RAY DIFFRACTION (2.5 Å) | | 主引用文献 | A new crystal form of human transthyretin obtained with a curcumin derived ligand.
J.Struct.Biol., 194, 2016
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6SA2
 | | Crystal Structure of BRD4(1) bound to inhibitor BUX3 (10) | | 分子名称: | (R,R)-2,3-BUTANEDIOL, Bromodomain-containing protein 4, ~{N}-(2-methoxy-5-morpholin-4-ylsulfonyl-phenyl)-3-methyl-4-oxidanylidene-5,6,7,8-tetrahydro-2~{H}-cyclohepta[c]pyrrole-1-carboxamide | | 著者 | Huegle, M. | | 登録日 | 2019-07-16 | | 公開日 | 2020-12-09 | | 最終更新日 | 2024-01-24 | | 実験手法 | X-RAY DIFFRACTION (1.5 Å) | | 主引用文献 | 4-Acyl Pyrroles as Dual BET-BRD7/9 Bromodomain Inhibitors Address BETi Insensitive Human Cancer Cell Lines.
J.Med.Chem., 63, 2020
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4Q28
 | | Crystal Structure of the Plectin 1 and 2 Repeats of the Human Periplakin. Northeast Structural Genomics Consortium (NESG) Target HR9083A | | 分子名称: | Periplakin | | 著者 | Vorobiev, S, Lew, S, Seetharaman, J, Janjua, H, Xiao, R, O'Connell, P.T, Maglaqui, M, Wang, D, Everett, J.K, Acton, T.B, Montelione, G.T, Tong, L, Hunt, J.F, Northeast Structural Genomics Consortium (NESG) | | 登録日 | 2014-04-07 | | 公開日 | 2014-06-18 | | 最終更新日 | 2024-11-20 | | 実験手法 | X-RAY DIFFRACTION (2.64 Å) | | 主引用文献 | Crystal Structure of the Plectin 1 and 2 Repeats of Human Periplakin.
To be Published
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6SB1
 | | Crystal structure of murine perforin-2 P2 domain crystal form 1 | | 分子名称: | CHLORIDE ION, GLYCEROL, Macrophage-expressed gene 1 protein | | 著者 | Ni, T, Ginger, L, Gilbert, R.J.C. | | 登録日 | 2019-07-18 | | 公開日 | 2020-02-05 | | 最終更新日 | 2024-11-06 | | 実験手法 | X-RAY DIFFRACTION (2.05 Å) | | 主引用文献 | Structure and mechanism of bactericidal mammalian perforin-2, an ancient agent of innate immunity.
Sci Adv, 6, 2020
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8HLB
 | | Cryo-EM structure of biparatopic antibody Bp109-92 in complex with TNFR2 | | 分子名称: | TR109 heavy chain, TR109 light chain, TR92 heavy chain, ... | | 著者 | Akiba, H, Fujita, J, Ise, T, Nishiyama, K, Miyata, T, Kato, T, Namba, K, Ohno, H, Kamada, H, Nagata, S, Tsumoto, K. | | 登録日 | 2022-11-29 | | 公開日 | 2023-10-04 | | 最終更新日 | 2024-10-16 | | 実験手法 | ELECTRON MICROSCOPY (3.63 Å) | | 主引用文献 | Development of a 1:1-binding biparatopic anti-TNFR2 antagonist by reducing signaling activity through epitope selection.
Commun Biol, 6, 2023
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8QWL
 | | Structure of p53 cancer mutant Y163C | | 分子名称: | 1,2-ETHANEDIOL, Cellular tumor antigen p53, MALONATE ION, ... | | 著者 | Balourdas, D.I, Markl, A.M, Kraemer, A, Knapp, S, Joerger, A.C, Structural Genomics Consortium (SGC) | | 登録日 | 2023-10-19 | | 公開日 | 2024-06-19 | | 実験手法 | X-RAY DIFFRACTION (1.65 Å) | | 主引用文献 | Structural basis of p53 inactivation by cavity-creating cancer mutations and its implications for the development of mutant p53 reactivators.
Cell Death Dis, 15, 2024
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7W54
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7AEZ
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3TOC
 | | Crystal structure of Streptococcus pyogenes Csn2 | | 分子名称: | 1,2-ETHANEDIOL, CALCIUM ION, Putative uncharacterized protein | | 著者 | Bae, E, Jung, D.K, Koo, Y. | | 登録日 | 2011-09-05 | | 公開日 | 2012-05-30 | | 最終更新日 | 2024-10-30 | | 実験手法 | X-RAY DIFFRACTION (2.201 Å) | | 主引用文献 | Crystal Structure of Streptococcus pyogenes Csn2 Reveals Calcium-Dependent Conformational Changes in Its Tertiary and Quaternary Structure
Plos One, 7, 2012
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6ZNC
 | | Structural basis of reactivation of oncogenic p53 mutants by a small molecule: methylene quinuclidinone (MQ). Human wild-type p53DBD bound to DNA and MQ: wt-DNA-MQ (I) | | 分子名称: | (2~{R})-2-methyl-1-azabicyclo[2.2.2]octan-3-one, (2~{S})-2-methyl-1-azabicyclo[2.2.2]octan-3-one, Cellular tumor antigen p53, ... | | 著者 | Rozenberg, H, Degtjarik, O, Diskin-Posner, Y, Shakked, Z. | | 登録日 | 2020-07-06 | | 公開日 | 2021-12-08 | | 最終更新日 | 2024-11-13 | | 実験手法 | X-RAY DIFFRACTION (1.64 Å) | | 主引用文献 | Structural basis of reactivation of oncogenic p53 mutants by a small molecule: methylene quinuclidinone (MQ).
Nat Commun, 12, 2021
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4EYK
 | | Crystal structure of solute binding protein of ABC transporter from Rhodopseudomonas palustris BisB5 in complex with 3,4-dihydroxy benzoic acid | | 分子名称: | 1,2-ETHANEDIOL, 3,4-DIHYDROXYBENZOIC ACID, Twin-arginine translocation pathway signal | | 著者 | Chang, C, Mack, J, Zerbs, S, Collart, F, Joachimiak, A, Midwest Center for Structural Genomics (MCSG) | | 登録日 | 2012-05-01 | | 公開日 | 2012-05-30 | | 最終更新日 | 2024-10-16 | | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | | 主引用文献 | Characterization of transport proteins for aromatic compounds derived from lignin: benzoate derivative binding proteins.
J.Mol.Biol., 423, 2012
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9FDF
 | | Human phosphoglycerate kinase in with mixture of products and substrates produced by cross-soaking a TSA crystal | | 分子名称: | 1,3-BISPHOSPHOGLYCERIC ACID, ADENOSINE-5'-TRIPHOSPHATE, CHLORIDE ION, ... | | 著者 | Cliff, M.J, Waltho, J.P, Bowler, M.W, Baxter, N.J, Bisson, C, Blackburn, G.M. | | 登録日 | 2024-05-16 | | 公開日 | 2025-10-29 | | 実験手法 | X-RAY DIFFRACTION (1.44 Å) | | 主引用文献 | The role of magnesium in catalysis by phosphoglycerate kinase
To be published
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7QU2
 | | Junin virus GP1 glycoprotein in complex with Fab fragment of antibody JUN1 | | 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, Fab JUN1 heavy chain, ... | | 著者 | Ng, W.M, Sahin, M, Krumm, S.A, Seow, J, Zeltina, A, Harlos, K, Paesen, G, Pinschewer, D.D, Doores, K.J, Bowden, T.A. | | 登録日 | 2022-01-17 | | 公開日 | 2022-02-09 | | 最終更新日 | 2024-11-20 | | 実験手法 | X-RAY DIFFRACTION (2.5 Å) | | 主引用文献 | Contrasting Modes of New World Arenavirus Neutralization by Immunization-Elicited Monoclonal Antibodies.
Mbio, 13, 2022
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8CCA
 | | The Fk1 domain of FKBP51 in complex with SAFit1 | | 分子名称: | 2-[3-[(1~{R})-1-[(2~{S})-1-[(2~{S})-2-cyclohexyl-2-(3,4,5-trimethoxyphenyl)ethanoyl]piperidin-2-yl]carbonyloxy-3-(3,4-dimethoxyphenyl)propyl]phenoxy]ethanoic acid, Peptidyl-prolyl cis-trans isomerase FKBP5 | | 著者 | Meyners, C, Knaup, F.H, Walz, C.M, Hausch, F. | | 登録日 | 2023-01-27 | | 公開日 | 2023-04-26 | | 最終更新日 | 2024-06-19 | | 実験手法 | X-RAY DIFFRACTION (1.33 Å) | | 主引用文献 | Structure-Based Discovery of a New Selectivity-Enabling Motif for the FK506-Binding Protein 51.
J.Med.Chem., 66, 2023
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8RFW
 | | High pH (8.0) as-isolated MSOX movie series dataset 2 of the copper nitrite reductase from Bradyrhizobium sp. ORS375 (two-domain) [0.82 MGy] | | 分子名称: | 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, COPPER (II) ION, Copper-containing nitrite reductase, ... | | 著者 | Rose, S.L, Ferroni, F.M, Antonyuk, S.V, Eady, R.R, Hasnain, S.S. | | 登録日 | 2023-12-13 | | 公開日 | 2024-07-24 | | 最終更新日 | 2024-08-07 | | 実験手法 | X-RAY DIFFRACTION (1.33 Å) | | 主引用文献 | Spectroscopically Validated pH-dependent MSOX Movies Provide Detailed Mechanism of Copper Nitrite Reductases.
J.Mol.Biol., 436, 2024
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9C0P
 | | M. tuberculosis PKS13 acyltransferase (AT) domain in complex with SuFEx inhibitor CEC215 | | 分子名称: | N-{4-[(4-{[fluorodi(hydroxy)-lambda~4~-sulfanyl]oxy}phenoxy)methyl]phenyl}acetamide, PENTAETHYLENE GLYCOL, Polyketide synthase Pks13, ... | | 著者 | Krieger, I.V, Tang, S, Sacchettini, J.C, TB Structural Genomics Consortium (TBSGC) | | 登録日 | 2024-05-27 | | 公開日 | 2025-05-07 | | 最終更新日 | 2025-10-01 | | 実験手法 | X-RAY DIFFRACTION (1.87 Å) | | 主引用文献 | SuFEx-based antitubercular compound irreversibly inhibits Pks13.
Nature, 645, 2025
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8C1N
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6S8Z
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4XYA
 | | Crystal Structure of the first bromodomain of human BRD4 in complex with a 2-amine-9H-purine ligand | | 分子名称: | 1,2-ETHANEDIOL, 6-(5-bromo-1-benzofuran-7-yl)-9H-purin-2-amine, Bromodomain-containing protein 4 | | 著者 | Picaud, S, von Delft, F, Edwards, A.M, Arrowsmith, C.H, Bountra, C, Filippakopoulos, P, Structural Genomics Consortium (SGC) | | 登録日 | 2015-02-02 | | 公開日 | 2015-03-11 | | 最終更新日 | 2024-05-08 | | 実験手法 | X-RAY DIFFRACTION (2.05 Å) | | 主引用文献 | 9H-Purine Scaffold Reveals Induced-Fit Pocket Plasticity of the BRD9 Bromodomain.
J.Med.Chem., 58, 2015
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7A0W
 | | Structure of dimeric sodium proton antiporter NhaA, at pH 8.5, crystallized with chimeric Fab antibodies | | 分子名称: | 1,2-DIACYL-GLYCEROL-3-SN-PHOSPHATE, CARDIOLIPIN, CHLORIDE ION, ... | | 著者 | Fippel, A, Gross, N.M, Mir, S.H, Wirth, C, Hunte, C. | | 登録日 | 2020-08-11 | | 公開日 | 2022-02-23 | | 最終更新日 | 2024-10-16 | | 実験手法 | X-RAY DIFFRACTION (2.04 Å) | | 主引用文献 | Molecular determinants for substrate uptake in electrogenic sodium/proton antiporters
To Be Published
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8RGD
 | | High pH (8.0) nitrite-bound MSOX movie series dataset 15 of the copper nitrite reductase from Bradyrhizobium sp. ORS375 (two-domain) [10.2 MGy] | | 分子名称: | CARBON DIOXIDE, COPPER (II) ION, Copper-containing nitrite reductase, ... | | 著者 | Rose, S.L, Ferroni, F.M, Antonyuk, S.V, Eady, R.R, Hasnain, S.S. | | 登録日 | 2023-12-13 | | 公開日 | 2024-07-24 | | 最終更新日 | 2024-08-07 | | 実験手法 | X-RAY DIFFRACTION (1.71 Å) | | 主引用文献 | Spectroscopically Validated pH-dependent MSOX Movies Provide Detailed Mechanism of Copper Nitrite Reductases.
J.Mol.Biol., 436, 2024
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3TVU
 | | Crystal Structure of the humanized carboxyltransferase domain of yeast Acetyl-coA caroxylase in complex with compound 3 | | 分子名称: | 4-({4-[(2-methylquinolin-6-yl)methyl]piperidin-1-yl}carbonyl)-2-phenylquinoline, Acetyl-CoA carboxylase | | 著者 | Rajamohan, F, Marr, E, Reyes, A, Landro, J.A, Anderson, M.D, Corbett, J.W, Dirico, K.J, Harwood, J.H, Tu, M, Vajdos, F.F. | | 登録日 | 2011-09-20 | | 公開日 | 2011-10-19 | | 最終更新日 | 2023-09-13 | | 実験手法 | X-RAY DIFFRACTION (2.4 Å) | | 主引用文献 | Structure-guided Inhibitor Design for Human Acetyl-coenzyme A Carboxylase by Interspecies Active Site Conversion.
J.Biol.Chem., 286, 2011
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8RFY
 | | High pH (8.0) as-isolated MSOX movie series dataset 30 of the copper nitrite reductase from Bradyrhizobium sp. ORS375 (two-domain) [12.3 MGy] | | 分子名称: | 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, COPPER (II) ION, Copper-containing nitrite reductase, ... | | 著者 | Rose, S.L, Ferroni, F.M, Antonyuk, S.V, Eady, R.R, Hasnain, S.S. | | 登録日 | 2023-12-13 | | 公開日 | 2024-07-24 | | 最終更新日 | 2024-08-07 | | 実験手法 | X-RAY DIFFRACTION (1.79 Å) | | 主引用文献 | Spectroscopically Validated pH-dependent MSOX Movies Provide Detailed Mechanism of Copper Nitrite Reductases.
J.Mol.Biol., 436, 2024
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