8BJN
 
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8BM5
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6QGH
 | | Structure of human Bcl-2 in complex with ABT-263 | | 分子名称: | 4-(4-{[2-(4-chlorophenyl)-5,5-dimethylcyclohex-1-en-1-yl]methyl}piperazin-1-yl)-N-[(4-{[(2R)-4-(morpholin-4-yl)-1-(phenylsulfanyl)butan-2-yl]amino}-3-[(trifluoromethyl)sulfonyl]phenyl)sulfonyl]benzamide, Apoptosis regulator Bcl-2,Bcl-2-like protein 1,Apoptosis regulator Bcl-2,Bcl-2-like protein 1 | | 著者 | Dokurno, P, Murray, J, Davidson, J, Chen, I, Davis, B, Graham, C.J, Harris, R, Jordan, A.M, Matassova, N, Pedder, C, Ray, S, Roughley, S, Smith, J, Walmsley, C, Wang, Y, Whitehead, N, Williamson, D.S, Casara, P, Le Diguarher, T, Hickman, J, Stark, J, Kotschy, A, Geneste, O, Hubbard, R.E. | | 登録日 | 2019-01-11 | | 公開日 | 2019-06-12 | | 最終更新日 | 2024-01-24 | | 実験手法 | X-RAY DIFFRACTION (2 Å) | | 主引用文献 | Establishing Drug Discovery and Identification of Hit Series for the Anti-apoptotic Proteins, Bcl-2 and Mcl-1.
Acs Omega, 4, 2019
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1QIV
 | | CALMODULIN COMPLEXED WITH N-(3,3,-DIPHENYLPROPYL)-N'-[1-R-(3,4-BIS-BUTOXYPHENYL)-ETHYL]-PROPYLENEDIAMINE (DPD), 1:2 COMPLEX | | 分子名称: | CALCIUM ION, CALMODULIN, N-(3,3,-DIPHENYLPROPYL)-N'-[1-R-(2 3,4-BIS-BUTOXYPHENYL)-ETHYL]-PROPYLENEDIAMINE | | 著者 | Harmat, V, Bocskei, Z.S, Vertessy, B.G, Naray-Szabo, G, Ovadi, J. | | 登録日 | 1999-06-17 | | 公開日 | 2000-03-28 | | 最終更新日 | 2023-12-13 | | 実験手法 | X-RAY DIFFRACTION (2.64 Å) | | 主引用文献 | A New Potent Calmodulin Antagonist with Arylalkylamine Structure: Crystallographic, Spectroscopic and Functional Studies
J.Mol.Biol., 297, 2000
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8S9G
 | | SARS-CoV-2 BN.1 spike RBD bound to the human ACE2 ectodomain and the S309 neutralizing antibody Fab fragment | | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Processed angiotensin-converting enzyme 2, S309 Fab Heavy chain, ... | | 著者 | Park, Y.J, Seattle Structural Genomics Center for Infectious Disease (SSGCID), Veesler, D. | | 登録日 | 2023-03-28 | | 公開日 | 2023-10-04 | | 実験手法 | ELECTRON MICROSCOPY (3 Å) | | 主引用文献 | Neutralization, effector function and immune imprinting of Omicron variants.
Nature, 621, 2023
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2YFT
 | | Crystal structure of inulosucrase from Lactobacillus johnsonii NCC533 in complex with 1-kestose | | 分子名称: | ACETATE ION, CALCIUM ION, LEVANSUCRASE, ... | | 著者 | Pijning, T, Anwar, M.A, Leemhuis, H, Kralj, S, Dijkhuizen, L, Dijkstra, B.W. | | 登録日 | 2011-04-07 | | 公開日 | 2011-08-03 | | 最終更新日 | 2023-12-20 | | 実験手法 | X-RAY DIFFRACTION (1.85 Å) | | 主引用文献 | Crystal Structure of Inulosucrase from Lactobacillus: Insights Into the Substrate Specificity and Product Specificity of Gh68 Fructansucrases.
J.Mol.Biol., 412, 2011
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6QGJ
 | | Structure of human Bcl-2 in complex with fragment/ABT-263 hybrid | | 分子名称: | 4-[4-[(1~{R})-1-(6-methoxy-1,3-benzodioxol-5-yl)-2-pyrrolidin-1-yl-ethyl]phenyl]-~{N}-[4-[[(2~{R})-4-morpholin-4-yl-1-phenylsulfanyl-butan-2-yl]amino]-3-(trifluoromethylsulfonyl)phenyl]sulfonyl-benzamide, Apoptosis regulator Bcl-2,Bcl-2-like protein 1,Apoptosis regulator Bcl-2,Bcl-2-like protein 1 | | 著者 | Dokurno, P, Murray, J, Davidson, J, Chen, I, Davis, B, Graham, C.J, Harris, R, Jordan, A.M, Matassova, N, Pedder, C, Ray, S, Roughley, S, Smith, J, Walmsley, C, Wang, Y, Whitehead, N, Williamson, D.S, Casara, P, Le Diguarher, T, Hickman, J, Stark, J, Kotschy, A, Geneste, O, Hubbard, R.E. | | 登録日 | 2019-01-11 | | 公開日 | 2019-06-12 | | 最終更新日 | 2024-01-24 | | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | | 主引用文献 | Establishing Drug Discovery and Identification of Hit Series for the Anti-apoptotic Proteins, Bcl-2 and Mcl-1.
Acs Omega, 4, 2019
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3LT1
 | | Enoyl-ACP Reductase from Plasmodium falciparum (PfENR) in complex with triclosan variant T2 | | 分子名称: | 5-(chloromethyl)-2-(2,4-dichlorophenoxy)phenol, Enoyl-ACP reductase, NICOTINAMIDE-ADENINE-DINUCLEOTIDE | | 著者 | Maity, K, Bhargav, S.P, Sankaran, B, Surolia, N, Surolia, A, Suguna, K. | | 登録日 | 2010-02-14 | | 公開日 | 2010-06-16 | | 最終更新日 | 2023-11-01 | | 実験手法 | X-RAY DIFFRACTION (2.2 Å) | | 主引用文献 | X-ray crystallographic analysis of the complexes of enoyl acyl carrier protein reductase of Plasmodium falciparum with triclosan variants to elucidate the importance of different functional groups in enzyme inhibition
Iubmb Life, 62, 2010
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1QLH
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2YN8
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1QLJ
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4KAA
 | | Crystal structure of the halotag2 protein at the resolution 2.3A, Northeast Structural Genomics Consortium (NESG) target OR150 | | 分子名称: | DI(HYDROXYETHYL)ETHER, Haloalkane dehalogenase, SODIUM ION | | 著者 | Kuzin, A, Lew, S, Neklesa, T.K, Noblin, D, Seetharaman, J, Maglaqui, M, Xiao, R, Kohan, E, Wang, H, Everett, J.K, Acton, T.B, Montelione, G.T, Hunt, J.F, Crews, C, Tong, L, Northeast Structural Genomics Consortium (NESG) | | 登録日 | 2013-04-22 | | 公開日 | 2013-06-05 | | 最終更新日 | 2023-12-06 | | 実験手法 | X-RAY DIFFRACTION (2.276 Å) | | 主引用文献 | Northeast Structural Genomics Consortium Target OR150
To be Published
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3LT0
 | | Enoyl-ACP Reductase from Plasmodium falciparum (PfENR) in complex with triclosan variant T1 | | 分子名称: | 4-(2,4-dichlorophenoxy)-3-hydroxybenzaldehyde, Enoyl-ACP reductase, NICOTINAMIDE-ADENINE-DINUCLEOTIDE | | 著者 | Maity, K, Bhargav, S.P, Sankaran, B, Surolia, N, Surolia, A, Suguna, K. | | 登録日 | 2010-02-14 | | 公開日 | 2010-06-16 | | 最終更新日 | 2023-11-01 | | 実験手法 | X-RAY DIFFRACTION (1.96 Å) | | 主引用文献 | X-ray crystallographic analysis of the complexes of enoyl acyl carrier protein reductase of Plasmodium falciparum with triclosan variants to elucidate the importance of different functional groups in enzyme inhibition
Iubmb Life, 62, 2010
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7P80
 | | Crystal structure of ClpP from Bacillus subtilis in complex with ADEP2 (compressed state) | | 分子名称: | ADEP2, ATP-dependent Clp protease proteolytic subunit | | 著者 | Lee, B.-G, Kim, L, Kim, M.K, Kwon, D.H, Song, H.K. | | 登録日 | 2021-07-21 | | 公開日 | 2022-06-29 | | 最終更新日 | 2024-01-31 | | 実験手法 | X-RAY DIFFRACTION (2.98 Å) | | 主引用文献 | Structural insights into ClpP protease side exit pore-opening by a pH drop coupled with substrate hydrolysis.
Embo J., 41, 2022
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1R2N
 | | NMR structure of the all-trans retinal in dark-adapted Bacteriorhodopsin | | 分子名称: | Bacteriorhodopsin, RETINAL | | 著者 | Patzelt, H, Simon, B, terLaak, A, Kessler, B, Kuhne, R, Schmieder, P, Oesterhaelt, D, Oschkinat, H. | | 登録日 | 2003-09-29 | | 公開日 | 2003-10-28 | | 最終更新日 | 2022-03-02 | | 実験手法 | SOLUTION NMR | | 主引用文献 | The structures of the active center in dark-adapted bacteriorhodopsin by solution-state NMR spectroscopy
Proc.Natl.Acad.Sci.USA, 99, 2002
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8BVH
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4KKL
 | | Structure of the E148A mutant of CLC-ec1 delta NC construct in 100mM fluoride | | 分子名称: | FLUORIDE ION, Fab, heavy chain, ... | | 著者 | Stockbridge, R.B, Lim, H.-H, Miller, C. | | 登録日 | 2013-05-06 | | 公開日 | 2013-08-21 | | 最終更新日 | 2013-12-04 | | 実験手法 | X-RAY DIFFRACTION (2.85 Å) | | 主引用文献 | Fluoride-dependent interruption of the transport cycle of a CLC Cl(-)/H(+) antiporter.
Nat.Chem.Biol., 9, 2013
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8BCT
 | | X-ray crystal structure of a de novo selected helix-loop-helix heterodimer in a syn arrangement, 26alpha/26beta | | 分子名称: | 26alpha, 26beta, ACETATE ION, ... | | 著者 | Naudin, E.A, Mylemans, B, Smith, A.J, Savery, N.J, Woolfson, D.N. | | 登録日 | 2022-10-17 | | 公開日 | 2023-06-07 | | 最終更新日 | 2024-05-01 | | 実験手法 | X-RAY DIFFRACTION (1.7 Å) | | 主引用文献 | Design and Selection of Heterodimerizing Helical Hairpins for Synthetic Biology.
Acs Synth Biol, 12, 2023
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8T20
 | | Cryo-EM structure of mink variant Y453F trimeric spike protein bound to two mink ACE2 receptors | | 分子名称: | Angiotensin-converting enzyme, Spike glycoprotein | | 著者 | Ahn, H.M, Calderon, B, Fan, X, Gao, Y, Horgan, N, Zhou, B, Liang, B. | | 登録日 | 2023-06-05 | | 公開日 | 2023-10-25 | | 実験手法 | ELECTRON MICROSCOPY (3.36 Å) | | 主引用文献 | Structural basis of the American mink ACE2 binding by Y453F trimeric spike glycoproteins of SARS-CoV-2.
J Med Virol, 95, 2023
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8SZZ
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4ZM1
 | | Shigella flexneri lipopolysaccharide O-antigen chain-length regulator WzzBSF - wild type | | 分子名称: | CITRIC ACID, Chain length determinant protein, MAGNESIUM ION | | 著者 | Ericsson, D.J, Chang, C.-W, Lonhienne, T, Casey, L, Benning, F, Kobe, B, Tran, E.N.H, Morona, R. | | 登録日 | 2015-05-02 | | 公開日 | 2016-03-23 | | 最終更新日 | 2023-09-27 | | 実験手法 | X-RAY DIFFRACTION (2.55 Å) | | 主引用文献 | Structural and Biochemical Analysis of a Single Amino-Acid Mutant of WzzBSF That Alters Lipopolysaccharide O-Antigen Chain Length in Shigella flexneri.
Plos One, 10, 2015
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8T23
 | | Cryo-EM structure of the RBD-ACE2 interface of the SARS-CoV-2 trimeric spike protein bound to ACE2 receptor after local refinement at upRBD conformation | | 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, Angiotensin-converting enzyme, ... | | 著者 | Ahn, H.M, Calderon, B, Fan, X, Gao, Y, Horgan, N, Zhou, B, Liang, B. | | 登録日 | 2023-06-05 | | 公開日 | 2023-10-25 | | 実験手法 | ELECTRON MICROSCOPY (3.87 Å) | | 主引用文献 | Structural basis of the American mink ACE2 binding by Y453F trimeric spike glycoproteins of SARS-CoV-2.
J Med Virol, 95, 2023
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6QYL
 | | Structure of MBP-Mcl-1 in complex with compound 8a | | 分子名称: | (2~{R})-2-[[6-ethyl-5-(1~{H}-indol-4-yl)thieno[2,3-d]pyrimidin-4-yl]amino]-3-phenyl-propanoic acid, Maltose/maltodextrin-binding periplasmic protein,Induced myeloid leukemia cell differentiation protein Mcl-1, SODIUM ION, ... | | 著者 | Dokurno, P, Szlavik, Z, Ondi, L, Csekei, M, Paczal, A, Szabo, Z.B, Radics, G, Murray, J, Davidson, J, Chen, I, Davis, B, Hubbard, R.E, Pedder, C, Surgenor, A.E, Smith, J, Robertson, A, LeToumelin-Braizat, G, Cauquil, N, Zarka, M, Demarles, D, Perron-Sierra, F, Geneste, O, Kotschy, A. | | 登録日 | 2019-03-09 | | 公開日 | 2019-08-07 | | 最終更新日 | 2024-01-24 | | 実験手法 | X-RAY DIFFRACTION (2.2 Å) | | 主引用文献 | Structure-Guided Discovery of a Selective Mcl-1 Inhibitor with Cellular Activity.
J.Med.Chem., 62, 2019
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5L1N
 | | Pyrococcus horikoshii CoA Disulfide Reductase Quadruple Mutant | | 分子名称: | COENZYME A, Coenzyme A disulfide reductase, FLAVIN-ADENINE DINUCLEOTIDE | | 著者 | Sea, K, Chen, B, Crane III, E.J, Sazinsky, M.H. | | 登録日 | 2016-07-29 | | 公開日 | 2017-08-09 | | 最終更新日 | 2023-10-04 | | 実験手法 | X-RAY DIFFRACTION (3.6 Å) | | 主引用文献 | A broader active site inPyrococcus horikoshiiCoA disulfide reductase accommodates larger substrates and reveals evidence of subunit asymmetry.
FEBS Open Bio, 8, 2018
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6QZV
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