4HPN
 
 | | Crystal structure of a proposed galactarolactone cycloisomerase from Agrobacterium Tumefaciens, target EFI-500704, with bound Ca, ordered loops | | 分子名称: | CALCIUM ION, IMIDAZOLE, NICKEL (II) ION, ... | | 著者 | Vetting, M.W, Bouvier, J.T, Morisco, L.L, Wasserman, S.R, Sojitra, S, Imker, H.J, Gerlt, J.A, Almo, S.C, Enzyme Function Initiative (EFI) | | 登録日 | 2012-10-24 | | 公開日 | 2012-11-07 | | 最終更新日 | 2023-09-20 | | 実験手法 | X-RAY DIFFRACTION (1.6 Å) | | 主引用文献 | Purification, crystallization and structural elucidation of D-galactaro-1,4-lactone cycloisomerase from Agrobacterium tumefaciens involved in pectin degradation.
Acta Crystallogr F Struct Biol Commun, 72, 2016
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4I09
 | | structure of the mutant Catabolite gene activator protein V132L | | 分子名称: | ADENOSINE-3',5'-CYCLIC-MONOPHOSPHATE, Catabolite gene activator | | 著者 | Pohl, E, Townsend, P.D, Rodgers, T, Burnell, D, McLeish, T.C.B, Wilson, M.R, Cann, M.J. | | 登録日 | 2012-11-16 | | 公開日 | 2013-10-30 | | 最終更新日 | 2024-02-28 | | 実験手法 | X-RAY DIFFRACTION (2.05 Å) | | 主引用文献 | Modulation of global low-frequency motions underlies allosteric regulation: demonstration in CRP/FNR family transcription factors.
Plos Biol., 11, 2013
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7DL7
 | | The wild-type structure of 3,5-DAHDHcca | | 分子名称: | 1,2-ETHANEDIOL, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 3,5-diaminohexanoate dehydrogenase, ... | | 著者 | Liu, N, Wu, L, Zhu, D.M, Zhou, J.H. | | 登録日 | 2020-11-26 | | 公開日 | 2021-09-29 | | 最終更新日 | 2024-05-29 | | 実験手法 | X-RAY DIFFRACTION (2.30065823 Å) | | 主引用文献 | Crystal Structures and Catalytic Mechanism of l-erythro-3,5-Diaminohexanoate Dehydrogenase and Rational Engineering for Asymmetric Synthesis of beta-Amino Acids.
Angew.Chem.Int.Ed.Engl., 60, 2021
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4KYZ
 | | Three-dimensional structure of triclinic form of de novo design insertion domain, Northeast Structural Genomics Consortium (NESG) Target OR327 | | 分子名称: | Designed protein OR327 | | 著者 | Kuzin, A, Su, M, Seetharaman, J, Maglaqui, M, Xiao, R, Lee, D, Gleixner, J, Baker, D, Everett, J.K, Acton, T.B, Kornhaber, G, Montelione, G.T, Hunt, J.F, Tong, L, Northeast Structural Genomics Consortium (NESG) | | 登録日 | 2013-05-29 | | 公開日 | 2013-07-24 | | 最終更新日 | 2024-10-30 | | 実験手法 | X-RAY DIFFRACTION (2.492 Å) | | 主引用文献 | Precise assembly of complex beta sheet topologies from de novo designed building blocks.
Elife, 4, 2015
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1YRS
 | | Crystal structure of KSP in complex with inhibitor 1 | | 分子名称: | 3-[(5S)-1-ACETYL-3-(2-CHLOROPHENYL)-4,5-DIHYDRO-1H-PYRAZOL-5-YL]PHENOL, ADENOSINE-5'-DIPHOSPHATE, Kinesin-like protein KIF11, ... | | 著者 | Cox, C.D, Breslin, M.J, Mariano, B.J, Coleman, P.J, Buser, C.A, Walsh, E.S, Hamilton, K, Kohl, N.E, Torrent, M, Yan, Y, Kuo, L.C, Hartman, G.D. | | 登録日 | 2005-02-04 | | 公開日 | 2005-04-12 | | 最終更新日 | 2023-08-23 | | 実験手法 | X-RAY DIFFRACTION (2.5 Å) | | 主引用文献 | Kinesin spindle protein (KSP) inhibitors. Part 1: The discovery of 3,5-diaryl-4,5-dihydropyrazoles as potent and selective inhibitors of the mitotic kinesin KSP
BIOORG.MED.CHEM.LETT., 15, 2005
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5BRL
 | | Crystal Structure of L124D STARD4 | | 分子名称: | StAR-related lipid transfer protein 4 | | 著者 | Iaea, D.B, Dikiy, I, Kiburu, I, Eliezer, D.E, Maxfield, F.R. | | 登録日 | 2015-05-31 | | 公開日 | 2015-07-22 | | 最終更新日 | 2023-09-27 | | 実験手法 | X-RAY DIFFRACTION (2.003 Å) | | 主引用文献 | STARD4 Membrane Interactions and Sterol Binding.
Biochemistry, 54, 2015
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6IAR
 | | Tricyclic indazoles a novel class of selective estrogen receptor degrader antagonists | | 分子名称: | 3-[4-[(6~{R})-7-(2-methylpropyl)-3,6,8,9-tetrahydropyrazolo[4,3-f]isoquinolin-6-yl]phenyl]propanoic acid, Estrogen receptor | | 著者 | Scott, J.S, Bailey, A, Buttar, D, Carbajo, R.J, Curwen, J, Davies, R.D.M, Degorce, S.L, Donald, C, Gangl, E, Greenwood, R, Groombridge, S.D, Johnson, T, Lamont, S, Lawson, M, Lister, A, Morrow, C, Moss, T, Pink, J.H, Polanski, R. | | 登録日 | 2018-11-27 | | 公開日 | 2019-01-23 | | 最終更新日 | 2024-05-15 | | 実験手法 | X-RAY DIFFRACTION (1.84 Å) | | 主引用文献 | Tricyclic Indazoles-A Novel Class of Selective Estrogen Receptor Degrader Antagonists.
J.Med.Chem., 62, 2019
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2OPE
 | | Crystal structure of the Neisseria meningitidis minor Type IV pilin, PilX, in space group P43 | | 分子名称: | PilX | | 著者 | Dyer, D.H, Helaine, S, Pelicic, V, Forest, K.T. | | 登録日 | 2007-01-29 | | 公開日 | 2007-10-23 | | 最終更新日 | 2024-10-09 | | 実験手法 | X-RAY DIFFRACTION (2.4 Å) | | 主引用文献 | 3D structure/function analysis of PilX reveals how minor pilins can modulate the virulence properties of type IV pili.
Proc.Natl.Acad.Sci.Usa, 104, 2007
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7LOM
 | | Ornithine Aminotransferase (OAT) soaked with its inactivator - (1S,3S)-3-amino-4-(difluoromethylene)cyclohexene-1-carboxylic acid | | 分子名称: | (3~{S},4~{S})-4-methyl-3-[[2-methyl-3-oxidanyl-5-(phosphonooxymethyl)pyridin-4-yl]methylamino]cyclohexene-1-carboxylic acid, (4~{R})-4-(fluoranylmethyl)-3-[[2-methyl-3-oxidanyl-5-(phosphonooxymethyl)pyridin-4-yl]methylamino]cyclohexene-1-carboxylic acid, Ornithine aminotransferase, ... | | 著者 | Butrin, A, Zhu, W, Liu, D, Silverman, R. | | 登録日 | 2021-02-10 | | 公開日 | 2021-08-25 | | 最終更新日 | 2024-12-25 | | 実験手法 | X-RAY DIFFRACTION (2.1 Å) | | 主引用文献 | Remarkable and Unexpected Mechanism for ( S )-3-Amino-4-(difluoromethylenyl)cyclohex-1-ene-1-carboxylic Acid as a Selective Inactivator of Human Ornithine Aminotransferase.
J.Am.Chem.Soc., 143, 2021
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1GN4
 | | H145E mutant of Mycobacterium tuberculosis iron-superoxide dismutase. | | 分子名称: | MANGANESE (II) ION, SUPEROXIDE DISMUTASE | | 著者 | Bunting, K.A, Cooper, J.B, Badasso, M.O, Tickle, I.J, Newton, M, Wood, S.P, Zhang, Y, Young, D.B. | | 登録日 | 2001-10-02 | | 公開日 | 2001-10-05 | | 最終更新日 | 2023-12-13 | | 実験手法 | X-RAY DIFFRACTION (2.5 Å) | | 主引用文献 | Engineering a Change in the Metal-Ion Specificity of the Iron-Depedent Superoxide Dismutase from Mycobacterium Tuberculosis. X-Ray Structure Analysis of Site-Directed Mutants
Eur.J.Biochem., 251, 1998
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2IDV
 | | Crystal structure of wheat C113S mutant EIF4E bound TO 7-methyl-GDP | | 分子名称: | 7N-METHYL-8-HYDROGUANOSINE-5'-DIPHOSPHATE, Eukaryotic translation initiation factor 4E-1 | | 著者 | Monzingo, A.F, Dutt-Chaudhuri, A, Sadow, J, Dhaliwal, S, Hoffman, D.W, Robertus, J.D, Browning, K.S. | | 登録日 | 2006-09-15 | | 公開日 | 2007-06-12 | | 最終更新日 | 2024-03-06 | | 実験手法 | X-RAY DIFFRACTION (2.3 Å) | | 主引用文献 | The structure of eukaryotic translation initiation factor-4E from wheat reveals a novel disulfide bond.
Plant Physiol., 143, 2007
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2OQF
 | | Structure of a synthetic, non-natural analogue of RNase A: [N71K(Ade), D83A]RNase A | | 分子名称: | Ribonuclease pancreatic | | 著者 | Boerema, D.J, Tereshko, V.A, Zhang, J.L, He, C, Kent, S.B.H. | | 登録日 | 2007-01-31 | | 公開日 | 2008-02-12 | | 最終更新日 | 2024-11-06 | | 実験手法 | X-RAY DIFFRACTION (2.3 Å) | | 主引用文献 | Design, Synthesis, and Characterization of Non-natural RNase A Analogues with Enhanced Second-step Catalytic Activity
To be Published
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3CY1
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4CM4
 | | Crystal structure of pteridine reductase 1 (PTR1) from Trypanosoma brucei in ternary complex with cofactor and inhibitor | | 分子名称: | 5-(4-fluorophenyl)-7H-pyrrolo[2,3-d]pyrimidine-2,4-diamine, ACETATE ION, GLYCEROL, ... | | 著者 | Barrack, K.L, Hunter, W.N. | | 登録日 | 2014-01-15 | | 公開日 | 2015-01-21 | | 最終更新日 | 2025-04-09 | | 実験手法 | X-RAY DIFFRACTION (1.81 Å) | | 主引用文献 | Structure-Based Design and Synthesis of Antiparasitic Pyrrolopyrimidines Targeting Pteridine Reductase 1.
J.Med.Chem., 57, 2014
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7LNM
 | | Ornithine Aminotransferase (OAT) cocrystallized with its inactivator - (1S,3S)-3-amino-4-(difluoromethylene)cyclopentene-1-carboxylic acid | | 分子名称: | (1~{R},3~{S},4~{R})-3-methyl-4-[[2-methyl-3-oxidanyl-5-(phosphonooxymethyl)pyridin-4-yl]methylamino]cyclopentane-1-carboxylic acid, Ornithine aminotransferase, mitochondrial | | 著者 | Butrin, A, Catlin, D, Zhu, W, Liu, D, Silverman, R. | | 登録日 | 2021-02-07 | | 公開日 | 2021-08-25 | | 最終更新日 | 2024-12-25 | | 実験手法 | X-RAY DIFFRACTION (2 Å) | | 主引用文献 | Remarkable and Unexpected Mechanism for ( S )-3-Amino-4-(difluoromethylenyl)cyclohex-1-ene-1-carboxylic Acid as a Selective Inactivator of Human Ornithine Aminotransferase.
J.Am.Chem.Soc., 143, 2021
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2ILU
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4DDF
 | | Computationally Designed Self-assembling Octahedral Cage protein, O333, Crystallized in space group P4 | | 分子名称: | CHLORIDE ION, Propanediol utilization polyhedral body protein PduT, SULFATE ION | | 著者 | Sawaya, M.R, King, N.P, Sheffler, W, Baker, D, Yeates, T.O. | | 登録日 | 2012-01-18 | | 公開日 | 2012-06-06 | | 最終更新日 | 2024-02-28 | | 実験手法 | X-RAY DIFFRACTION (3.15 Å) | | 主引用文献 | Computational design of self-assembling protein nanomaterials with atomic level accuracy.
Science, 336, 2012
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7LON
 | | Ornithine Aminotransferase (OAT) cocrystallized with its inactivator - (1S,3S)-3-amino-4-(difluoromethylene)cyclohexene-1-carboxylic acid | | 分子名称: | (1R,3S,4R)-3-[({3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methyl)amino]-4-methylcyclohexane-1-carboxylic acid, Ornithine aminotransferase, mitochondrial, ... | | 著者 | Butrin, A, Zhu, W, Liu, D, Silverman, R. | | 登録日 | 2021-02-10 | | 公開日 | 2021-08-25 | | 最終更新日 | 2024-11-06 | | 実験手法 | X-RAY DIFFRACTION (1.95 Å) | | 主引用文献 | Remarkable and Unexpected Mechanism for ( S )-3-Amino-4-(difluoromethylenyl)cyclohex-1-ene-1-carboxylic Acid as a Selective Inactivator of Human Ornithine Aminotransferase.
J.Am.Chem.Soc., 143, 2021
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5TVV
 | | Computationally Designed Fentanyl Binder - Fen49* Apo | | 分子名称: | Endo-1,4-beta-xylanase A, POTASSIUM ION | | 著者 | Bick, M.J, Greisen, P.J, Morey, K.J, Antunes, A.S, La, D, Sankaran, B, Reymond, L, Johnsson, K, Medford, J.I, Baker, D. | | 登録日 | 2016-11-10 | | 公開日 | 2017-10-04 | | 最終更新日 | 2023-10-04 | | 実験手法 | X-RAY DIFFRACTION (1.79 Å) | | 主引用文献 | Computational design of environmental sensors for the potent opioid fentanyl.
Elife, 6, 2017
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4HDV
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4OYL
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1CFR
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4DOY
 | | Crystal structure of Dibenzothiophene desulfurization enzyme C | | 分子名称: | Dibenzothiophene desulfurization enzyme C, GLYCEROL | | 著者 | Liu, S, Zhang, C, Zhu, D, Gu, L. | | 登録日 | 2012-02-12 | | 公開日 | 2013-02-13 | | 最終更新日 | 2024-03-20 | | 実験手法 | X-RAY DIFFRACTION (1.789 Å) | | 主引用文献 | Crystal structure of DszC from Rhodococcus sp. XP at 1.79 angstrom
Proteins, 82, 2014
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6F0I
 | | GLIC mutant E26A | | 分子名称: | ACETATE ION, CHLORIDE ION, DIUNDECYL PHOSPHATIDYL CHOLINE, ... | | 著者 | Hu, H.D, Delarue, M. | | 登録日 | 2017-11-20 | | 公開日 | 2018-01-10 | | 最終更新日 | 2024-05-08 | | 実験手法 | X-RAY DIFFRACTION (3 Å) | | 主引用文献 | Full mutational mapping of titratable residues helps to identify proton-sensors involved in the control of channel gating in the Gloeobacter violaceus pentameric ligand-gated ion channel.
PLoS Biol., 15, 2017
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3CL9
 | | Structure of bifunctional TcDHFR-TS in complex with MTX | | 分子名称: | 1,2-ETHANEDIOL, 2'-DEOXYURIDINE 5'-MONOPHOSPHATE, Bifunctional dihydrofolate reductase-thymidylate synthase (DHFR-TS), ... | | 著者 | Schormann, N, Senkovich, O, Chattopadhyay, D. | | 登録日 | 2008-03-18 | | 公開日 | 2009-01-06 | | 最終更新日 | 2023-08-30 | | 実験手法 | X-RAY DIFFRACTION (3.3 Å) | | 主引用文献 | Structure-based approach to pharmacophore identification, in silico screening, and three-dimensional quantitative structure-activity relationship studies for inhibitors of Trypanosoma cruzi dihydrofolate reductase function.
Proteins, 73, 2008
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