4UFG
 
 | | Thrombin in complex with (2R)-2-(benzylsulfonylamino)-N-((1S)-2-((4- carbamimidoylphenyl)methylamino)-1-methyl-2-oxo-ethyl)-N-methyl-3- phenyl-propanamide ethane | | 分子名称: | (2S)-N-[(4-carbamimidoylphenyl)methyl]-2-[methyl-[(2R)-3-phenyl-2-[(phenylmethyl)sulfonylamino]propanoyl]amino]butanamide, 2-acetamido-2-deoxy-beta-D-glucopyranose, HIRUDIN VARIANT-2, ... | | 著者 | Ruehmann, E, Heine, A, Klebe, G. | | 登録日 | 2015-03-17 | | 公開日 | 2016-01-27 | | 最終更新日 | 2023-12-20 | | 実験手法 | X-RAY DIFFRACTION (1.65 Å) | | 主引用文献 | Boosting Affinity by Correct Ligand Preorganization for the S2 Pocket of Thrombin: A Study by Isothermal Titration Calorimetry, Molecular Dynamics, and High-Resolution Crystal Structures.
Chemmedchem, 11, 2016
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2DEC
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5ZXE
 | | Structure of a consensus sequence derived from the FGF family | | 分子名称: | CHLORIDE ION, Consensus sequence based basic form of fibroblast growth factor, GLYCEROL, ... | | 著者 | Tripathi, S.K, Mandalaparthy, V, Ramaswamy, S, Gosavi, S. | | 登録日 | 2018-05-19 | | 公開日 | 2019-07-24 | | 最終更新日 | 2023-11-22 | | 実験手法 | X-RAY DIFFRACTION (1.3 Å) | | 主引用文献 | Structure of a consensus sequence derived from the FGF family
To be published
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4UD8
 | | AtBBE15 | | 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, 3,6,9,12,15,18,21,24-OCTAOXAHEXACOSAN-1-OL, ... | | 著者 | Daniel, B, Steiner, B, Pavkov-Keller, T, Dordic, A, Gutmann, A, Sensen, C.W, Nidetzky, B, van der Graaff, E, Wallner, S, Gruber, K, Macheroux, P. | | 登録日 | 2014-12-09 | | 公開日 | 2015-06-10 | | 最終更新日 | 2023-12-20 | | 実験手法 | X-RAY DIFFRACTION (2.088 Å) | | 主引用文献 | Oxidation of Monolignols by Members of the Berberine Bridge Enzyme Family Suggests a Role in Cell Wall Metabolism.
J.Biol.Chem., 290, 2015
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6ROF
 | | Human Carbonic anhydrase II mutant T199V bound by 2-(cyclooctylamino)-3,5,6-trifluoro-4-[(2-hydroxyethyl)thio]benzenesulfonamide | | 分子名称: | 2-(cyclooctylamino)-3,5,6-trifluoro-4-[(2-hydroxyethyl)sulfanyl]benzenesulfonamide, BICINE, Carbonic anhydrase 2, ... | | 著者 | Smirnov, A, Paketuryte, V, Manakova, E, Grazulis, S. | | 登録日 | 2019-05-12 | | 公開日 | 2020-06-03 | | 最終更新日 | 2024-01-24 | | 実験手法 | X-RAY DIFFRACTION (1.5 Å) | | 主引用文献 | Human Carbonic anhydrase II mutant T199V bound by 2-(cyclooctylamino)-3,5,6-trifluoro-4-[(2-hydroxyethyl)thio]benzenesulfonamide
To Be Published
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6ABZ
 | | Crystal Structure of HEWL in deionized water | | 分子名称: | CHLORIDE ION, Lysozyme C, S-1,2-PROPANEDIOL, ... | | 著者 | Seyedarabi, A, Seraj, Z. | | 登録日 | 2018-07-24 | | 公開日 | 2019-07-31 | | 最終更新日 | 2023-11-22 | | 実験手法 | X-RAY DIFFRACTION (1.7 Å) | | 主引用文献 | The role of Cinnamaldehyde and Phenyl ethyl alcohol as two types of precipitants affecting protein hydration levels.
Int.J.Biol.Macromol., 146, 2019
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5ENN
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4UDW
 | | Thrombin in complex with 1-(2R)-2-amino-3-phenyl-propanoyl-N-(2, 5dichlorophenyl)methylpyrrolidine-2-carboxamide | | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, D-phenylalanyl-N-(2,5-dichlorobenzyl)-L-prolinamide, GLYCEROL, ... | | 著者 | Ruehmann, E, Heine, A, Klebe, G. | | 登録日 | 2014-12-12 | | 公開日 | 2015-08-26 | | 最終更新日 | 2023-12-20 | | 実験手法 | X-RAY DIFFRACTION (1.16 Å) | | 主引用文献 | Fragments Can Bind Either More Enthalpy or Entropy-Driven: Crystal Structures and Residual Hydration Pattern Suggest Why.
J.Med.Chem., 58, 2015
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4UFE
 | | Thrombin in complex with (2R)-2-(benzylsulfonylamino)-N-(2-((4- carbamimidoylphenyl)methylamino)-2-oxo-butyl)-3-phenyl-propanamide | | 分子名称: | (2R)-N-[(2S)-1-[(4-carbamimidoylphenyl)methylamino]-1-oxidanylidene-propan-2-yl]-3-phenyl-2-[(phenylmethyl)sulfonylamino]propanamide, 2-acetamido-2-deoxy-beta-D-glucopyranose, HIRUDIN VARIANT-2, ... | | 著者 | Ruehmann, E, Heine, A, Klebe, G. | | 登録日 | 2015-03-16 | | 公開日 | 2016-01-27 | | 最終更新日 | 2023-12-20 | | 実験手法 | X-RAY DIFFRACTION (1.593 Å) | | 主引用文献 | Boosting Affinity by Correct Ligand Preorganization for the S2 Pocket of Thrombin: A Study by Isothermal Titration Calorimetry, Molecular Dynamics, and High-Resolution Crystal Structures.
Chemmedchem, 11, 2016
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6AGR
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5ETN
 | | E. coli 6-hydroxymethyl-7,8-dihydropterin pyrophosphokinase complexed with AMPCPP and inhibitor at 1.40 angstrom resolution | | 分子名称: | 2-amino-4-hydroxy-6-hydroxymethyldihydropteridine pyrophosphokinase, 2-azanyl-8-[(4-chlorophenyl)methylsulfanyl]-1,9-dihydropurin-6-one, ADENOSINE-5'-TRIPHOSPHATE, ... | | 著者 | Dennis, M.L, Peat, T.S, Swarbrick, J.D. | | 登録日 | 2015-11-17 | | 公開日 | 2016-05-04 | | 最終更新日 | 2023-09-27 | | 実験手法 | X-RAY DIFFRACTION (1.4 Å) | | 主引用文献 | Structural Basis for the Selective Binding of Inhibitors to 6-Hydroxymethyl-7,8-dihydropterin Pyrophosphokinase from Staphylococcus aureus and Escherichia coli.
J.Med.Chem., 59, 2016
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5ETK
 | | E. coli 6-hydroxymethyl-7,8-dihydropterin pyrophosphokinase complexed with AMPCPP and inhibitor at 1.09 angstrom resolution | | 分子名称: | 2-amino-4-hydroxy-6-hydroxymethyldihydropteridine pyrophosphokinase, 2-azanyl-8-[(2-fluorophenyl)methylsulfanyl]-1,9-dihydropurin-6-one, CALCIUM ION, ... | | 著者 | Dennis, M.L, Peat, T.S, Swarbrick, J.D. | | 登録日 | 2015-11-17 | | 公開日 | 2016-05-04 | | 最終更新日 | 2023-09-27 | | 実験手法 | X-RAY DIFFRACTION (1.09 Å) | | 主引用文献 | Structural Basis for the Selective Binding of Inhibitors to 6-Hydroxymethyl-7,8-dihydropterin Pyrophosphokinase from Staphylococcus aureus and Escherichia coli.
J.Med.Chem., 59, 2016
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6AH7
 | | D45W/H226G mutant of marine bacterial prolidase | | 分子名称: | MANGANESE (II) ION, SODIUM ION, SULFATE ION, ... | | 著者 | Jian, Y, Yunzhu, X, Lijuan, L. | | 登録日 | 2018-08-17 | | 公開日 | 2019-09-18 | | 最終更新日 | 2023-11-22 | | 実験手法 | X-RAY DIFFRACTION (2.38 Å) | | 主引用文献 | Repurposing a bacterial prolidase for organophosphorus hydrolysis: Reshaped catalytic cavity switches substrate selectivity.
Biotechnol.Bioeng., 117, 2020
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7Z4W
 | | gp6/gp15/gp16 connector complex of bacteriophage SPP1 | | 分子名称: | Head completion protein gp15, Head completion protein gp16, Portal protein | | 著者 | Orlov, I, Roche, S, Tavares, P, Orlova, E.V. | | 登録日 | 2022-03-05 | | 公開日 | 2022-11-30 | | 最終更新日 | 2022-12-07 | | 実験手法 | ELECTRON MICROSCOPY (2.7 Å) | | 主引用文献 | CryoEM structure and assembly mechanism of a bacterial virus genome gatekeeper.
Nat Commun, 13, 2022
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4UND
 | | HUMAN ARTD1 (PARP1) - CATALYTIC DOMAIN IN COMPLEX WITH INHIBITOR TALAZOPARIB | | 分子名称: | (8S,9R)-5-fluoro-8-(4-fluorophenyl)-9-(1-methyl-1H-1,2,4-triazol-5-yl)-2,7,8,9-tetrahydro-3H-pyrido[4,3,2-de]phthalazin-3-one, POLY [ADP-RIBOSE] POLYMERASE 1, SODIUM ION | | 著者 | Karlberg, T, Thorsell, A.G, Ekblad, T, Klepsch, M, Pinto, A.F, Tresaugues, L, Moche, M, Schuler, H. | | 登録日 | 2014-05-27 | | 公開日 | 2015-06-17 | | 最終更新日 | 2024-01-10 | | 実験手法 | X-RAY DIFFRACTION (2.2 Å) | | 主引用文献 | Structural Basis for Potency and Promiscuity in Poly(ADP-ribose) Polymerase (PARP) and Tankyrase Inhibitors.
J. Med. Chem., 60, 2017
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6S2V
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5EWM
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6A1C
 | | Crystal structure of the CK2a1-go289 complex | | 分子名称: | 1,2-ETHANEDIOL, 5-bromanyl-2-methoxy-4-[(E)-(3-methylsulfanyl-5-phenyl-1,2,4-triazol-4-yl)iminomethyl]phenol, Casein kinase II subunit alpha, ... | | 著者 | Kinoshita, T, Tsuyuguchi, M. | | 登録日 | 2018-06-07 | | 公開日 | 2019-03-06 | | 最終更新日 | 2023-11-22 | | 実験手法 | X-RAY DIFFRACTION (1.68 Å) | | 主引用文献 | Cell-based screen identifies a new potent and highly selective CK2 inhibitor for modulation of circadian rhythms and cancer cell growth.
Sci Adv, 5, 2019
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6A3B
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6S2T
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6A5S
 | | Structure of 14-3-3 gamma in complex with TFEB 14-3-3 binding motif | | 分子名称: | 14-3-3 protein gamma, MAGNESIUM ION, SODIUM ION, ... | | 著者 | Xu, Y, Ren, J.Q, Feng, W. | | 登録日 | 2018-06-25 | | 公開日 | 2019-02-13 | | 最終更新日 | 2023-11-22 | | 実験手法 | X-RAY DIFFRACTION (2.099 Å) | | 主引用文献 | YWHA/14-3-3 proteins recognize phosphorylated TFEB by a noncanonical mode for controlling TFEB cytoplasmic localization.
Autophagy, 15, 2019
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6AA9
 | | T166A mutant of D-Serine deaminase from Salmonella typhimurium | | 分子名称: | D-serine dehydratase, PHOSPHATE ION, SODIUM ION | | 著者 | Deka, G, Bharath, S.R, Shavithri, H.S, Murthy, M.R.N. | | 登録日 | 2018-07-17 | | 公開日 | 2019-07-17 | | 最終更新日 | 2023-11-22 | | 実験手法 | X-RAY DIFFRACTION (2.7 Å) | | 主引用文献 | Structural studies on the decameric S. typhimurium arginine decarboxylase (ADC): Pyridoxal 5'-phosphate binding induces conformational changes
Biochem. Biophys. Res. Commun., 490, 2017
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6AGN
 | | Structure of HEWL co-crystallised with Cinnamaldehyde | | 分子名称: | (2E)-3-phenylprop-2-enal, (2Z)-3-phenylprop-2-enal, 1,2-ETHANEDIOL, ... | | 著者 | Seyedarabi, A, Seraj, Z. | | 登録日 | 2018-08-13 | | 公開日 | 2019-08-14 | | 最終更新日 | 2023-11-22 | | 実験手法 | X-RAY DIFFRACTION (1.08 Å) | | 主引用文献 | The role of Cinnamaldehyde and Phenyl ethyl alcohol as two types of precipitants affecting protein hydration levels.
Int.J.Biol.Macromol., 146, 2019
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6RJ4
 | | Molybdenum storage protein - P6422, ADP | | 分子名称: | ADENOSINE-5'-DIPHOSPHATE, ADENOSINE-5'-TRIPHOSPHATE, MAGNESIUM ION, ... | | 著者 | Ermler, U, Bruenle, S. | | 登録日 | 2019-04-26 | | 公開日 | 2019-12-18 | | 最終更新日 | 2024-01-24 | | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | | 主引用文献 | Molybdate pumping into the molybdenum storage protein via an ATP-powered piercing mechanism.
Proc.Natl.Acad.Sci.USA, 2019
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6AK9
 | | Pre-catalytic Ternary Complex of Human DNA Polymerase Mu with Templating Cytosine and Incoming Ca-8oxodGTP | | 分子名称: | 1,2-ETHANEDIOL, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, 8-OXO-2'-DEOXYGUANOSINE-5'-TRIPHOSPHATE, ... | | 著者 | Chang, Y.K, Wu, W.J, Tsai, M.D. | | 登録日 | 2018-08-30 | | 公開日 | 2019-05-29 | | 最終更新日 | 2024-03-27 | | 実験手法 | X-RAY DIFFRACTION (1.91 Å) | | 主引用文献 | Human DNA Polymerase mu Can Use a Noncanonical Mechanism for Multiple Mn2+-Mediated Functions.
J.Am.Chem.Soc., 141, 2019
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