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PDB: 45910 件

5AEI
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Designed Armadillo repeat protein YIIIM5AII in complex with peptide (KR)5
分子名称: ACETATE ION, CALCIUM ION, DESIGNED ARMADILLO REPEAT PROTEIN YIIIM5AII, ...
著者Hansen, S, Tremmel, D, Madhurantakam, C, Reichen, C, Mittl, P, Plueckthun, A.
登録日2015-08-31
公開日2016-03-30
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.83 Å)
主引用文献Structure and Energetic Contributions of a Designed Modular Peptide-Binding Protein with Picomolar Affinity.
J.Am.Chem.Soc., 138, 2016
5OPB
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Structure of CHK1 10-pt. mutant complex with indazole LRRK2 inhibitor
分子名称: (2~{R},6~{S})-2,6-dimethyl-4-[6-[5-(1-methylcyclopropyl)oxy-1~{H}-indazol-3-yl]pyrimidin-4-yl]morpholine, CHLORIDE ION, Serine/threonine-protein kinase Chk1
著者Dokurno, P, Williamson, D.S, Acheson-Dossang, P, Chen, I, Murray, J.B, Shaw, T, Surgenor, A.E.
登録日2017-08-09
公開日2017-10-25
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.55 Å)
主引用文献Design of Leucine-Rich Repeat Kinase 2 (LRRK2) Inhibitors Using a Crystallographic Surrogate Derived from Checkpoint Kinase 1 (CHK1).
J. Med. Chem., 60, 2017
8EK6
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UCA Y35N (unbound) Fab from CH65-CH67 lineage
分子名称: UCA Fab heavy chain, UCA Fab light chain
著者Maurer, D.P, Schmidt, A.G.
登録日2022-09-20
公開日2023-01-25
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (1.954 Å)
主引用文献Hierarchical sequence-affinity landscapes shape the evolution of breadth in an anti-influenza receptor binding site antibody.
Elife, 12, 2023
2R9Y
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Structure of antiplasmin
分子名称: Alpha-2-antiplasmin
著者Law, R.H.P, Sofian, T, Kan, W.T, Horvath, A.J, Hitchen, C.R, Langendorf, C.G, Buckle, A.M, Whisstock, J.C, Coughlin, P.B.
登録日2007-09-14
公開日2007-12-18
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (2.65 Å)
主引用文献X-ray crystal structure of the fibrinolysis inhibitor {alpha}2-antiplasmin
Blood, 111, 2008
6DU6
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Crystal structure of the pyruvate kinase (PK1) from the mosquito Aedes aegypti
分子名称: 1,6-di-O-phosphono-beta-D-fructofuranose, Pyruvate kinase
著者Pizarro, J.C, Scaraffia, P.Y, Petchampai, N, Murillo-Solano, C.
登録日2018-06-19
公開日2019-01-30
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (3.513 Å)
主引用文献Distinctive regulatory properties of pyruvate kinase 1 from Aedes aegypti mosquitoes.
Insect Biochem. Mol. Biol., 104, 2018
5OQ8
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Structure of CHK1 12-pt. mutant complex with arylbenzamide LRRK2 inhibitor
分子名称: 5-(4-methylpiperazin-1-yl)-2-phenylmethoxy-~{N}-pyridin-3-yl-benzamide, Serine/threonine-protein kinase Chk1
著者Dokurno, P, Williamson, D.S, Acheson-Dossang, P, Chen, I, Murray, J.B, Shaw, T, Surgenor, A.E.
登録日2017-08-10
公開日2017-10-25
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Design of Leucine-Rich Repeat Kinase 2 (LRRK2) Inhibitors Using a Crystallographic Surrogate Derived from Checkpoint Kinase 1 (CHK1).
J. Med. Chem., 60, 2017
8EKH
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I-2 Y35N H35N (unbound) Fab from CH65-CH67 lineage
分子名称: I-2 Fab heavy chain, I-2 Fab light chain
著者Maurer, D.P, Schmidt, A.G.
登録日2022-09-21
公開日2023-01-25
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献Hierarchical sequence-affinity landscapes shape the evolution of breadth in an anti-influenza receptor binding site antibody.
Elife, 12, 2023
1M25
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STRUCTURE OF SYNTHETIC 26-MER PEPTIDE CONTAINING 145-169 SHEEP PRION PROTEIN SEGMENT AND C-TERMINAL CYSTEINE IN TFE SOLUTION
分子名称: MAJOR PRION PROTEIN
著者Megy, S, Bertho, G, Kozin, S.A, Coadou, G, Debey, P, Hoa, G.H, Girault, J.-P.
登録日2002-06-21
公開日2002-07-17
最終更新日2024-05-22
実験手法SOLUTION NMR
主引用文献Possible role of region 152-156 in the structural duality of a peptide fragment from sheep prion protein
Protein Sci., 13, 2004
2RBO
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2-nitrothiophene in complex with T4 lysozyme L99A/M102Q
分子名称: 2-nitrothiophene, Lysozyme, PHOSPHATE ION
著者Graves, A.P, Boyce, S.E, Shoichet, B.K.
登録日2007-09-19
公開日2008-03-18
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (1.29 Å)
主引用文献Rescoring docking hit lists for model cavity sites: predictions and experimental testing.
J.Mol.Biol., 377, 2008
4O6Z
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Crystal structure of serine hydroxymethyltransferase with covalently bound PLP Schiff-base from Plasmodium falciparum
分子名称: PHOSPHATE ION, PYRIDOXAL-5'-PHOSPHATE, Serine hydroxymethyltransferase
著者Chitnumsub, P, Jaruwat, A, Leartsakulpanich, U.
登録日2013-12-24
公開日2014-06-11
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (2.98 Å)
主引用文献The structure of Plasmodium falciparum serine hydroxymethyltransferase reveals a novel redox switch that regulates its activities.
Acta Crystallogr.,Sect.D, 70, 2014
8EQH
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The crystal structure of 14-3-3 Beta containing 3-nitrotyrosine at position Y213
分子名称: 14-3-3 protein beta/alpha
著者Zhu, P, Cooley, R.B.
登録日2022-10-07
公開日2023-01-25
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Genetic encoding of 3-nitro-tyrosine reveals the impacts of 14-3-3 nitration on client binding and dephosphorylation.
Protein Sci., 32, 2023
8BQ7
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Structure of the mouse 8-oxoguanine DNA Glycosylase mOGG1 in complex with ligand TH2829
分子名称: GLYCEROL, N-glycosylase/DNA lyase, NICKEL (II) ION, ...
著者Scaletti, E, Stenmark, P.
登録日2022-11-19
公開日2023-11-29
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Structure of the mouse 8-oxoguanine DNA Glycosylase mOGG1 in complex with ligand TH2829
To Be Published
1SF2
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BU of 1sf2 by Molmil
Structure of E. coli gamma-aminobutyrate aminotransferase
分子名称: 1,2-ETHANEDIOL, 4-aminobutyrate aminotransferase, PYRIDOXAL-5'-PHOSPHATE, ...
著者Liu, W, Peterson, P.E, Carter, R.J, Zhou, X, Langston, J.A, Fisher, A.J, Toney, M.D.
登録日2004-02-19
公開日2004-09-14
最終更新日2018-01-31
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Crystal structures of unbound and aminooxyacetate-bound Escherichia coli gamma-aminobutyrate aminotransferase.
Biochemistry, 43, 2004
2IU3
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Crystal structures of transition state analogue inhibitors of inosine monophosphate cyclohydrolase
分子名称: 1,5-DIHYDROIMIDAZO[4,5-C][1,2,6]THIADIAZIN-4(3H)-ONE 2,2-DIOXIDE, BIFUNCTIONAL PURINE BIOSYNTHESIS PROTEIN PURH, POTASSIUM ION
著者Xu, L, Chong, Y, Hwang, I, D'Onofrio, A, Amore, K, Beardsley, G.P, Li, C, Olson, A.J, Boger, D.L, Wilson, I.A.
登録日2006-05-27
公開日2007-02-20
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (2.9 Å)
主引用文献Structure-based design, synthesis, evaluation, and crystal structures of transition state analogue inhibitors of inosine monophosphate cyclohydrolase.
J. Biol. Chem., 282, 2007
3UKI
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BU of 3uki by Molmil
Crystal structure of reduced OxyR from Porphyromonas gingivalis
分子名称: OxyR
著者Svintradze, D.V, Wright, H.T, Collazo-Santiago, E.A, Lewis, J.P.
登録日2011-11-09
公開日2013-07-31
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (4.15 Å)
主引用文献Structures of the Porphyromonas gingivalis OxyR regulatory domain explain differences in expression of the OxyR regulon in Escherichia coli and P. gingivalis.
Acta Crystallogr.,Sect.D, 69, 2013
4C6Z
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Crystal structure of M. tuberculosis C171Q KasA in complex with TLM3
分子名称: (2R)-2-(hexadecanoyloxy)-3-{[(10R)-10-methyloctadecanoyl]oxy}propyl phosphate, (5R)-3-ethyl-4-hydroxy-5-methyl-5-[(1E)-2-methylbuta-1,3-dien-1-yl]thiophen-2(5H)-one, 1,2-ETHANEDIOL, ...
著者Schiebel, J, Kapilashrami, K, Fekete, A, Bommineni, G.R, Schaefer, C.M, Mueller, M.J, Tonge, P.J, Kisker, C.
登録日2013-09-19
公開日2013-10-09
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Structural Basis for the Recognition of Mycolic Acid Precursors by Kasa, a Condensing Enzyme and Drug Target from Mycobacterium Tuberculosis
J.Biol.Chem., 288, 2013
2IU0
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crystal structures of transition state analogue inhibitors of inosine monophosphate cyclohydrolase
分子名称: 1,5-DIHYDROIMIDAZO[4,5-C][1,2,6]THIADIAZIN-4(3H)-ONE 2,2-DIOXIDE, BIFUNCTIONAL PURINE BIOSYNTHESIS PROTEIN PURH, POTASSIUM ION
著者Xu, L, Chong, Y, Hwang, I, Onofrio, A.D, Amore, K, Beardsley, G.P, Li, C, Olson, A.J, Boger, D.L, Wilson, I.A.
登録日2006-05-26
公開日2007-02-20
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (2.53 Å)
主引用文献Structure-Based Design, Synthesis, Evaluation, and Crystal Structures of Transition State Analogue Inhibitors of Inosine Monophosphate Cyclohydrolase
J.Biol.Chem., 282, 2007
8BP6
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Structure of MHC-class I related molecule MR1 with bound M3Ade
分子名称: (1R,5S)-8-(9H-purin-6-yl)-2-oxa-8-azabicyclo[3.3.1]nona-3,6-diene-4,6-dicarbaldehyde, Beta-2-microglobulin,Major histocompatibility complex class I-related gene protein
著者Berloffa, G, Jakob, R.P, Maier, T.
登録日2022-11-16
公開日2023-11-29
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献The carbonyl nucleoside adduct M3Ade stabilizes MR1 and activates MR1-restricted self- and tumor-reactive T cells
To Be Published
2RIF
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CBS domain protein PAE2072 from Pyrobaculum aerophilum complexed with AMP
分子名称: ADENOSINE MONOPHOSPHATE, CESIUM ION, Conserved protein with 2 CBS domains
著者Lee, T.M, King, N.P, Sawaya, M.R, Cascio, D, Yeates, T.O.
登録日2007-10-10
公開日2008-06-17
最終更新日2017-10-25
実験手法X-RAY DIFFRACTION (2.35 Å)
主引用文献Structures and Functional Implications of an AMP-Binding Cystathionine beta-Synthase Domain Protein from a Hyperthermophilic Archaeon.
J.Mol.Biol., 380, 2008
4K2Z
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Crystal structure of the complex of type I Ribosome inactivating protein from Momordica balsamina with Methylethylamine at 1.80 A resolution
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, GLYCEROL, METHYLETHYLAMINE, ...
著者Yamini, S, Pandey, S, Kushwaha, G.S, Sinha, M, Kaur, P, Sharma, S, Singh, T.P.
登録日2013-04-10
公開日2013-05-01
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Crystal structure of the complex of type I Ribosome inactivating protein from Momordica balsamina with Methylethylamine at 1.80 A resolution
To be Published
8EX1
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Crystal structure of JAK2 JH2 (pseudokinase domain) in complex with Reversine
分子名称: GLYCEROL, N~6~-cyclohexyl-N~2~-(4-morpholin-4-ylphenyl)-9H-purine-2,6-diamine, Tyrosine-protein kinase JAK2
著者Sampathkumar, P, Hubbard, S.R.
登録日2022-10-24
公開日2023-02-01
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Identification of Novel Small Molecule Ligands for JAK2 Pseudokinase Domain.
Pharmaceuticals, 16, 2023
3QRJ
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The crystal structure of human abl1 kinase domain T315I mutant in complex with DCC-2036
分子名称: 4-[4-({[3-tert-butyl-1-(quinolin-6-yl)-1H-pyrazol-5-yl]carbamoyl}amino)-3-fluorophenoxy]-N-methylpyridine-2-carboxamide, Tyrosine-protein kinase ABL1
著者Chan, W.W, Wise, S.C, Kaufman, M.D, Ahn, Y.M, Ensinger, C.L, Haack, T, Hood, M.M, Jones, J, Lord, J.W, Lu, W.P, Miller, D, Patt, W.C, Smith, B.D, Petillo, P.A, Rutkoski, T.J, Telikepalli, H, Vogeti, L, Yao, T, Chun, L, Clark, R, Evangelista, P, Gavrilescu, L.C, Lazarides, K, Zaleskas, V.M, Stewart, L.J, Van Etten, R.A, Flynn, D.L.
登録日2011-02-18
公開日2011-06-01
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (1.82 Å)
主引用文献Conformational Control Inhibition of the BCR-ABL1 Tyrosine Kinase, Including the Gatekeeper T315I Mutant, by the Switch-Control Inhibitor DCC-2036.
Cancer Cell, 19, 2011
2J67
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The TIR domain of human Toll-Like Receptor 10 (TLR10)
分子名称: TOLL LIKE RECEPTOR 10
著者Stenmark, P, Ogg, D, Arrowsmith, C, Berglund, H, Busam, R, Collins, R, Edwards, A, Ericsson, U.B, Flodin, S, Flores, A, Graslund, S, Hammarstrom, M, Hallberg, B.M, Holmberg Schiavone, L, Hogbom, M, Johansson, I, Karlberg, T, Kotenyova, T, Magnusdottir, A, Nilsson, M.E, Nilsson-Ehle, P, Nyman, T, Persson, C, Sagemark, J, Sundstrom, M, Uppenberg, J, Thorsell, A.G, Van Den Berg, S, Wallden, K, Weigelt, J, Welin, M, Nordlund, P.
登録日2006-09-26
公開日2006-09-27
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献The Crystal Structure of the Human Toll-Like Receptor 10 Cytoplasmic Domain Reveals a Putative Signaling Dimer.
J.Biol.Chem., 283, 2008
3MLZ
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Crystal structure of anti-HIV-1 V3 Fab 3074 in complex with a VI191 V3 peptide
分子名称: HIV-1 gp120 third variable region (V3) crown, Human monoclonal anti-HIV-1 gp120 V3 antibody 3074 Fab heavy chain, Human monoclonal anti-HIV-1 gp120 V3 antibody 3074 Fab light chain
著者Kong, X.-P.
登録日2010-04-18
公開日2010-07-14
最終更新日2017-11-08
実験手法X-RAY DIFFRACTION (2.99 Å)
主引用文献Conserved structural elements in the V3 crown of HIV-1 gp120.
Nat.Struct.Mol.Biol., 17, 2010
5OYH
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crystal structure of the catalytic core of a rhodopsin-guanylyl cyclase with converted specificity in complex with ATPalphaS
分子名称: ADENOSINE-5'-SP-ALPHA-THIO-TRIPHOSPHATE, CALCIUM ION, GLYCEROL, ...
著者Broser, M, Scheib, U, Hegemann, P.
登録日2017-09-09
公開日2018-06-06
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (2.249 Å)
主引用文献Rhodopsin-cyclases for photocontrol of cGMP/cAMP and 2.3 angstrom structure of the adenylyl cyclase domain.
Nat Commun, 9, 2018

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