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PDB: 6628 件
5HS0
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Computationally Designed Cyclic Tetramer ank1C4_7
分子名称: Ankyrin domain protein ank1C4_7, GLYCEROL, SULFATE ION
著者McNamara, D.E, Cascio, D, Fallas, J.A, Baker, D, Yeates, T.O.
登録日2016-01-24
公開日2017-04-12
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Computational design of self-assembling cyclic protein homo-oligomers.
Nat Chem, 9, 2017
5HSG
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Crystal structure of an ABC transporter Solute Binding Protein from Klebsiella pneumoniae (KPN_01730, target EFI-511059), APO open structure
分子名称: MAGNESIUM ION, Putative ABC transporter, nucleotide binding/ATPase protein
著者Roth, Y, Vetting, M.W, Al Obaidi, N.F, Toro, R, Morisco, L.L, Benach, J, Koss, J, Wasserman, S.R, Gerlt, J.A, Almo, S.C, Enzyme Function Initiative (EFI)
登録日2016-01-25
公開日2016-03-02
実験手法X-RAY DIFFRACTION (1.3 Å)
主引用文献Crystal structure of an ABC transporter Solute Binding Protein from Klebsiella pneumoniae (KPN_01730, target EFI-511059), APO open structure
To be published
5HKG
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Total chemical synthesis, refolding and crystallographic structure of a fully active immunophilin: calstabin 2 (FKBP12.6).
分子名称: 1,2-ETHANEDIOL, CHLORIDE ION, Peptidyl-prolyl cis-trans isomerase FKBP1B, ...
著者Sirigu, S, Huet, T, Bacchi, M, Jullian, M, Fould, B, Ferry, G, Vuillard, L, Chavas, L, Puget, K, Nosjean, O, Boutin, J.A.
登録日2016-01-14
公開日2016-10-05
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Total chemical synthesis, refolding, and crystallographic structure of fully active immunophilin calstabin 2 (FKBP12.6).
Protein Sci., 25, 2016
5HKO
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Crystal structure of ABC transporter Solute Binding Protein MSMEG_3598 from Mycobacterium smegmatis str. MC2 155, target EFI-510969, in complex with L-sorbitol
分子名称: ABC transporter, carbohydrate uptake transporter-2 (CUT2) family, periplasmic sugar-binding protein, ...
著者Roth, Y, Vetting, M.W, Al Obaidi, N.F, Toro, R, Morisco, L.L, Benach, J, Koss, J, Wasserman, S.R, Gerlt, J.A, Almo, S.C, Enzyme Function Initiative (EFI)
登録日2016-01-14
公開日2016-02-03
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (1.2 Å)
主引用文献Crystal structure of ABC transporter Solute Binding Protein MSMEG_3598 from Mycobacterium smegmatis str. MC2 155, target EFI-510969, in complex with L-sorbitol
To be published
1SZX
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Role Of Hydrogen Bonding In The Active Site Of Human Manganese Superoxide Dismutase
分子名称: MANGANESE (II) ION, Superoxide dismutase [Mn], mitochondrial
著者Greenleaf, W.B, Perry, J.J, Hearn, A.S, Cabelli, D.E, Lepock, J.R, Stroupe, M.E, Tainer, J.A, Nick, H.S, Silverman, D.N.
登録日2004-04-06
公開日2004-04-27
最終更新日2023-08-23
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献Role of hydrogen bonding in the active site of human manganese superoxide dismutase.
Biochemistry, 43, 2004
1T31
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A Dual Inhibitor of the Leukocyte Proteases Cathepsin G and Chymase with Therapeutic Efficacy in Animals Models of Inflammation
分子名称: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 2-[3-({METHYL[1-(2-NAPHTHOYL)PIPERIDIN-4-YL]AMINO}CARBONYL)-2-NAPHTHYL]-1-(1-NAPHTHYL)-2-OXOETHYLPHOSPHONIC ACID, 2-acetamido-2-deoxy-beta-D-glucopyranose, ...
著者de Garavilla, L, Greco, M.N, Giardino, E.C, Wells, G.I, Haertlein, B.J, Kauffman, J.A, Corcoran, T.W, Derian, C.K, Eckardt, A.J, Abraham, W.M, Sukumar, N, Chen, Z, Pineda, A.O, Mathews, F.S, Di Cera, E, Andrade-Gordon, P, Damiano, B.P, Maryanoff, B.E, Pereira, P.J.B, Wang, Z.M, Rubin, H, Huber, R, Bode, W, Schechter, N.M, Strobl, S.
登録日2004-04-23
公開日2005-03-01
最終更新日2023-08-23
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献A novel, potent dual inhibitor of the leukocyte proteases cathepsin G and chymase: molecular mechanisms and anti-inflammatory activity in vivo.
J.Biol.Chem., 280, 2005
5HRZ
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Computationally Designed Trimer 1na0C3_3
分子名称: TPR domain protein 1na0C3_3
著者Cascio, D, McNamara, D.E, Fallas, J.A, Baker, D, Yeates, T.O.
登録日2016-01-24
公開日2017-04-12
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.15 Å)
主引用文献Computational design of self-assembling cyclic protein homo-oligomers.
Nat Chem, 9, 2017
1TB6
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2.5A Crystal Structure of the Antithrombin-Thrombin-Heparin Ternary Complex
分子名称: (4S)-2-METHYL-2,4-PENTANEDIOL, 2,3,4,6-tetra-O-sulfonato-alpha-D-glucopyranose-(1-4)-2,3,6-tri-O-sulfo-alpha-D-glucopyranose-(1-4)-2,3,6-tri-O-sulfonato-beta-D-glucopyranose-(1-4)-2,3-di-O-methyl-6-O-sulfonato-alpha-D-glucopyranose-(1-4)-2,3,6-tri-O-methyl-beta-D-glucopyranose-(1-4)-2,3,6-tri-O-methyl-alpha-D-glucopyranose-(1-4)-2,3,6-tri-O-methyl-beta-D-glucopyranose-(1-4)-2,3,6-tri-O-methyl-alpha-D-glucopyranose-(1-4)-2,3,6-tri-O-methyl-beta-D-glucopyranose-(1-4)-2,3,6-tri-O-methyl-alpha-D-glucopyranose-(1-4)-2,3,6-tri-O-methyl-beta-D-glucopyranose-(1-4)-2,3-di-O-methyl-6-O-sulfonato-alpha-D-glucopyranose-(1-4)-2,3-di-O-methyl-beta-D-glucopyranuronic acid-(1-4)-2,3,6-tri-O-sulfo-alpha-D-glucopyranose-(1-4)-2,3-di-O-methyl-alpha-L-idopyranuronic acid-(1-4)-methyl 3-O-methyl-2,6-di-O-sulfo-alpha-D-glucopyranoside, 2-acetamido-2-deoxy-beta-D-glucopyranose, ...
著者Li, W, Johnson, D.J, Esmon, C.T, Huntington, J.A.
登録日2004-05-19
公開日2004-08-17
最終更新日2023-08-23
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Structure of the antithrombin-thrombin-heparin ternary complex reveals the antithrombotic mechanism of heparin.
Nat.Struct.Mol.Biol., 11, 2004
1TCO
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TERNARY COMPLEX OF A CALCINEURIN A FRAGMENT, CALCINEURIN B, FKBP12 AND THE IMMUNOSUPPRESSANT DRUG FK506 (TACROLIMUS)
分子名称: 8-DEETHYL-8-[BUT-3-ENYL]-ASCOMYCIN, CALCIUM ION, FE (III) ION, ...
著者Griffith, J.P, Kim, J.L, Kim, E.E, Sintchak, M.D, Thomson, J.A, Fitzgibbon, M.J, Fleming, M.A, Caron, P.R, Hsiao, K, Navia, M.A.
登録日1996-08-21
公開日1997-02-12
最終更新日2024-06-05
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献X-ray structure of calcineurin inhibited by the immunophilin-immunosuppressant FKBP12-FK506 complex.
Cell(Cambridge,Mass.), 82, 1995
1T15
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Crystal Structure of the Brca1 BRCT Domains in Complex with the Phosphorylated Interacting Region from Bach1 Helicase
分子名称: BRCA1 interacting protein C-terminal helicase 1, Breast cancer type 1 susceptibility protein
著者Clapperton, J.A, Manke, I.A, Lowery, D.M, Ho, T, Haire, L.F, Yaffe, M.B, Smerdon, S.J.
登録日2004-04-15
公開日2004-05-11
最終更新日2011-07-13
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献Structure and mechanism of BRCA1 BRCT domain recognition of phosphorylated BACH1 with implications for cancer
Nat.Struct.Mol.Biol., 11, 2004
1M8H
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inducible nitric oxide synthase with 6-nitroindazole bound
分子名称: 5,6,7,8-TETRAHYDROBIOPTERIN, 6-NITROINDAZOLE, PROTOPORPHYRIN IX CONTAINING FE, ...
著者Rosenfeld, R.J, Garcin, E.D, Panda, K, Andersson, G, Aberg, A, Wallace, A.V, Stuehr, D.J, Tainer, J.A, Getzoff, E.D.
登録日2002-07-24
公開日2002-08-07
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (2.85 Å)
主引用文献Conformational Changes in Nitric Oxide Synthases Induced by Chlorzoxazone and Nitroindazoles: Crystallographic and Computational Analyses of Inhibitor Potency
Biochemistry, 41, 2002
1M9K
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Human Endothelial Nitric Oxide Synthase with 7-Nitroindazole Bound
分子名称: 7-NITROINDAZOLE, PROTOPORPHYRIN IX CONTAINING FE, ZINC ION, ...
著者Rosenfeld, R.J, Garcin, E.D, Panda, K, Andersson, G, Aberg, A, Wallace, A.V, Stuehr, D.J, Tainer, J.A, Getzoff, E.D.
登録日2002-07-29
公開日2002-08-14
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (2.01 Å)
主引用文献Conformational Changes in Nitric Oxide Synthases Induced by Chlorzoxazone and Nitroindazoles: Crystallographic and Computational Analyses of Inhibitor Potency
Biochemistry, 41, 2002
1SSZ
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Conformational Mapping of Mini-B: An N-terminal/C-terminal Construct of Surfactant Protein B Using 13C-Enhanced Fourier Transform Infrared (FTIR) Spectroscopy
分子名称: Pulmonary surfactant-associated protein B
著者Waring, A.J, Walther, F.J, Gordon, L.M, Hernandez-Juviel, J.M, Hong, T, Sherman, M.A, Alonso, C, Alig, T, Braun, A, Bacon, D, Zasadzinski, J.A.
登録日2004-03-24
公開日2004-06-15
最終更新日2019-04-24
実験手法INFRARED SPECTROSCOPY
主引用文献The role of charged amphipathic helices in the structure and function of surfactant protein B.
J.Pept.Res., 66, 2005
1TEU
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Effect of Shuttle Location and pH Environment on H+ Transfer in Human Carbonic Anhydrase II
分子名称: Carbonic anhydrase II, ZINC ION
著者Fisher, Z, Hernandez Prada, J.A, Tu, C.K, Duda, D, Yoshioka, C, An, H, Govindasamy, L, Silverman, D.N, McKenna, R.
登録日2004-05-25
公開日2005-01-25
最終更新日2023-08-23
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Structural and Kinetic Characterization of Active-Site Histidine as a Proton Shuttle in Catalysis by Human Carbonic Anhydrase II
Biochemistry, 44, 2005
1SZU
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The structure of gamma-aminobutyrate aminotransferase mutant: V241A
分子名称: 1,2-ETHANEDIOL, 4'-DEOXY-4'-AMINOPYRIDOXAL-5'-PHOSPHATE, 4-aminobutyrate aminotransferase, ...
著者Liu, W, Peterson, P.E, Langston, J.A, Jin, X, Zhou, X, Fisher, A.J, Toney, M.D.
登録日2004-04-06
公開日2005-03-01
最終更新日2021-10-27
実験手法X-RAY DIFFRACTION (2.52 Å)
主引用文献Kinetic and Crystallographic Analysis of Active Site Mutants of Escherichia coligamma-Aminobutyrate Aminotransferase.
Biochemistry, 44, 2005
1TKK
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The Structure of a Substrate-Liganded Complex of the L-Ala-D/L-Glu Epimerase from Bacillus subtilis
分子名称: ALANINE, GLUTAMIC ACID, MAGNESIUM ION, ...
著者Klenchin, V.A, Schmidt, D.M, Gerlt, J.A, Rayment, I.
登録日2004-06-08
公開日2004-08-31
最終更新日2023-08-23
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Evolution of Enzymatic Activities in the Enolase Superfamily: Structure of a Substrate-Liganded Complex of the l-Ala-d/l-Glu Epimerase from Bacillus subtilis(,).
Biochemistry, 43, 2004
1T39
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HUMAN O6-ALKYLGUANINE-DNA ALKYLTRANSFERASE COVALENTLY CROSSLINKED TO DNA
分子名称: 5'-D(*GP*CP*CP*AP*TP*GP*(E1X)P*CP*TP*AP*GP*TP*A)-3', 5'-D(*TP*AP*CP*TP*AP*GP*CP*CP*AP*TP*GP*GP*C)-3', Methylated-DNA--protein-cysteine methyltransferase
著者Daniels, D.S, Woo, T.T, Luu, K.X, Noll, D.M, Clarke, N.D, Pegg, A.E, Tainer, J.A.
登録日2004-04-25
公開日2004-07-13
最終更新日2023-08-23
実験手法X-RAY DIFFRACTION (3.3 Å)
主引用文献DNA binding and nucleotide flipping by the human DNA repair protein AGT.
Nat.Struct.Mol.Biol., 11, 2004
1T3L
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Structural Analysis of the Voltage-Dependent Calcium Channel Beta Subunit Functional Core in Complex with Alpha1 Interaction Domain
分子名称: Dihydropyridine-sensitive L-type, calcium channel beta-2 subunit, Voltage-dependent L-type calcium channel alpha-1S subunit
著者Opatowsky, Y, Chen, C.-C, Campbell, K.P, Hirsch, J.A.
登録日2004-04-27
公開日2004-05-25
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Structural Analysis of Voltage-Dependent Calcium Channel Beta Subunit Functional Core and Its Complex with the Alpha1 Interaction Domain
NEURON, 42, 2004
1T38
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HUMAN O6-ALKYLGUANINE-DNA ALKYLTRANSFERASE BOUND TO DNA CONTAINING O6-METHYLGUANINE
分子名称: 5'-D(*GP*CP*CP*AP*TP*GP*(6OG)P*CP*TP*AP*GP*TP*A)-3', 5'-D(*TP*AP*CP*TP*AP*GP*CP*CP*AP*TP*GP*GP*C)-3', Methylated-DNA--protein-cysteine methyltransferase
著者Daniels, D.S, Woo, T.T, Luu, K.X, Noll, D.M, Clarke, N.D, Pegg, A.E, Tainer, J.A.
登録日2004-04-25
公開日2004-07-13
最終更新日2023-08-23
実験手法X-RAY DIFFRACTION (3.2 Å)
主引用文献DNA binding and nucleotide flipping by the human DNA repair protein AGT.
Nat.Struct.Mol.Biol., 11, 2004
1M3B
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Solution structure of a circular form of the N-terminal SH3 domain (A134C, E135G, R191G mutant) from oncogene protein c-Crk.
分子名称: Proto-oncogene C-crk
著者Schumann, F.H, Varadan, R, Tayakuniyil, P.P, Hall, J.B, Camarero, J.A, Fushman, D.
登録日2002-06-27
公開日2003-08-05
最終更新日2021-10-27
実験手法SOLUTION NMR
主引用文献Changing protein backbone topology: Structural and dynamic consequences of the backbone cyclization in SH3 domain
To be Published
5I35
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Structure of the Human mitochondrial kinase COQ8A R611K with AMPPNP (Cerebellar Ataxia and Ubiquinone Deficiency Through Loss of Unorthodox Kinase Activity)
分子名称: Atypical kinase ADCK3, mitochondrial, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER
著者Bingman, C.A, Stefely, J.A, Pagliarini, D.J, Mitochondrial Protein Partnership (MPP)
登録日2016-02-09
公開日2016-08-17
最終更新日2019-12-25
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Cerebellar Ataxia and Coenzyme Q Deficiency through Loss of Unorthodox Kinase Activity.
Mol.Cell, 63, 2016
1MDZ
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Crystal structure of ArnB aminotransferase with cycloserine and pyridoxal 5' phosphate
分子名称: ArnB aminotransferase, D-[3-HYDROXY-2-METHYL-5-PHOSPHONOOXYMETHYL-PYRIDIN-4-YLMETHYL]-N,O-CYCLOSERYLAMIDE, PYRIDOXAL-5'-PHOSPHATE
著者Noland, B.W, Newman, J.M, Hendle, J, Badger, J, Christopher, J.A, Tresser, J, Buchanan, M.D, Wright, T, Rutter, M.E, Sanderson, W.E, Muller-Dieckmann, H.-J, Gajiwala, K.S, Sauder, J.M, Buchanan, S.G.
登録日2002-08-07
公開日2002-12-11
最終更新日2018-12-26
実験手法X-RAY DIFFRACTION (2.07 Å)
主引用文献Structural studies of Salmonella typhimurium ArnB (PmrH) aminotransferase: A 4-amino-4-deoxy-L-arabinose lipopolysaccharide modifying enzyme
Structure, 10, 2002
5IC6
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Crystal structure of caspase-7 DEVE peptide complex
分子名称: Caspase-7 subunit p11, Caspase-7 subunit p20, DEVE peptide
著者Seaman, J.E, Julien, O, Lee, P.S, Rettenmaier, T.J, Thomsen, N.D, Wells, J.A.
登録日2016-02-22
公開日2016-07-20
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献Cacidases: caspases can cleave after aspartate, glutamate and phosphoserine residues.
Cell Death Differ., 23, 2016
5I74
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X-ray structure of the ts3 human serotonin transporter complexed with Br-citalopram at the central site
分子名称: (1S)-1-(4-bromophenyl)-1-[3-(dimethylamino)propyl]-1,3-dihydro-2-benzofuran-5-carbonitrile, 2-acetamido-2-deoxy-beta-D-glucopyranose, 8B6 antibody, ...
著者Coleman, J.A, Green, E.M, Gouaux, E.
登録日2016-02-16
公開日2016-04-13
最終更新日2020-07-29
実験手法X-RAY DIFFRACTION (3.395 Å)
主引用文献X-ray structures and mechanism of the human serotonin transporter.
Nature, 532, 2016
1M9A
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Crystal structure of the 26 kDa glutathione S-transferase from Schistosoma japonicum complexed with S-hexylglutathione
分子名称: Glutathione S-Transferase 26 kDa, S-HEXYLGLUTATHIONE
著者Cardoso, R.M.F, Daniels, D.S, Bruns, C.M, Tainer, J.A.
登録日2002-07-28
公開日2003-03-04
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Characterization of the electrophile binding site and substrate binding mode of the 26-kDa glutathione S-transferase from Schistosoma japonicum
PROTEINS: STRUCT.,FUNCT.,GENET., 51, 2003

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