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3APM
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BU of 3apm by Molmil
Crystal structure of the human SNP PAD4 protein
分子名称: Protein-arginine deiminase type-4
著者Horikoshi, N, Tachiwana, H, Saito, K, Osakabe, A, Sato, M, Yamada, M, Akashi, S, Nishimura, Y, Kagawa, W, Kurumizaka, H.
登録日2010-10-19
公開日2011-01-26
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Structural and biochemical analyses of the human PAD4 variant encoded by a functional haplotype gene
Acta Crystallogr.,Sect.D, 67, 2011
3DYB
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BU of 3dyb by Molmil
proteinase K- digalacturonic acid complex
分子名称: 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, CALCIUM ION, Proteinase K, ...
著者Larson, S.B, Day, J.S, McPherson, A, Cudney, R, Nguyen, C, Center for High-Throughput Structural Biology (CHTSB)
登録日2008-07-25
公開日2008-10-07
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (1.32 Å)
主引用文献High-resolution structure of proteinase K cocrystallized with digalacturonic acid.
Acta Crystallogr.,Sect.F, 65, 2009
2ZJJ
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BU of 2zjj by Molmil
Crystal structure of the human BACE1 catalytic domain in complex with 4-(4-fluoro-benzyl)-piperazine-2-carboxylic acid (2-mercapto-ethyl)-amide
分子名称: (2S)-4-(4-fluorobenzyl)-N-(2-sulfanylethyl)piperazine-2-carboxamide, Beta-secretase 1
著者Randal, M, Lam, M.B, Romanowski, M.J.
登録日2008-03-07
公開日2009-01-20
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Fragment-based discovery of novel BACE1 inhibitors using Tethering technology
To be Published
3DM0
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BU of 3dm0 by Molmil
Maltose Binding Protein fusion with RACK1 from A. thaliana
分子名称: 1,2-ETHANEDIOL, Maltose-binding periplasmic protein fused with RACK1, alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose
著者Ullah, H, Scappini, E.L, Moon, A.F, Williams, L.V, Armstrong, D.L, Pedersen, L.C.
登録日2008-06-30
公開日2008-09-09
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Structure of a signal transduction regulator, RACK1, from Arabidopsis thaliana.
Protein Sci., 17, 2008
3DO2
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BU of 3do2 by Molmil
Thermolysin by LB nanotemplate method after high X-Ray dose on ESRF ID14-2 beamline
分子名称: CALCIUM ION, LYSINE, Thermolysin, ...
著者Pechkova, E, Tripathi, S.K, Nicolini, C.
登録日2008-07-03
公開日2009-07-07
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (1.22 Å)
主引用文献Radiation damage in protein structural characterization by Synchrotron Radiation: State of the art and Nanotechnology-based perspective
To be Published
2ZNS
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BU of 2zns by Molmil
Crystal structure of the ligand-binding core of the human ionotropic glutamate receptor, GluR5, in complex with glutamate
分子名称: GLUTAMIC ACID, Glutamate receptor, ionotropic kainate 1
著者Unno, M, Sasaki, M, Ikeda-Saito, M.
登録日2008-05-01
公開日2009-05-05
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Binding and Selectivity of the Marine Toxin Neodysiherbaine A and Its Synthetic Analogues to GluK1 and GluK2 Kainate Receptors.
J.Mol.Biol., 413, 2011
2ZWA
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BU of 2zwa by Molmil
Crystal structure of tRNA wybutosine synthesizing enzyme TYW4
分子名称: 1,2-ETHANEDIOL, CITRIC ACID, Leucine carboxyl methyltransferase 2, ...
著者Suzuki, Y, Noma, A, Suzuki, T, Ishitani, R, Nureki, O.
登録日2008-12-01
公開日2009-06-02
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Structural basis of tRNA modification with CO2 fixation and methylation by wybutosine synthesizing enzyme TYW4.
Nucleic Acids Res., 37, 2009
3DZ5
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BU of 3dz5 by Molmil
Human AdoMetDC with covalently bound 5'-[(2-aminooxyethyl)methylamino]-5'-deoxy-8-methyladenosine
分子名称: 1,4-DIAMINOBUTANE, 5'-{[2-(aminooxy)ethyl](methyl)amino}-5'-deoxy-8-methyladenosine, S-adenosylmethionine decarboxylase alpha chain, ...
著者Bale, S, McCloskey, D.E, Pegg, A.E, Secrist III, J.A, Guida, W.C, Ealick, S.E.
登録日2008-07-29
公開日2009-03-10
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (2.43 Å)
主引用文献New Insights into the Design of Inhibitors of Human S-Adenosylmethionine Decarboxylase: Studies of Adenine C8 Substitution in Structural Analogues of S-Adenosylmethionine
J.Med.Chem., 52, 2009
2ZCK
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BU of 2zck by Molmil
Crystal structure of a ternary complex between PSA, a substrat-acyl intermediate and an activating antibody
分子名称: KGISSQY, Prostate-specific antigen, alpha-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ...
著者Menez, R, Stura, E, Jolivet-Reynaud, C.
登録日2007-11-09
公開日2008-01-29
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (3.1 Å)
主引用文献Crystal structure of a ternary complex between human prostate-specific antigen, its substrate acyl intermediate and an activating antibody
J.Mol.Biol., 376, 2008
3DW3
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BU of 3dw3 by Molmil
Proteinase K by Classical hanging drop method before high X Ray dose on ESRF ID 14-2 beamline
分子名称: CALCIUM ION, Proteinase K
著者Pechkova, E, Tripathi, S.K, Nicolini, C.
登録日2008-07-21
公開日2009-07-07
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (0.99 Å)
主引用文献Radiation damage in protein structural characterization by Synchrotron Radiation: State of the art and Nanotechnology-based perspective
To be Published
2ZFR
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BU of 2zfr by Molmil
Exploring thrombin S3 pocket
分子名称: (S)-N-(4-carbamimidoylbenzyl)-1-(2-(cyclohexyloxy)ethanoyl)pyrrolidine-2-carboxamide, GLYCEROL, Hirudin, ...
著者Brandt, T, Baum, B, Heine, A, Klebe, G.
登録日2008-01-10
公開日2009-01-13
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献Exploring thrombin S3 pocket
To be Published
3DZ3
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BU of 3dz3 by Molmil
Human AdoMetDC F223A mutant with covalently bound S-Adenosylmethionine methyl ester
分子名称: 1,4-DIAMINOBUTANE, S-ADENOSYLMETHIONINE METHYL ESTER, S-adenosylmethionine decarboxylase alpha chain, ...
著者Bale, S, McCloskey, D.E, Pegg, A.E, Secrist III, J.A, Guida, W.C, Ealick, S.E.
登録日2008-07-29
公開日2009-03-10
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (2.62 Å)
主引用文献New Insights into the Design of Inhibitors of Human S-Adenosylmethionine Decarboxylase: Studies of Adenine C8 Substitution in Structural Analogues of S-Adenosylmethionine
J.Med.Chem., 52, 2009
3GJS
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BU of 3gjs by Molmil
Caspase-3 Binds Diverse P4 Residues in Peptides
分子名称: Ac-YVAD-Cho inhibitor, Caspase-3 subunit p12, Caspase-3 subunit p17
著者Fang, B, Fu, G, Agniswamy, J, Harrison, R.W, Weber, I.T.
登録日2009-03-09
公開日2009-03-24
最終更新日2011-08-17
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Caspase-3 binds diverse P4 residues in peptides as revealed by crystallography and structural modeling.
Apoptosis, 14, 2009
2ZJM
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BU of 2zjm by Molmil
Crystal structure of the human BACE1 catalytic domain in complex with N-[1-(5-chloro-2-isopropoxy-3-methoxy-benzyl)-piperidin-4-yl]-2-(4-sulfamoyl-phenoxy)-acetamide
分子名称: Beta-secretase 1, N-{1-[5-chloro-3-methoxy-2-(1-methylethoxy)benzyl]piperidin-4-yl}-2-(4-sulfamoylphenoxy)acetamide
著者Allison, T.J, Pham, P, Romanowski, M.J, Munshi, S.K.
登録日2008-03-07
公開日2009-01-20
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Fragment-based discovery of novel BACE1 inhibitors using Tethering technology
To be Published
2ZK3
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BU of 2zk3 by Molmil
Human peroxisome proliferator-activated receptor gamma ligand binding domain complexed with 8-oxo-eicosatetraenoic acid
分子名称: (5E,11E,14E)-8-oxoicosa-5,9,11,14-tetraenoic acid, Peroxisome proliferator-activated receptor gamma
著者Waku, T, Shiraki, T, Oyama, T, Fujimoto, Y, Morikawa, K.
登録日2008-03-12
公開日2009-02-24
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (2.58 Å)
主引用文献Structural insight into PPARgamma activation through covalent modification with endogenous fatty acids
J.Mol.Biol., 385, 2009
2ZNU
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BU of 2znu by Molmil
Crystal structure of the ligand-binding core of the human ionotropic glutamate receptor, GluR5, in complex with a novel selective agonist, neodysiherbaine A
分子名称: (2R,3aR,6R,7R,7aR)-2-[(2S)-2-amino-2-carboxyethyl]-6,7-dihydroxyhexahydro-2H-furo[3,2-b]pyran-2-carboxylic acid, BETA-MERCAPTOETHANOL, Glutamate receptor, ...
著者Unno, M, Sasaki, M, Ikeda-Saito, M.
登録日2008-05-01
公開日2009-05-05
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Binding and Selectivity of the Marine Toxin Neodysiherbaine A and Its Synthetic Analogues to GluK1 and GluK2 Kainate Receptors.
J.Mol.Biol., 413, 2011
2ZDN
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BU of 2zdn by Molmil
Exploring trypsin S3 pocket
分子名称: (S)-N-(4-carbamimidoylbenzyl)-1-(3-cyclopentylpropanoyl)pyrrolidine-2-carboxamide, CALCIUM ION, Cationic trypsin, ...
著者Baum, B, Brandt, T, Heine, A, Klebe, G.
登録日2007-11-26
公開日2008-10-14
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (1.98 Å)
主引用文献Congeneric but still distinct: how closely related trypsin ligands exhibit different thermodynamic and structural properties
J.Mol.Biol., 405, 2011
2ZDZ
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BU of 2zdz by Molmil
X-ray structure of Bace-1 in complex with compound 3.b.10
分子名称: Beta-secretase 1, N-carbamimidoyl-2-[2-(2-chlorophenyl)-5-[4-(4-ethanoylphenoxy)phenyl]pyrrol-1-yl]ethanamide
著者Chopra, R, Olland, A.
登録日2007-12-04
公開日2008-12-09
最終更新日2011-07-13
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Acylguanidine inhibitors of beta-secretase: optimization of the pyrrole ring substituents extending into the S1 and S3 substrate binding pockets.
Bioorg.Med.Chem.Lett., 18, 2008
2ZRT
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BU of 2zrt by Molmil
Crystal structure of Zn2+-bound form of des3-23ALG-2
分子名称: Programmed cell death protein 6, ZINC ION
著者Suzuki, H, Kawasaki, M, Kakiuchi, T, Shibata, H, Wakatsuki, S, Maki, M.
登録日2008-09-01
公開日2008-11-04
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (3.3 Å)
主引用文献Crystallization and X-ray diffraction analysis of N-terminally truncated human ALG-2
ACTA CRYSTALLOGR.,SECT.F, 64, 2008
2ZET
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BU of 2zet by Molmil
Crystal structure of the small GTPase Rab27B complexed with the Slp homology domain of Slac2-a/melanophilin
分子名称: GUANOSINE-5'-TRIPHOSPHATE, MAGNESIUM ION, Melanophilin, ...
著者Kukimoto-Niino, M, Sakamoto, A, Kanno, E, Hanawa-Suetsugu, K, Terada, T, Shirouzu, M, Fukuda, M, Yokoyama, S, RIKEN Structural Genomics/Proteomics Initiative (RSGI)
登録日2007-12-17
公開日2008-09-30
最終更新日2021-11-10
実験手法X-RAY DIFFRACTION (3 Å)
主引用文献Structural basis for the exclusive specificity of Slac2-a/melanophilin for the Rab27 GTPases.
Structure, 16, 2008
2ZFQ
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BU of 2zfq by Molmil
Exploring thrombin S3 pocket
分子名称: (S)-N-(4-carbamimidoylbenzyl)-1-(2-(cyclopentyloxy)ethanoyl)pyrrolidine-2-carboxamide, BENZAMIDINE, GLYCEROL, ...
著者Brandt, T, Baum, B, Heine, A, Klebe, G.
登録日2008-01-10
公開日2009-01-13
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Exploring thrombin S3 pocket
To be Published
3BPR
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BU of 3bpr by Molmil
Crystal structure of catalytic domain of the proto-oncogene tyrosine-protein kinase MER in complex with inhibitor C52
分子名称: 2-(2-HYDROXYETHYLAMINO)-6-(3-CHLOROANILINO)-9-ISOPROPYLPURINE, CHLORIDE ION, Proto-oncogene tyrosine-protein kinase MER, ...
著者Walker, J.R, Huang, X, Finerty Jr, P.J, Weigelt, J, Arrowsmith, C.H, Edwards, A.M, Bochkarev, A, Dhe-Paganon, S, Structural Genomics Consortium (SGC)
登録日2007-12-19
公開日2008-01-29
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Structural insights into the inhibited states of the Mer receptor tyrosine kinase.
J.Struct.Biol., 165, 2009
3GY3
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A comparative study on the inhibition of bovine beta-trypsin by bis-benzamidines diminazene and pentamidine by X-ray crystallography and ITC
分子名称: 1,2-ETHANEDIOL, 1,5-BIS(4-AMIDINOPHENOXY)PENTANE, CALCIUM ION, ...
著者Perilo, C.S, Pereira, M.T, Santoro, M.M, Nagem, R.A.P.
登録日2009-04-03
公開日2010-03-23
最終更新日2011-07-13
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Structural binding evidence of the trypanocidal drugs Berenil and Pentacarinate active principles to a serine protease model.
Int.J.Biol.Macromol., 46, 2010
3CBR
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BU of 3cbr by Molmil
Crystal structure of human Transthyretin (TTR) at pH3.5
分子名称: Transthyretin
著者Mohamedmohaideen, N.N, Palaninathan, S.K, Snee, W.C, Kelly, J.W, C Sacchettini, J.
登録日2008-02-22
公開日2008-08-12
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Structural insight into pH-induced conformational changes within the native human transthyretin tetramer.
J.Mol.Biol., 382, 2008
3BL9
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Synthetic Gene Encoded DcpS bound to inhibitor DG157493
分子名称: 5-{[1-(2,3-dichlorobenzyl)piperidin-4-yl]methoxy}quinazoline-2,4-diamine, Scavenger mRNA-decapping enzyme DcpS
著者Staker, B.L, Christensen, J, Stewart, L, Accelerated Technologies Center for Gene to 3D Structure (ATCG3D)
登録日2007-12-10
公開日2008-10-21
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献DcpS as a therapeutic target for spinal muscular atrophy.
Acs Chem.Biol., 3, 2008

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