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5Z7Y
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BU of 5z7y by Molmil
Crystal structure of Striga hermonthica HTL7 (ShHTL7)
分子名称: 1,2-ETHANEDIOL, 1,4-DIETHYLENE DIOXIDE, Hyposensitive to light 7, ...
著者Xu, Y, Miyakawa, T, Nakamura, A, Tanokura, M.
登録日2018-01-30
公開日2018-08-29
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Structural analysis of HTL and D14 proteins reveals the basis for ligand selectivity in Striga.
Nat Commun, 9, 2018
4ETD
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BU of 4etd by Molmil
Lysozyme, room-temperature, rotating anode, 0.0026 MGy
分子名称: CHLORIDE ION, Lysozyme C
著者Boutet, S, Lomb, L, Williams, G, Barends, T, Aquila, A, Doak, R.B, Weierstall, U, DePonte, D, Steinbrener, J, Shoeman, R, Messerschmidt, M, Barty, A, White, T, Kassemeyer, S, Kirian, R, Seibert, M, Montanez, P, Kenney, C, Herbst, R, Hart, P, Pines, J, Haller, G, Gruner, S, Philllip, H, Tate, M, Hromalik, M, Koerner, L, van Bakel, N, Morse, J, Ghonsalves, W, Arnlund, D, Bogan, M, Calemann, C, Fromme, R, Hampton, C, Hunter, M, Johansson, L, Katona, G, Kupitz, C, Liang, M, Martin, A, Nass, K, Redecke, L, Stellato, F, Timneanu, N, Wang, D, Zatsepin, N, Schafer, D, Defever, K, Neutze, R, Fromme, P, Spence, J, Chapman, H, Schlichting, I.
登録日2012-04-24
公開日2012-06-13
最終更新日2017-11-15
実験手法X-RAY DIFFRACTION (1.904 Å)
主引用文献High-resolution protein structure determination by serial femtosecond crystallography.
Science, 337, 2012
1ZIX
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BU of 1zix by Molmil
Crystal Structure Analysis of the dienelactone hydrolase mutant (E36D, R105H, C123S, G211D, K234N)- 1.8 A
分子名称: Carboxymethylenebutenolidase, GLYCEROL
著者Kim, H.-K, Liu, J.-W, Carr, P.D, Ollis, D.L.
登録日2005-04-27
公開日2005-07-05
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Following directed evolution with crystallography: structural changes observed in changing the substrate specificity of dienelactone hydrolase.
Acta Crystallogr.,Sect.D, 61, 2005
6G69
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BU of 6g69 by Molmil
Crystal structure of a parallel seven-helix coiled coil CC-Type2-IL-Sg-L17E
分子名称: (4R)-2-METHYLPENTANE-2,4-DIOL, (4S)-2-METHYL-2,4-PENTANEDIOL, CC-Type2-IL-Sg-L17E
著者Rhys, G.G, Brady, R.L, Woolfson, D.N.
登録日2018-04-01
公開日2018-10-17
最終更新日2019-01-23
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Maintaining and breaking symmetry in homomeric coiled-coil assemblies.
Nat Commun, 9, 2018
5J13
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BU of 5j13 by Molmil
Structural basis for TSLP antagonism by the therapeutic antibody Tezepelumab (MEDI9929 / AMG-157)
分子名称: SULFATE ION, Thymic stromal lymphopoietin, anti-TSLP Fab-fragment, ...
著者Verstraete, K, Savvides, S.N.
登録日2016-03-28
公開日2017-04-05
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (2.298 Å)
主引用文献Structure and antagonism of the receptor complex mediated by human TSLP in allergy and asthma.
Nat Commun, 8, 2017
5JQN
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BU of 5jqn by Molmil
NitN Amidase from Neterenkonia sp. AN1 after thrombin His-tag removal.
分子名称: Aliphatic amidase
著者Sewell, B.T, Kimani, S.W, Weber, B.W.
登録日2016-05-05
公開日2016-05-18
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.19 Å)
主引用文献QM/MM Modelling of Substrate Binding in the Amidase Active Site
To Be Published
2P93
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BU of 2p93 by Molmil
Factor xa in complex with the inhibitor 5-chloro-N-(2-(4-(2-oxopyridin-1(2H)-yl)benzamido)ethyl)thiophene-2-carboxamide
分子名称: 5-CHLORO-N-(2-(4-(2-OXOPYRIDIN-1(2H)-YL)BENZAMIDO)ETHYL)THIOPHENE-2-CARBOXAMIDE, Factor Xa
著者Chang, C.-H.
登録日2007-03-23
公開日2007-07-24
最終更新日2017-10-18
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献SAR and X-ray structures of enantiopure 1,2-cis-(1R,2S)-cyclopentyldiamine and cyclohexyldiamine derivatives as inhibitors of coagulation Factor Xa
Bioorg.Med.Chem.Lett., 17, 2007
5JPM
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BU of 5jpm by Molmil
Structure of the complex of human complement C4 with MASP-2 rebuilt using iMDFF
分子名称: Complement C4-A, Mannan-binding lectin serine protease 2, beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose
著者Croll, T.I, Andersen, G.R.
登録日2016-05-03
公開日2016-08-10
最終更新日2020-07-29
実験手法X-RAY DIFFRACTION (3.75 Å)
主引用文献Re-evaluation of low-resolution crystal structures via interactive molecular-dynamics flexible fitting (iMDFF): a case study in complement C4.
Acta Crystallogr D Struct Biol, 72, 2016
4ENX
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BU of 4enx by Molmil
Crystal Structure of Pim-1 Kinase in complex with inhibitor (2E,5Z)-2-(2-chlorophenylimino)-5-(4-hydroxy-3-nitrobenzylidene)thiazolidin-4-one
分子名称: (2Z,5Z)-2-[(2-chlorophenyl)imino]-5-(4-hydroxy-3-nitrobenzylidene)-1,3-thiazolidin-4-one, PHOSPHATE ION, Serine/threonine-protein kinase pim-1
著者Parker, L.J, Handa, N, Yokoyama, S.
登録日2012-04-13
公開日2012-08-08
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Flexibility of the P-loop of Pim-1 kinase: observation of a novel conformation induced by interaction with an inhibitor
Acta Crystallogr.,Sect.F, 68, 2012
4CGU
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BU of 4cgu by Molmil
Full length Tah1 bound to yeast PIH1 and HSP90 peptide SRMEEVD
分子名称: GLYCEROL, HEAT SHOCK PROTEIN HSP 90-ALPHA, PROTEIN INTERACTING WITH HSP90 1, ...
著者Roe, S.M, Pal, M.
登録日2013-11-26
公開日2014-05-14
最終更新日2017-06-28
実験手法X-RAY DIFFRACTION (2.11 Å)
主引用文献Structural Basis for Phosphorylation-Dependent Recruitment of Tel2 to Hsp90 by Pih1.
Structure, 22, 2014
7URG
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BU of 7urg by Molmil
cryo-EM structure of ribonucleotide reductase from Synechococcus phage S-CBP4 bound with TTP
分子名称: Ribonucleotide reductase, THYMIDINE-5'-TRIPHOSPHATE
著者Xu, D, Burnim, A.A, Ando, N.
登録日2022-04-21
公開日2022-09-07
最終更新日2022-10-05
実験手法ELECTRON MICROSCOPY (3.46 Å)
主引用文献Comprehensive phylogenetic analysis of the ribonucleotide reductase family reveals an ancestral clade.
Elife, 11, 2022
5JTW
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BU of 5jtw by Molmil
Crystal structure of complement C4b re-refined using iMDFF
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, Complement C4-A
著者Croll, T.I, Andersen, G.R.
登録日2016-05-09
公開日2016-08-10
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (3.5 Å)
主引用文献Re-evaluation of low-resolution crystal structures via interactive molecular-dynamics flexible fitting (iMDFF): a case study in complement C4.
Acta Crystallogr D Struct Biol, 72, 2016
6FKS
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BU of 6fks by Molmil
Crystal structure of a dye-decolorizing peroxidase from Klebsiella pneumoniae (KpDyP)
分子名称: GLYCEROL, Iron-dependent peroxidase, MAGNESIUM ION, ...
著者Pfanzagl, V, Hofbauer, S, Mlynek, G.
登録日2018-01-24
公開日2018-08-08
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.60000467 Å)
主引用文献Roles of distal aspartate and arginine of B-class dye-decolorizing peroxidase in heterolytic hydrogen peroxide cleavage.
J. Biol. Chem., 293, 2018
6FL2
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BU of 6fl2 by Molmil
Crystal structure of a dye-decolorizing peroxidase D143A variant from Klebsiella pneumoniae (KpDyP)
分子名称: GLYCEROL, Iron-dependent peroxidase, MAGNESIUM ION, ...
著者Pfanzagl, V, Hofbauer, S, Mlynek, G.
登録日2018-01-25
公開日2018-08-08
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.270001 Å)
主引用文献Roles of distal aspartate and arginine of B-class dye-decolorizing peroxidase in heterolytic hydrogen peroxide cleavage.
J. Biol. Chem., 293, 2018
2ONY
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BU of 2ony by Molmil
Structure of hPNMT with inhibitor 7-(N-4-chlorophenylaminosulfonyl)-THIQ and AdoHcy
分子名称: N-(4-CHLOROPHENYL)-1,2,3,4-TETRAHYDROISOQUINOLINE-7-SULFONAMIDE, PHOSPHATE ION, Phenylethanolamine N-methyltransferase, ...
著者Drinkwater, N, Martin, J.L.
登録日2007-01-24
公開日2007-10-09
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Enzyme Adaptation to Inhibitor Binding: A Cryptic Binding Site in Phenylethanolamine N-Methyltransferase
J.Med.Chem., 50, 2007
4DED
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BU of 4ded by Molmil
Aurora A in complex with YL1-038-21
分子名称: 1,2-ETHANEDIOL, 2-({2-[(4-carbamoylphenyl)amino]pyrimidin-4-yl}amino)benzamide, Aurora kinase A
著者Martin, M.P, Zhu, J.-Y, Schonbrunn, E.
登録日2012-01-20
公開日2012-08-22
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (3.05 Å)
主引用文献Development of o-Chlorophenyl Substituted Pyrimidines as Exceptionally Potent Aurora Kinase Inhibitors.
J.Med.Chem., 55, 2012
2OR3
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BU of 2or3 by Molmil
Pre-oxidation Complex of Human DJ-1
分子名称: Protein DJ-1, SULFATE ION
著者Witt, A.C, Lakshminarasimhan, M, Wilson, M.A.
登録日2007-02-01
公開日2007-02-13
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (1.2 Å)
主引用文献Cysteine pKa depression by a protonated glutamic acid in human DJ-1.
Biochemistry, 47, 2008
4DCD
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BU of 4dcd by Molmil
1.6A resolution structure of PolioVirus 3C Protease Containing a covalently bound dipeptidyl inhibitor
分子名称: (1S,2S)-2-({N-[(benzyloxy)carbonyl]-L-leucyl}amino)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propane-1-sulfonic acid, 2,3-DIHYDROXY-1,4-DITHIOBUTANE, Genome polyprotein, ...
著者Lovell, S, Battaile, K.P, Kim, Y, Tiew, K.-C, Mandadapu, S.R, Alliston, K.R, Groutas, W.C, Chang, K.O.
登録日2012-01-17
公開日2012-09-05
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (1.69 Å)
主引用文献Broad-Spectrum Antivirals against 3C or 3C-Like Proteases of Picornaviruses, Noroviruses, and Coronaviruses.
J.Virol., 86, 2012
5Z7W
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BU of 5z7w by Molmil
Crystal structure of Striga hermonthica HTL1 (ShHTL1)
分子名称: GLYCEROL, Hyposensitive to light 1, MAGNESIUM ION, ...
著者Xu, Y, Miyakawa, T, Nakamura, A, Tanokura, M.
登録日2018-01-30
公開日2018-08-29
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.657 Å)
主引用文献Structural analysis of HTL and D14 proteins reveals the basis for ligand selectivity in Striga.
Nat Commun, 9, 2018
5JPN
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BU of 5jpn by Molmil
Structure of human complement C4 rebuilt using iMDFF
分子名称: 2-acetamido-2-deoxy-alpha-D-galactopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Complement C4-A, ...
著者Croll, T.I, Andersen, G.R.
登録日2016-05-03
公開日2016-08-10
最終更新日2020-07-29
実験手法X-RAY DIFFRACTION (3.6 Å)
主引用文献Re-evaluation of low-resolution crystal structures via interactive molecular-dynamics flexible fitting (iMDFF): a case study in complement C4.
Acta Crystallogr D Struct Biol, 72, 2016
1Y20
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BU of 1y20 by Molmil
Crystal structure of the NR1 ligand-binding core in complex with ACPC
分子名称: 1-AMINOCYCLOPROPANECARBOXYLIC ACID, Glutamate [NMDA] receptor subunit zeta 1
著者Inanobe, A, Gouaux, E.
登録日2004-11-19
公開日2005-07-12
最終更新日2017-07-26
実験手法X-RAY DIFFRACTION (1.4 Å)
主引用文献Mechanism of Partial Agonist Action at the NR1 Subunit of NMDA Receptors.
Neuron, 47, 2005
5YU9
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BU of 5yu9 by Molmil
Crystal structure of EGFR 696-1022 T790M in complex with Ibrutinib
分子名称: 1-{(3R)-3-[4-amino-3-(4-phenoxyphenyl)-1H-pyrazolo[3,4-d]pyrimidin-1-yl]piperidin-1-yl}prop-2-en-1-one, CHLORIDE ION, Epidermal growth factor receptor
著者Yan, X.E, Yun, C.H.
登録日2017-11-21
公開日2017-12-27
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献Ibrutinib targets mutant-EGFR kinase with a distinct binding conformation.
Oncotarget, 7, 2016
4DN3
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BU of 4dn3 by Molmil
Crystal structure of anti-mcp-1 antibody cnto888
分子名称: CNTO888 HEAVY CHAIN, CNTO888 LIGHT CHAIN
著者Obmolova, G, Teplyakov, A, Malia, T, Grygiel, T, Sweet, R, Snyder, L, Gilliland, G.
登録日2012-02-08
公開日2012-10-03
最終更新日2018-01-24
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Structural basis for high selectivity of anti-CCL2 neutralizing antibody CNTO 888.
Mol.Immunol., 51, 2012
1Y1M
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BU of 1y1m by Molmil
Crystal structure of the NR1 ligand binding core in complex with cycloleucine
分子名称: 1-AMINOCYCLOPENTANECARBOXYLIC ACID, Glutamate [NMDA] receptor subunit zeta 1
著者Inanobe, A, Gouaux, E.
登録日2004-11-18
公開日2005-07-12
最終更新日2017-07-26
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Mechanism of Partial Agonist Action at the NR1 Subunit of NMDA Receptors.
Neuron, 47, 2005
1Y1Z
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BU of 1y1z by Molmil
Crystal structure of the NR1 ligand binding core in complex with ACBC
分子名称: 1-AMINOCYCLOBUTANECARBOXLIC ACID, Glutamate [NMDA] receptor subunit zeta 1
著者Inanobe, A, Gouaux, E.
登録日2004-11-19
公開日2005-07-12
最終更新日2017-07-26
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Mechanism of Partial Agonist Action at the NR1 Subunit of NMDA Receptors.
Neuron, 47, 2005

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