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2AL5
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Crystal structure of the GluR2 ligand binding core (S1S2J) in complex with fluoro-willardiine and aniracetam
分子名称: 1-(4-METHOXYBENZOYL)-2-PYRROLIDINONE, 2-AMINO-3-(5-FLUORO-2,4-DIOXO-3,4-DIHYDRO-2H-PYRIMIDIN-1-YL)-PROPIONIC ACID, Glutamate receptor 2
著者Jin, R, Clark, S, Weeks, A.M, Dudman, J.T, Gouaux, E, Partin, K.M.
登録日2005-08-04
公開日2005-10-25
最終更新日2023-08-23
実験手法X-RAY DIFFRACTION (1.65 Å)
主引用文献Mechanism of positive allosteric modulators acting on AMPA receptors.
J.Neurosci., 25, 2005
2AXT
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Crystal Structure of Photosystem II from Thermosynechococcus elongatus
分子名称: (1S)-2-(ALPHA-L-ALLOPYRANOSYLOXY)-1-[(TRIDECANOYLOXY)METHYL]ETHYL PALMITATE, 1,2-DI-O-ACYL-3-O-[6-DEOXY-6-SULFO-ALPHA-D-GLUCOPYRANOSYL]-SN-GLYCEROL, 1,2-DIPALMITOYL-PHOSPHATIDYL-GLYCEROLE, ...
著者Loll, B, Kern, J, Saenger, W, Zouni, A, Biesiadka, J.
登録日2005-09-06
公開日2005-12-27
最終更新日2017-12-20
実験手法X-RAY DIFFRACTION (3 Å)
主引用文献Towards complete cofactor arrangement in the 3.0 A resolution structure of photosystem II
NATURE, 438, 2005
2L63
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NMR solution structure of GLP-2 in 2,2,2 trifluroethanol
分子名称: Glucagon-like peptide 2
著者Venneti, K.C, Hewage, C.M.
登録日2010-11-12
公開日2011-02-23
最終更新日2024-05-01
実験手法SOLUTION NMR
主引用文献Conformational and molecular interaction studies of glucagon-like peptide-2 with its N-terminal extracellular receptor domain.
Febs Lett., 585, 2011
2ZXW
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BU of 2zxw by Molmil
Bovine heart cytochrome c oxidase at the fully oxidized state (1-s X-ray exposure dataset)
分子名称: (1R)-2-{[{[(2S)-2,3-DIHYDROXYPROPYL]OXY}(HYDROXY)PHOSPHORYL]OXY}-1-[(PALMITOYLOXY)METHYL]ETHYL (11E)-OCTADEC-11-ENOATE, (1S)-2-{[(2-AMINOETHOXY)(HYDROXY)PHOSPHORYL]OXY}-1-[(STEAROYLOXY)METHYL]ETHYL (5E,8E,11E,14E)-ICOSA-5,8,11,14-TETRAENOATE, (7R,17E,20E)-4-HYDROXY-N,N,N-TRIMETHYL-9-OXO-7-[(PALMITOYLOXY)METHYL]-3,5,8-TRIOXA-4-PHOSPHAHEXACOSA-17,20-DIEN-1-AMINIUM 4-OXIDE, ...
著者Aoyama, H, Muramoto, K, Shinzawa-Itoh, K, Hirata, K, Yamashita, E, Tsukihara, T, Ogura, T, Yoshikawa, S.
登録日2009-01-08
公開日2009-02-24
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献A peroxide bridge between Fe and Cu ions in the O2 reduction site of fully oxidized cytochrome c oxidase could suppress the proton pump
Proc.Natl.Acad.Sci.USA, 106, 2009
2JFA
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ESTROGEN RECEPTOR ALPHA LBD IN COMPLEX WITH AN AFFINITY-SELECTED COREPRESSOR PEPTIDE
分子名称: COREPRESSOR PEPTIDE, ESTROGEN RECEPTOR, RALOXIFENE, ...
著者Heldring, N, Pawson, T, McDonnell, D, Treuter, E, Gustafsson, J.A, Pike, A.C.W.
登録日2007-01-29
公開日2007-02-20
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (2.55 Å)
主引用文献Structural Insights Into Corepressor Recognition by Antagonist-Bound Estrogen Receptors.
J.Biol.Chem., 282, 2007
3CSI
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BU of 3csi by Molmil
Crystal Structure of the Glutathione Transferase Pi allelic variant*C, I104V/A113V, in complex with the Chlorambucil-Glutathione Conjugate
分子名称: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CALCIUM ION, CARBONATE ION, ...
著者Parker, L.J.
登録日2008-04-09
公開日2008-07-01
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献The anti-cancer drug chlorambucil as a substrate for the human polymorphic enzyme glutathione transferase P1-1: kinetic properties and crystallographic characterisation of allelic variants.
J.Mol.Biol., 380, 2008
3CHP
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BU of 3chp by Molmil
Crystal structure of leukotriene a4 hydrolase in complex with (3S)-3-amino-4-oxo-4-[(4-phenylmethoxyphenyl)amino]butanoic acid
分子名称: (3S)-3-amino-4-oxo-4-[(4-phenylmethoxyphenyl)amino]butanoic acid, ACETATE ION, IMIDAZOLE, ...
著者Thunnissen, M.M.G.M, Adler, M, Whitlow, M.
登録日2008-03-10
公開日2008-04-22
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Synthesis of glutamic acid analogs as potent inhibitors of leukotriene A4 hydrolase.
Bioorg.Med.Chem., 16, 2008
3CS8
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Structural and Biochemical Basis for the Binding Selectivity of PPARg to PGC-1a
分子名称: 2,4-THIAZOLIDIINEDIONE, 5-[[4-[2-(METHYL-2-PYRIDINYLAMINO)ETHOXY]PHENYL]METHYL]-(9CL), PGC-1alfa peptide, ...
著者Li, Y, Martynowski, D.
登録日2008-04-09
公開日2008-06-03
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Structural and biochemical basis for the binding selectivity of peroxisome proliferator-activated receptor gamma to PGC-1alpha.
J.Biol.Chem., 283, 2008
3CSH
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Crystal Structure of Glutathione Transferase Pi in complex with the Chlorambucil-Glutathione Conjugate
分子名称: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CALCIUM ION, CHLORIDE ION, ...
著者Parker, L.J.
登録日2008-04-09
公開日2008-07-01
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (1.55 Å)
主引用文献The anti-cancer drug chlorambucil as a substrate for the human polymorphic enzyme glutathione transferase P1-1: kinetic properties and crystallographic characterisation of allelic variants.
J.Mol.Biol., 380, 2008
2JP5
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ATWLPPR an anti-angiogenic peptide
分子名称: ATWLPPR peptide
著者Badache, S, Bouchemal, N.C, Herve du Penhoat, C.L.M.
登録日2007-04-20
公開日2008-03-04
最終更新日2023-12-20
実験手法SOLUTION NMR
主引用文献Structure-function analysis of the antiangiogenic ATWLPPR peptide inhibiting VEGF(165) binding to neuropilin-1 and molecular dynamics simulations of the ATWLPPR/neuropilin-1 complex
Peptides, 28, 2007
3CU8
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BU of 3cu8 by Molmil
Impaired binding of 14-3-3 to Raf1 is linked to Noonan and LEOPARD syndrome
分子名称: 14-3-3 protein zeta/delta, MAGNESIUM ION, PROPANOIC ACID, ...
著者Schumacher, B, Weyand, M, Kuhlmann, J, Ottmann, C.
登録日2008-04-16
公開日2009-05-05
最終更新日2017-10-25
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Impaired binding of 14-3-3 to C-RAF in Noonan syndrome suggests new approaches in diseases with increased Ras signaling.
Mol. Cell. Biol., 30, 2010
2AL4
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CRYSTAL STRUCTURE OF THE GLUR2 LIGAND BINDING CORE (S1S2J) IN COMPLEX WITH quisqualate and CX614.
分子名称: (S)-2-AMINO-3-(3,5-DIOXO-[1,2,4]OXADIAZOLIDIN-2-YL)-PROPIONIC ACID, 2,3,6A,7,8,9-HEXAHYDRO-11H-[1,4]DIOXINO[2,3-G]PYRROLO[2,1-B][1,3]BENZOXAZIN-11-ONE, Glutamate receptor 2, ...
著者Jin, R, Clark, S, Weeks, A.M, Dudman, J.T, Gouaux, E, Partin, K.M.
登録日2005-08-04
公開日2005-10-25
最終更新日2023-08-23
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Mechanism of positive allosteric modulators acting on AMPA receptors.
J.Neurosci., 25, 2005
3D29
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BU of 3d29 by Molmil
Proteasome Inhibition by Fellutamide B
分子名称: (3R)-3-HYDROXYDODECANOIC ACID, Fellutamide B, PRE10 isoform 1, ...
著者Groll, M, Hines, J, Fahnestock, M, Crews, M.C.
登録日2008-05-07
公開日2008-06-10
最終更新日2024-03-27
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Proteasome Inhibition by Fellutamide B Induces Nerve Growth Factor Synthesis
Chem.Biol., 15, 2008
3CEK
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BU of 3cek by Molmil
Crystal structure of human dual specificity protein kinase (TTK)
分子名称: 2-(2-(2-(2-(2-(2-ETHOXYETHOXY)ETHOXY)ETHOXY)ETHOXY)ETHOXY)ETHANOL, Dual specificity protein kinase TTK
著者Filippakopoulos, P, Soundararajan, M, Keates, T, Elkins, J.M, King, O, Fedorov, O, Picaud, S.S, Pike, A.C.W, Roos, A, Pilka, E, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Weigelt, J, Bountra, C, Knapp, S, Structural Genomics Consortium (SGC)
登録日2008-02-29
公開日2008-03-18
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Small-molecule kinase inhibitors provide insight into Mps1 cell cycle function.
Nat.Chem.Biol., 6, 2010
3CSU
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BU of 3csu by Molmil
CATALYTIC TRIMER OF ESCHERICHIA COLI ASPARTATE TRANSCARBAMOYLASE
分子名称: CALCIUM ION, PROTEIN (ASPARTATE CARBAMOYLTRANSFERASE)
著者Beernink, P.T, Endrizzi, J.A, Alber, T, Schachman, H.K.
登録日1999-04-22
公開日1999-05-11
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (1.88 Å)
主引用文献Assessment of the allosteric mechanism of aspartate transcarbamoylase based on the crystalline structure of the unregulated catalytic subunit.
Proc.Natl.Acad.Sci.USA, 96, 1999
2JF9
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ESTROGEN RECEPTOR ALPHA LBD IN COMPLEX WITH A TAMOXIFEN-SPECIFIC PEPTIDE ANTAGONIST
分子名称: 1,2-ETHANEDIOL, 4-HYDROXYTAMOXIFEN, AB5 PEPTIDE, ...
著者Heldring, N, Pawson, T, McDonnell, D, Treuter, E, Gustafsson, J.A, Pike, A.C.W.
登録日2007-01-29
公開日2007-02-20
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Structural Insights Into Corepressor Recognition by Antagonist-Bound Estrogen Receptors.
J.Biol.Chem., 282, 2007
3D6C
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BU of 3d6c by Molmil
Crystal structure of Staphylococcal nuclease variant PHS L38E at cryogenic temperature
分子名称: CALCIUM ION, THYMIDINE-3',5'-DIPHOSPHATE, Thermonuclease
著者Harms, M.J, Schlessman, J.L, Sue, G.R, Garcia-Moreno, E.B.
登録日2008-05-19
公開日2008-11-04
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献The pK(a) values of acidic and basic residues buried at the same internal location in a protein are governed by different factors.
J.Mol.Biol., 389, 2009
2JSH
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obestatin NMR structure in SDS/DPC micellar solution
分子名称: Appetite-regulating hormone, Obestatin
著者D'Ursi, A.M, Scrima, M, Esposito, C, Campiglia, P.
登録日2007-07-05
公開日2008-10-21
最終更新日2022-03-16
実験手法SOLUTION NMR
主引用文献Obestatin conformational features: a strategy to unveil obestatin's biological role?
Biochem.Biophys.Res.Commun., 363, 2007
2LK0
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BU of 2lk0 by Molmil
Solution structure and binding studies of the RanBP2-type zinc finger of RBM5
分子名称: RNA-binding protein 5, ZINC ION
著者Farina, B, Pellecchia, M.
登録日2011-09-30
公開日2011-12-28
最終更新日2023-06-14
実験手法SOLUTION NMR
主引用文献Targeting Zinc Finger Domains with Small Molecules: Solution Structure and Binding Studies of the RanBP2-Type Zinc Finger of RBM5.
Chembiochem, 12, 2011
2LHA
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BU of 2lha by Molmil
Solution structure of C2B with IP6
分子名称: INOSITOL HEXAKISPHOSPHATE, Synaptotagmin-1
著者Joung, M, Mohan, S.K, Yu, C.
登録日2011-08-08
公開日2012-05-02
最終更新日2024-05-15
実験手法SOLUTION NMR
主引用文献Molecular Level Interaction of Inositol Hexaphosphate with the C2B Domain of Human Synaptotagmin I
Biochemistry, 2012
5A3U
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BU of 5a3u by Molmil
HIF prolyl hydroxylase 2 (PHD2/EGLN1) in complex with 6-(5-oxo-4-(1H- 1,2,3-triazol-1-yl)-2,5-dihydro-1H-pyrazol-1-yl)nicotinic acid
分子名称: 6-(5-oxo-4-(1H-1,2,3-triazol-1-yl)-2,5-dihydro-1H-pyrazol-1-yl)nicotinic acid, EGL NINE HOMOLOG 1, MANGANESE (II) ION
著者Chowdhury, R, Gomez-Perez, V, Schofield, C.J.
登録日2015-06-03
公開日2015-06-17
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (3.3 Å)
主引用文献Potent and Selective Triazole-Based Inhibitors of the Hypoxia-Inducible Factor Prolyl-Hydroxylases with Activity in the Murine Brain.
Plos One, 10, 2015
4WX7
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Crystal structure of adenovirus 8 protease with a nitrile inhibitor
分子名称: 3-[2-(3,5-dichlorophenyl)-2-methylpropanoyl]-N-(2-{[(2Z)-2-iminoethyl]amino}-2-oxoethyl)-4-methoxybenzamide, PVI, Protease
著者Grosche, P, Sirockin, F, Mac Sweeney, A, Ramage, P, Erbel, P, Melkko, S, Bernardi, A, Hughes, N, Ellis, D, Combrink, K, Jarousse, N, Altmann, E.
登録日2014-11-13
公開日2015-01-14
最終更新日2015-01-28
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Structure-based design and optimization of potent inhibitors of the adenoviral protease.
Bioorg.Med.Chem.Lett., 25, 2015
2LZG
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NMR Structure of Mdm2 (6-125) with Pip-1
分子名称: E3 ubiquitin-protein ligase Mdm2, [(3R,5R,6S)-5-(3-chlorophenyl)-6-(4-chlorophenyl)-1-(cyclopropylmethyl)-2-oxopiperidin-3-yl]acetic acid
著者Michelsen, K.B, Jordan, J.B, Lewis, J, Long, A.M, Yang, E, Rew, Y, Zhou, J, Yakowec, P, Schnier, P.D, Huang, X, Poppe, L.
登録日2012-10-02
公開日2012-11-07
最終更新日2024-05-01
実験手法SOLUTION NMR
主引用文献Ordering of the N-Terminus of Human MDM2 by Small Molecule Inhibitors.
J.Am.Chem.Soc., 134, 2012
4WYI
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The crystal structure of Arabidopsis thaliana galactolipid synthase, MGD1 (apo-form)
分子名称: Monogalactosyldiacylglycerol synthase 1, chloroplastic
著者Rocha, J, Breton, C.
登録日2014-11-17
公開日2016-02-17
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Structural insights and membrane binding properties of MGD1, the major galactolipid synthase in plants.
Plant J., 85, 2016
5AGR
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Crystal structure of the LeuRS editing domain of Mycobacterium tuberculosis in complex with the adduct (S)-3-(Aminomethyl)-7-ethoxybenzo[c][1,2]oxaborol-1(3H)-ol-AMP
分子名称: 1,2-ETHANEDIOL, 3-AMINOMETHYL-7-(ETHOXY)-3H-BENZO[C][1,2]OXABOROL-1-OL modified adenosine, LEUCINE, ...
著者Palencia, A, Li, X, Alley, M.R.K, Ding, C, Easom, E.E, Hernandez, V, Meewan, M, Mohan, M, Rock, F.L, Franzblau, S.G, Wang, Y, Lenaerts, A.J, Parish, T, Cooper, C.B, Waters, M.G, Ma, Z, Mendoza, A, Barros, D, Cusack, S, Plattner, J.J.
登録日2015-02-03
公開日2016-03-02
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.3 Å)
主引用文献Discovery of Novel Oral Protein Synthesis Inhibitors of Mycobacterium Tuberculosis that Target Leucyl-tRNA Synthetase.
Antimicrob.Agents Chemother., 60, 2016

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