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2NML
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Crystal structure of HEF2/ERH at 1.55 A resolution
分子名称: Enhancer of rudimentary homolog
著者Jin, T.C, Guo, F, Serebriiskii, I.G, Howard, A.J, Zhang, Y.Z.
登録日2006-10-21
公開日2006-10-31
最終更新日2023-12-27
実験手法X-RAY DIFFRACTION (1.55 Å)
主引用文献A 1.55 A resolution X-ray crystal structure of HEF2/ERH and insights into its transcriptional and cell-cycle interaction networks.
Proteins, 68, 2007
4J0Z
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CRYSTAL STRUCTURE OF BACE-1 IN COMPLEX WITH 5-Cyano-pyridine-2-carboxylic acid [3-((4S,5R)-2-amino-5-fluoro-4-fluoromethyl-5,6-dihydro-4H-[1,3]oxazin-4-yl)-4-fluoro-phenyl]-amide
分子名称: Beta-secretase 1, DIMETHYL SULFOXIDE, N-{3-[(4S,5R)-2-amino-5-fluoro-4-(fluoromethyl)-5,6-dihydro-4H-1,3-oxazin-4-yl]-4-fluorophenyl}-5-cyanopyridine-2-carboxamide, ...
著者Kuglstatter, A, Stihle, M.
登録日2013-01-31
公開日2013-05-01
最終更新日2024-10-30
実験手法X-RAY DIFFRACTION (2.13 Å)
主引用文献beta-Secretase (BACE1) Inhibitors with High In Vivo Efficacy Suitable for Clinical Evaluation in Alzheimer s Disease
J.Med.Chem., 56, 2013
4J1F
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CRYSTAL STRUCTURE OF BACE-1 IN COMPLEX WITH 5-Cyano-pyridine-2-carboxylic acid [3-((4S,6S)-2-amino-4-methyl-6-trifluoromethyl-5,6-dihydro-4H-[1,3]oxazin-4-yl)-4-fluoro-phenyl]-amide
分子名称: Beta-secretase 1, DIMETHYL SULFOXIDE, N-{3-[(4S,6S)-2-amino-4-methyl-6-(trifluoromethyl)-5,6-dihydro-4H-1,3-oxazin-4-yl]-4-fluorophenyl}-5-cyanopyridine-2-carboxamide, ...
著者Kuglstatter, A, Stihle, M.
登録日2013-02-01
公開日2013-05-01
最終更新日2024-11-06
実験手法X-RAY DIFFRACTION (2.25 Å)
主引用文献beta-Secretase (BACE1) Inhibitors with High In Vivo Efficacy Suitable for Clinical Evaluation in Alzheimer s Disease
J.Med.Chem., 56, 2013
2XU0
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Crystal structure of the NTS-DBL1(alpha-1) domain of the Plasmodium falciparum membrane protein 1 (PfEMP1) from the varO strain.
分子名称: ERYTHROCYTE MEMBRANE PROTEIN 1, GLYCEROL, MAGNESIUM ION, ...
著者Juillerat, A, Lewit-Bentley, A, Guillotte, M, Vigan-Womas, I, Hessler, A, Gangnard, S, England, P, Mercereau-Puijalon, O, Bentley, G.A.
登録日2010-10-14
公開日2011-04-06
最終更新日2024-10-23
実験手法X-RAY DIFFRACTION (2.06 Å)
主引用文献Structure of a Plasmodium Falciparum Pfemp1 Rosetting Domain Reveals a Role for the N-Terminal Segment in Heparin-Mediated Rosette Inhibition.
Proc.Natl.Acad.Sci.USA, 108, 2011
1HFF
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NMR solution structures of the vMIP-II 1-10 peptide from Kaposi's sarcoma-associated herpesvirus.
分子名称: VIRAL MACROPHAGE INFLAMMATORY PROTEIN-II
著者Crump, M.P, Elisseeva, E, Gong, J.H, Clark-Lewis, I, Sykes, B.D.
登録日2000-12-01
公開日2000-12-07
最終更新日2024-05-15
実験手法SOLUTION NMR
主引用文献Structure/Function of Human Herpesvirus-8 Mip-II (1-71) and the Antagonist N-Terminal Segment (1-10)
FEBS Lett., 489, 2001
1HFG
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NMR solution structure of vMIP-II 1-71 from Kaposi's sarcoma-associated herpesvirus (minimized average structure).
分子名称: VIRAL MACROPHAGE INFLAMMATORY PROTEIN-II
著者Crump, M.P, Elisseeva, E, Gong, J.-H, Clark-Lewis, I, Sykes, B.D.
登録日2000-12-01
公開日2001-01-07
最終更新日2024-10-09
実験手法SOLUTION NMR
主引用文献Structure/Function of Human Herpesvirus-8 Mip-II (1-71) and the Antagonist N-Terminal Segment (1-10)
FEBS Lett., 489, 2001
2XZ3
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BLV TM hairpin
分子名称: 1,2-ETHANEDIOL, CHLORIDE ION, MALTOSE ABC TRANSPORTER PERIPLASMIC PROTEIN, ...
著者Schuettelkopf, A.W, Lamb, D, Brighty, D.W, van Aalten, D.M.F.
登録日2010-11-22
公開日2011-03-02
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献Charge-Surrounded Pockets and Electrostatic Interactions with Small Ions Modulate the Activity of Retroviral Fusion Proteins.
Plos Pathog., 7, 2011
2XZK
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BU of 2xzk by Molmil
THE ASPERGILLUS FUMIGATUS SIALIDASE IS A KDNASE: STRUCTURAL AND MECHANISTIC INSIGHTS
分子名称: (2R,3R,4R,5R,6S)-2,3-bis(fluoranyl)-4,5-bis(oxidanyl)-6-[(1R,2R)-1,2,3-tris(oxidanyl)propyl]oxane-2-carboxylic acid, 3-deoxy-3-fluoro-D-erythro-alpha-L-manno-non-2-ulopyranosonic acid, CHLORIDE ION, ...
著者Telford, J.C, Yeung, J.H.F, Kiefel, M.J, Watts, A.G, Hader, S, Chan, J, Bennet, A.J, Moore, M.M, Taylor, G.L.
登録日2010-11-26
公開日2011-01-19
最終更新日2024-11-13
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献The Aspergillus Fumigatus Sialidase is a Kdnase: Structural and Mechanistic Insights.
J.Biol.Chem., 286, 2011
1D7U
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Crystal structure of the complex of 2,2-dialkylglycine decarboxylase with LCS
分子名称: POTASSIUM ION, PROTEIN (2,2-DIALKYLGLYCINE DECARBOXYLASE (PYRUVATE)), SODIUM ION, ...
著者Malashkevich, V.N, Toney, M.D, Strop, P, Keller, J, Jansonius, J.N.
登録日1999-10-19
公開日1999-11-19
最終更新日2023-08-09
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献Crystal structures of dialkylglycine decarboxylase inhibitor complexes.
J.Mol.Biol., 294, 1999
4DRO
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BU of 4dro by Molmil
EVALUATION OF SYNTHETIC FK506 ANALOGS AS LIGANDS FOR FKBP51 AND FKBP52: COMPLEX OF FKBP51 WITH (1R)-3-(3,4-dimethoxyphenyl)-1-phenylpropyl (2S)-1-{[(1R,2S)-2-ethyl-1-hydroxycyclohexyl](oxo)acetyl}piperidine-2-carboxylate
分子名称: Peptidyl-prolyl cis-trans isomerase FKBP5, {3-[(1R)-3-(3,4-dimethoxyphenyl)-1-({[(2S)-1-{[(1R,2S)-2-ethyl-1-hydroxycyclohexyl](oxo)acetyl}piperidin-2-yl]carbonyl}oxy)propyl]phenoxy}acetic acid
著者Gopalakrishnan, R, Kozany, C, Gaali, S, Kress, C, Hoogeland, B, Bracher, A, Hausch, F.
登録日2012-02-17
公開日2012-05-16
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (1.1 Å)
主引用文献Evaluation of Synthetic FK506 Analogues as Ligands for the FK506-Binding Proteins 51 and 52.
J.Med.Chem., 55, 2012
7DDZ
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BU of 7ddz by Molmil
The Crystal Structure of Human Neuropeptide Y Y2 Receptor with JNJ-31020028
分子名称: FLAVIN MONONUCLEOTIDE, Human Neuropeptide Y Y2 Receptor fusion protein, ~{N}-[4-[4-[(1~{S})-2-(diethylamino)-2-oxidanylidene-1-phenyl-ethyl]piperazin-1-yl]-3-fluoranyl-phenyl]-2-pyridin-3-yl-benzamide
著者Tang, T, Han, S, Zhao, Q, Wu, B.
登録日2020-10-30
公開日2021-01-27
最終更新日2024-10-16
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Structural basis for ligand recognition of the neuropeptide Y Y 2 receptor.
Nat Commun, 12, 2021
5T05
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Crystal structure of heparan sulfate 6-O-sulfotransferase with bound PAP and IdoA2S containing hexasaccharide substrate
分子名称: 1,2-ETHANEDIOL, 2-deoxy-2-(sulfoamino)-alpha-D-glucopyranose-(1-4)-beta-D-glucopyranuronic acid-(1-4)-2-deoxy-2-(sulfoamino)-alpha-D-glucopyranose-(1-4)-2-O-sulfo-alpha-L-idopyranuronic acid-(1-4)-2-deoxy-2-(sulfoamino)-alpha-D-glucopyranose-(1-4)-beta-D-glucopyranuronic acid, ADENOSINE-3'-5'-DIPHOSPHATE, ...
著者Pedersen, L.C, Moon, A.F, krahn, J.M, Liu, J.
登録日2016-08-15
公開日2017-02-01
最終更新日2024-11-13
実験手法X-RAY DIFFRACTION (1.952 Å)
主引用文献Structure Based Substrate Specificity Analysis of Heparan Sulfate 6-O-Sulfotransferases.
ACS Chem. Biol., 12, 2017
2IUZ
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BU of 2iuz by Molmil
Crystal structure of Aspergillus fumigatus chitinase B1 in complex with C2-dicaffeine
分子名称: 1,1'-ETHANE-1,2-DIYLBIS(3,7-DIMETHYL-3,7-DIHYDRO-1H-PURINE-2,6-DIONE), CHITINASE, SULFATE ION
著者Schuttelkopf, A.W, Andersen, O.A, Rao, F.V, Allwood, M, Lloyd, C.M, Eggleston, I.M, Van Aalten, D.M.F.
登録日2006-06-08
公開日2006-06-12
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献Screening-Based Discovery and Structural Dissection of a Novel Family 18 Chitinase Inhibitor
J.Biol.Chem., 281, 2006
5P9W
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BU of 5p9w by Molmil
rat catechol O-methyltransferase in complex with 4'-fluoro-4,5-dihydroxy-N-{[(1R,2R)-2-{(2S,4R,5R)-4-hydroxy-5-[6-(methylamino)-9H-purin-9-yl]oxolan-2-yl}cyclopropyl]methyl}[1,1'-biphenyl]-3-carboxamide
分子名称: (4S,5S)-1,2-DITHIANE-4,5-DIOL, 2-[N-CYCLOHEXYLAMINO]ETHANE SULFONIC ACID, 4'-fluoro-4,5-dihydroxy-N-{[(1R,2R)-2-{(2S,4R,5R)-4-hydroxy-5-[6-(methylamino)-9H-purin-9-yl]oxolan-2-yl}cyclopropyl]methyl}[1,1'-biphenyl]-3-carboxamide, ...
著者Ehler, A, Lerner, C, Rudolph, M.G.
登録日2016-10-19
公開日2017-11-22
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (1.43 Å)
主引用文献Crystal Structure of a COMT complex
To be published
1LR5
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Crystal structure of auxin binding protein
分子名称: Auxin binding protein 1, ZINC ION, alpha-D-mannopyranose-(1-3)-[alpha-D-mannopyranose-(1-6)]alpha-D-mannopyranose-(1-6)-beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose
著者Woo, E.J, Marshall, J, Bauley, J, Chen, J.-G, Venis, M, Napier, R.M, Pickersgill, R.W.
登録日2002-05-14
公開日2002-06-19
最終更新日2024-11-20
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Crystal structure of auxin-binding protein 1 in complex with auxin.
EMBO J., 21, 2002
1YIL
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Structure of Hen egg white lysozyme soaked with Cu2-Xylylbicyclam
分子名称: 1,1'-[1,4-PHENYLENEBIS(METHYLENE)]BIS[1,4,8,11-TETRAAZA-CYCLOTETRADECANE]CU(II)2, CHLORIDE ION, Lysozyme C, ...
著者Hunter, T.M, McNae, I.W, Liang, X, Bella, J, Parsons, S, Walkinshaw, M.D, Sadler, P.J.
登録日2005-01-12
公開日2005-02-08
最終更新日2024-10-30
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Protein recognition of macrocycles: binding of anti-HIV metallocyclams to lysozyme
Proc.Natl.Acad.Sci.Usa, 102, 2005
2OJ0
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Crystal structure of the duplex form of the HIV-1(LAI) RNA dimerization initiation site MN soaked
分子名称: 5'-R(*CP*UP*UP*GP*CP*UP*GP*AP*AP*GP*CP*GP*CP*GP*CP*AP*CP*GP*GP*CP*AP*AP*G)-3', MANGANESE (II) ION, POTASSIUM ION, ...
著者Ennifar, E, Walter, P, Dumas, P.
登録日2007-01-12
公開日2007-12-25
最終更新日2023-12-27
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Cation-dependent cleavage of the duplex form of the subtype-B HIV-1 RNA dimerization initiation site.
Nucleic Acids Res., 38, 2010
2VB1
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HEWL at 0.65 angstrom resolution
分子名称: 1,2-ETHANEDIOL, ACETATE ION, LYSOZYME C, ...
著者Wang, J, Dauter, M, Alkire, R, Joachimiak, A, Dauter, Z.
登録日2007-09-05
公開日2007-09-18
最終更新日2024-11-13
実験手法X-RAY DIFFRACTION (0.65 Å)
主引用文献Triclinic Lysozyme at 0.65 A Resolution.
Acta Crystallogr.,Sect.D, 63, 2007
1D0V
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CRYSTAL STRUCTURE OF NICOTINATE MONONUCLEOTIDE:5,6-DIMETHYLBENZIMIDAZOLE PHOSPHORIBOSYLTRANSFERASE (COBT) FROM SALMONELLA TYPHIMURIUM COMPLEXED WITH ITS REACTION PRODUCTS DETERMINED TO 1.9 A RESOLUTION
分子名称: ALPHA-RIBAZOLE-5'-PHOSPHATE, NICOTINATE MONONUCLEOTIDE:5,6-DIMETHYLBENZIMIDAZOLE PHOSPHORIBOSYLTRANSFERASE, NICOTINIC ACID
著者Cheong, C.-G, Escalante-Semerena, J.C, Rayment, I.
登録日1999-09-14
公開日1999-12-29
最終更新日2024-11-06
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献The three-dimensional structures of nicotinate mononucleotide:5,6- dimethylbenzimidazole phosphoribosyltransferase (CobT) from Salmonella typhimurium complexed with 5,6-dimethybenzimidazole and its reaction products determined to 1.9 A resolution.
Biochemistry, 38, 1999
2XH2
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Engineering the enolase active site pocket: Crystal structure of the S39N D321A mutant of yeast enolase 1
分子名称: 2-PHOSPHOGLYCERIC ACID, ENOLASE 1, MAGNESIUM ION
著者Schreier, B, Hocker, B.
登録日2010-06-08
公開日2010-08-25
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Engineering the Enolase Magnesium II Binding Site -Implications for its Evolution.
Biochemistry, 49, 2010
3EHU
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Crystal structure of the extracellular domain of human corticotropin releasing factor receptor type 1 (CRFR1) in complex with CRF
分子名称: 2-[BIS-(2-HYDROXY-ETHYL)-AMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, CALCIUM ION, Corticoliberin, ...
著者Pioszak, A.A, Xu, H.E.
登録日2008-09-14
公開日2008-09-30
最終更新日2024-11-13
実験手法X-RAY DIFFRACTION (1.96 Å)
主引用文献Molecular Recognition of Corticotropin-releasing Factor by Its G-protein-coupled Receptor CRFR1.
J.Biol.Chem., 283, 2008
3O96
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Crystal Structure of Human AKT1 with an Allosteric Inhibitor
分子名称: 1-(1-(4-(7-phenyl-1H-imidazo[4,5-g]quinoxalin-6-yl)benzyl)piperidin-4-yl)-1H-benzo[d]imidazol-2(3H)-one, RAC-alpha serine/threonine-protein kinase
著者Voegtli, W.C, Wu, W.-I, Lord-Ondash, H.A, Dizon, F.P, Vigers, G.P.A, Brandhuber, B.J.
登録日2010-08-03
公開日2010-10-13
最終更新日2024-10-16
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献Crystal structure of human AKT1 with an allosteric inhibitor reveals a new mode of kinase inhibition.
Plos One, 5, 2010
2XH0
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Engineering the enolase active site pocket: Crystal structure of the S39N Q167K D321R mutant of yeast enolase 1
分子名称: ENOLASE 1, MAGNESIUM ION, PHOSPHOENOLPYRUVATE
著者Schreier, B, Hocker, B.
登録日2010-06-08
公開日2010-08-25
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Engineering the Enolase Magnesium II Binding Site -Implications for its Evolution.
Biochemistry, 49, 2010
4INS
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THE STRUCTURE OF 2ZN PIG INSULIN CRYSTALS AT 1.5 ANGSTROMS RESOLUTION
分子名称: INSULIN (CHAIN A), INSULIN (CHAIN B), ZINC ION
著者Dodson, G.G, Dodson, E.J, Hodgkin, D.C, Isaacs, N.W, Vijayan, M.
登録日1989-07-10
公開日1990-04-15
最終更新日2024-10-23
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献The structure of 2Zn pig insulin crystals at 1.5 A resolution.
Philos.Trans.R.Soc.London,Ser.B, 319, 1988
3OE9
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Crystal structure of the chemokine CXCR4 receptor in complex with a small molecule antagonist IT1t in P1 spacegroup
分子名称: (6,6-dimethyl-5,6-dihydroimidazo[2,1-b][1,3]thiazol-3-yl)methyl N,N'-dicyclohexylimidothiocarbamate, C-X-C chemokine receptor type 4, Lysozyme Chimera
著者Wu, B, Mol, C.D, Han, G.W, Katritch, V, Chien, E.Y.T, Liu, W, Cherezov, V, Stevens, R.C, Accelerated Technologies Center for Gene to 3D Structure (ATCG3D), GPCR Network (GPCR)
登録日2010-08-12
公開日2010-10-27
最終更新日2024-10-09
実験手法X-RAY DIFFRACTION (3.1 Å)
主引用文献Structures of the CXCR4 chemokine GPCR with small-molecule and cyclic peptide antagonists.
Science, 330, 2010

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