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3DKO
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Complex between the kinase domain of human ephrin type-a receptor 7 (epha7) and inhibitor alw-ii-49-7
分子名称: 5-[(2-methyl-5-{[3-(trifluoromethyl)phenyl]carbamoyl}phenyl)amino]pyridine-3-carboxamide, Ephrin type-A receptor 7
著者Walker, J.R, Syeda, F, Gray, N, Butler-Cole, C, Bountra, C, Wolkstrom, M, Arrowsmith, C.H, Edwards, A.M, Bochkarev, A, Dhe-Paganon, S, Structural Genomics Consortium (SGC)
登録日2008-06-25
公開日2008-08-19
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Kinase domain of human ephrin type-a receptor 7 (epha7) in complex with ALW-II-49-7
To be Published
3DZI
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BU of 3dzi by Molmil
Crystal structure of human CD38 extracellular domain, ribose-5'-phosphate intermediate/GTP complex
分子名称: 2-amino-9-{5-O-[(R)-hydroxy{[(R)-hydroxy(phosphonooxy)phosphoryl]oxy}phosphoryl]-beta-D-ribofuranosyl}-9H-purin-6-yl 5-O-phosphono-beta-D-ribofuranoside, ADP-ribosyl cyclase 1, ANY 5'-MONOPHOSPHATE NUCLEOTIDE, ...
著者Liu, Q, Kriksunov, I.A, Jiang, H, Graeff, R, Lin, H, Lee, H.C, Hao, Q.
登録日2008-07-29
公開日2008-11-04
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (1.73 Å)
主引用文献Covalent and Noncovalent Intermediates of an NAD Utilizing Enzyme, Human CD38.
Chem.Biol., 15, 2008
3DO7
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X-ray structure of a NF-kB p52/RelB/DNA complex
分子名称: 5'-D(*DCP*DGP*DGP*DGP*DAP*DAP*DTP*DTP*DCP*DCP*DC)-3', Avian reticuloendotheliosis viral (V-rel) oncogene related B, Nuclear factor NF-kappa-B p100 subunit
著者Fusco, A, Huang, D.B, Miller, D, Vu, D, Ghosh, G.
登録日2008-07-03
公開日2009-07-21
最終更新日2011-07-13
実験手法X-RAY DIFFRACTION (3.05 Å)
主引用文献NF-kapppaB p52:RelB heterodimer uses different binding modes to recognize different kappaB DNA
TO BE PUBLISHED
3DRB
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BU of 3drb by Molmil
Crystal structure of Human Brain-type Creatine Kinase
分子名称: ADENOSINE-5'-DIPHOSPHATE, Creatine kinase B-type, MAGNESIUM ION
著者Moon, J.H, Bong, S.M, Hwang, K.Y, Chi, Y.M.
登録日2008-07-11
公開日2009-03-17
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Structural studies of human brain-type creatine kinase complexed with the ADP-Mg2+-NO3- -creatine transition-state analogue complex
Febs Lett., 582, 2008
3E0J
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BU of 3e0j by Molmil
X-ray structure of the complex of regulatory subunits of human DNA polymerase delta
分子名称: DNA polymerase subunit delta-2, DNA polymerase subunit delta-3
著者Baranovskiy, A.G, Babayeva, N.D, Pavlov, Y.I, Vassylyev, D.G, Tahirov, T.H.
登録日2008-07-31
公開日2008-12-16
最終更新日2020-10-21
実験手法X-RAY DIFFRACTION (3 Å)
主引用文献X-ray structure of the complex of regulatory subunits of human DNA polymerase delta.
Cell Cycle, 7, 2008
3G0X
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BU of 3g0x by Molmil
Human dihydroorotate dehydrogenase in complex with a leflunomide derivative inhibitor 5
分子名称: (2Z)-N-biphenyl-4-yl-2-cyano-3-cyclopropyl-3-hydroxyprop-2-enamide, Dihydroorotate dehydrogenase, FLAVIN MONONUCLEOTIDE, ...
著者Davies, M, Heikkila, T, McConkey, G.A, Fishwick, C.W.G, Parsons, M.R, Johnson, A.P.
登録日2009-01-29
公開日2009-06-09
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Structure-based design, synthesis, and characterization of inhibitors of human and Plasmodium falciparum dihydroorotate dehydrogenases
J.Med.Chem., 52, 2009
3GDH
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BU of 3gdh by Molmil
Methyltransferase domain of human Trimethylguanosine Synthase 1 (TGS1) bound to m7GTP and adenosyl-homocysteine (active form)
分子名称: 7-METHYL-GUANOSINE-5'-TRIPHOSPHATE, R-1,2-PROPANEDIOL, S-1,2-PROPANEDIOL, ...
著者Monecke, T, Dickmanns, A, Ficner, R.
登録日2009-02-24
公開日2009-06-23
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Structural basis for m7G-cap hypermethylation of small nuclear, small nucleolar and telomerase RNA by the dimethyltransferase TGS1.
Nucleic Acids Res., 37, 2009
3G76
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BU of 3g76 by Molmil
Crystal structure of XIAP-BIR3 in complex with a bivalent compound
分子名称: 1,1'-{hexa-2,4-diyne-1,6-diylbis[oxy{(2S,3R)-2-[(N-methyl-L-alanyl)amino]-1-oxobutane-3,1-diyl}(2S)pyrrolidine-1,2-diylmethanediyl]}bis[5-(phenylsulfanyl)-1H-tetrazole], Baculoviral IAP repeat-containing protein 4, ZINC ION
著者Cossu, F, Milani, M, Mastrangelo, E, Bolognesi, M.
登録日2009-02-09
公開日2009-05-12
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (3 Å)
主引用文献Structural basis for bivalent smac-mimetics recognition in the IAP protein family
J.Mol.Biol., 392, 2009
3GJF
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Rational development of high-affinity T-cell receptor-like antibodies
分子名称: Antibody heavy chain, Antibody light chain, Beta-2-microglobulin, ...
著者Stewart-Jones, G, Wadle, A, Hombach, A, Shenderov, E, Held, G, Fischer, E, Kleber, S, Stenner-Liewen, F, Bauer, S, McMichael, A, Knuth, A, Abken, H, Hombach, A.A, Cerundolo, V, Jones, E.Y, Renner, C.
登録日2009-03-08
公開日2009-04-28
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Rational development of high-affinity T-cell receptor-like antibodies
Proc.Natl.Acad.Sci.USA, 106, 2009
3FZS
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Crystal Structure of PYK2 complexed with BIRB796
分子名称: 1-(5-TERT-BUTYL-2-P-TOLYL-2H-PYRAZOL-3-YL)-3-[4-(2-MORPHOLIN-4-YL-ETHOXY)-NAPHTHALEN-1-YL]-UREA, Protein tyrosine kinase 2 beta
著者Han, S.
登録日2009-01-26
公開日2009-03-31
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (1.75 Å)
主引用文献Structural characterization of proline-rich tyrosine kinase 2 (PYK2) reveals a unique (DFG-out) conformation and enables inhibitor design.
J.Biol.Chem., 284, 2009
3G8I
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BU of 3g8i by Molmil
Aleglitazar, a new, potent, and balanced PPAR alpha/gamma agonist for the treatment of type II diabetes
分子名称: (2S)-2-methoxy-3-{4-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]-1-benzothiophen-7-yl}propanoic acid, Nuclear receptor coactivator 1, Peroxisome proliferator-activated receptor alpha
著者Benz, J, Bernardeau, A, Binggeli, A, Blum, D, Boehringer, M, Grether, U, Hilpert, H, Kuhn, B, Maerki, H.P, Meyer, M, Puentener, K, Raab, S, Ruf, A, Schlatter, D, Gsell, B, Stihle, M, Mohr, P.
登録日2009-02-12
公開日2009-06-02
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Aleglitazar, a new, potent, and balanced dual PPARalpha/gamma agonist for the treatment of type II diabetes.
Bioorg.Med.Chem.Lett., 19, 2009
3DBH
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BU of 3dbh by Molmil
Structural Dissection of a Gating Mechanism Preventing Misactivation of Ubiquitin by NEDD8's E1 (APPBP1-UBA3Arg190Ala-NEDD8Ala72Arg)
分子名称: NEDD8, NEDD8-activating enzyme E1 catalytic subunit, NEDD8-activating enzyme E1 regulatory subunit, ...
著者Souphron, J, Schulman, B.A.
登録日2008-05-31
公開日2008-08-12
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (2.85 Å)
主引用文献Structural dissection of a gating mechanism preventing misactivation of ubiquitin by NEDD8's E1.
Biochemistry, 47, 2008
3DOE
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BU of 3doe by Molmil
Complex of ARL2 and BART, Crystal Form 1
分子名称: ADP-ribosylation factor-like protein 2, ADP-ribosylation factor-like protein 2-binding protein, GUANOSINE-5'-TRIPHOSPHATE, ...
著者Zhang, T, Li, S, Ding, J.
登録日2008-07-04
公開日2009-03-03
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (2.25 Å)
主引用文献Crystal structure of the ARL2-GTP-BART complex reveals a novel recognition and binding mode of small GTPase with effector
Structure, 17, 2009
3DVC
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BU of 3dvc by Molmil
X-ray crystal structure of mutant N62T of human Carbonic Anhydrase II
分子名称: Carbonic anhydrase 2, ZINC ION
著者Avvaru, B.S.
登録日2008-07-18
公開日2008-11-11
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Role of hydrophilic residues in proton transfer during catalysis by human carbonic anhydrase II.
Biochemistry, 47, 2008
3DAL
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BU of 3dal by Molmil
Methyltransferase domain of human PR domain-containing protein 1
分子名称: PR domain zinc finger protein 1
著者Amaya, M.F, Zeng, H, Antoshenko, T, Dong, A, Loppnau, P, Bountra, C, Weigelt, J, Arrowsmith, C.H, Edwards, A.M, Bochkarev, A, Min, J, Plotnikov, A.N, Wu, H, Structural Genomics Consortium (SGC)
登録日2008-05-29
公開日2008-08-12
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (1.65 Å)
主引用文献The crystal structure of methyltransferase domain of human PR domain-containing protein 1
To be Published
3DWJ
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Heme-proximal W188H mutant of inducible nitric oxide synthase
分子名称: 5,6,7,8-TETRAHYDROBIOPTERIN, AMMONIUM ION, Nitric oxide synthase, ...
著者Tejero, J, Biswas, A, Wang, Z.-Q, Haque, M.M, Hemann, C, Zweier, J.L, Page, R.C, Misra, S, Stuehr, D.J.
登録日2008-07-22
公開日2008-09-30
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (2.75 Å)
主引用文献Stabilization and Characterization of a Heme-Oxy Reaction Intermediate in Inducible Nitric-oxide Synthase
J.Biol.Chem., 283, 2008
3DAY
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Crystal structure of human acyl-CoA synthetase medium-chain family member 2A (L64P mutation) in complex with AMP-CPP
分子名称: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Acyl-coenzyme A synthetase ACSM2A, mitochondrial precursor, ...
著者Pilka, E.S, Kochan, G.T, Yue, W.W, Bhatia, C, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Wikstrom, M, Bountra, C, Oppermann, U, Structural Genomics Consortium (SGC)
登録日2008-05-30
公開日2008-07-15
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献Structural snapshots for the conformation-dependent catalysis by human medium-chain acyl-coenzyme A synthetase ACSM2A.
J.Mol.Biol., 388, 2009
3DBP
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Crystal Structure of Human Orotidine 5'-Monophosphate Decarboxylase Complexed with 6-NH2-UMP
分子名称: 6-AMINOURIDINE 5'-MONOPHOSPHATE, Orotidine 5'-phosphate decarboxylase, SULFATE ION
著者Liu, Y, To, T, Bello, A.M, Kotra, L.P, Pai, E.F.
登録日2008-06-02
公開日2009-06-23
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Crystal Structure of Human Orotidine 5'-Monophosphate Decarboxylase Complexed with 6-NH2-UMP
To be Published
3DC3
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Use of Carbonic Anhydrase II, IX Active-Site Mimic, for the Purpose of Screening Inhibitors for Possible Anti-Cancer Properties
分子名称: 5-ACETAMIDO-1,3,4-THIADIAZOLE-2-SULFONAMIDE, Carbonic anhydrase 2, ZINC ION
著者Genis, C, Sippel, K.H, Case, N, Govindasamy, L, Agbandje-Mckenna, M, Mckenna, R.
登録日2008-06-03
公開日2009-03-03
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Design of a carbonic anhydrase IX active-site mimic to screen inhibitors for possible anticancer properties
Biochemistry, 48, 2009
3DAX
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Crystal structure of human CYP7A1
分子名称: Cytochrome P450 7A1, PROTOPORPHYRIN IX CONTAINING FE, UNKNOWN ATOM OR ION
著者Strushkevich, N.V, Tempel, W, Dombrovski, L, Dong, A, Loppnau, P, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Wilkstrom, M, Bochkarev, A, Park, H, Structural Genomics Consortium (SGC)
登録日2008-05-30
公開日2008-08-05
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (2.15 Å)
主引用文献Crystal structure of human CYP7A1
To be Published
3DBQ
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Crystal structure of TTK kinase domain
分子名称: Dual specificity protein kinase TTK
著者Wang, W, Yang, Y.T, Gao, Y.F, Zhu, S.C, Wang, F, Old, W, Xu, Q.B, Resing, K, Ahn, N, Lei, M, Liu, X.D.
登録日2008-06-02
公開日2009-02-10
最終更新日2011-07-13
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献Structural and Mechanistic Insights into Mps1 Kinase Activation
J.CELL.MOL.MED., 13, 2008
3DBZ
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human surfactant protein D
分子名称: (4S)-2-METHYL-2,4-PENTANEDIOL, CALCIUM ION, Pulmonary surfactant-associated protein D
著者Head, J.F.
登録日2008-06-02
公開日2008-08-05
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Interaction of recombinant surfactant protein D with lipopolysaccharide: conformation and orientation of bound protein by IRRAS and simulations.
Biochemistry, 47, 2008
3DC9
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Use of Carbonic Anhydrase II, IX Active-Site Mimic, for the Purpose of Screening Inhibitors for Possible Anti-Cancer Properties
分子名称: Carbonic anhydrase 2, ZINC ION
著者Genis, C, Sippel, K.H, Case, N, Govindasamy, L, Agbandje-Mckenna, M, Mckenna, R.
登録日2008-06-03
公開日2009-03-03
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Design of a carbonic anhydrase IX active-site mimic to screen inhibitors for possible anticancer properties
Biochemistry, 48, 2009
3DDP
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Structure of phosphorylated Thr160 CDK2/cyclin A in complex with the inhibitor CR8
分子名称: (2R)-2-({9-(1-methylethyl)-6-[(4-pyridin-2-ylbenzyl)amino]-9H-purin-2-yl}amino)butan-1-ol, Cell division protein kinase 2, Cyclin-A2
著者Echalier, A, Endicott, J.A.
登録日2008-06-06
公開日2008-07-22
最終更新日2011-07-13
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献CR8, a potent and selective, roscovitine-derived inhibitor of cyclin-dependent kinases.
Oncogene, 27, 2008
3GCP
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Human P38 MAP Kinase in Complex with SB203580
分子名称: 4-[5-(4-FLUORO-PHENYL)-2-(4-METHANESULFINYL-PHENYL)-3H-IMIDAZOL-4-YL]-PYRIDINE, Mitogen-activated protein kinase 14, octyl beta-D-glucopyranoside
著者Gruetter, C, Simard, J.R, Rauh, D.
登録日2009-02-22
公開日2009-06-09
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (2.25 Å)
主引用文献Development of a fluorescent-tagged kinase assay system for the detection and characterization of allosteric kinase inhibitors.
J.Am.Chem.Soc., 131, 2009

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