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2MMC
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BU of 2mmc by Molmil
Nucleotide-free human ran gtpase
分子名称: GTP-binding nuclear protein Ran
著者Bacot-Davis, V.R, Palmenberg, A.C.
登録日2014-03-13
公開日2014-10-22
最終更新日2024-05-01
実験手法SOLUTION NMR
主引用文献Nuclear Magnetic Resonance Structure of Ran GTPase Determines C-terminal Tail Conformational Dynamics.
To be Published
3MXY
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BU of 3mxy by Molmil
Structures of Grb2-SH2 Domain and AICD peptide Complexes Reveal a Conformational Switch and Their Functional Implications.
分子名称: AICD peptide E683V variant, Growth factor receptor-bound protein 2
著者Sen, U, Das, S.
登録日2010-05-08
公開日2011-05-11
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Functional Implications of the Conformational Switch in AICD Peptide upon Binding to Grb2-SH2 Domain.
J.Mol.Biol., 414, 2011
3MXD
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BU of 3mxd by Molmil
Crystal structure of HIV-1 protease inhibitor KC53 in complex with wild-type protease
分子名称: (5S)-N-{(1S,2R)-3-[(1,3-benzodioxol-5-ylsulfonyl)(2-methylpropyl)amino]-1-benzyl-2-hydroxypropyl}-3-(2-hydroxyphenyl)-2 -oxo-1,3-oxazolidine-5-carboxamide, ACETATE ION, HIV-1 protease, ...
著者Nalam, M.N.L, Schiffer, C.A.
登録日2010-05-07
公開日2010-11-10
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献Structure-Based Design, Synthesis, and Structure-Activity Relationship Studies of HIV-1 Protease Inhibitors Incorporating Phenyloxazolidinones.
J.Med.Chem., 53, 2010
3MVC
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BU of 3mvc by Molmil
High resolution crystal structure of the heme domain of GLB-6 from C. elegans
分子名称: Globin protein 6, NITRATE ION, PRASEODYMIUM ION, ...
著者Yoon, J, Herzik Jr, M.A, Winter, M.B, Tran, R, Olea Jr, C, Marletta, M.A.
登録日2010-05-03
公開日2010-06-16
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (1.401 Å)
主引用文献Structure and properties of a bis-histidyl ligated globin from Caenorhabditis elegans.
Biochemistry, 49, 2010
3MVM
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P38 Alpha Map Kinase complexed with pyrrolotriazine inhibitor 7V
分子名称: 4-{[5-(isoxazol-3-ylcarbamoyl)-2-methylphenyl]amino}-5-methyl-N-propylpyrrolo[2,1-f][1,2,4]triazine-6-carboxamide, Mitogen-activated protein kinase 14
著者Sack, J.S.
登録日2010-05-04
公開日2010-10-13
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Discovery of 4-(5-(Cyclopropylcarbamoyl)-2-Methylphenylamino)-5-Methyl-Npropylpyrrolo[1,2-F][1,2,4] Triazine-6-Carboxamide (Bms-582949), a Clinical P38? Map Kinase Inhibitor for the Treatment of Inflammatory Diseases
J.Med.Chem., 53, 2010
2M96
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BU of 2m96 by Molmil
Solution NMR structure of the RXFP2 LDLa module
分子名称: CALCIUM ION, Relaxin receptor 2
著者Petrie, E.J, Gooley, P.R, Bathgate, A.D.
登録日2013-06-03
公開日2014-06-04
実験手法SOLUTION NMR
主引用文献Solution NMR structure of the RXFP2 LDLa module
To be Published
3MVL
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BU of 3mvl by Molmil
P38 Alpha Map Kinase complexed with pyrrolotriazine inhibitor 7K
分子名称: 4-{[5-(cyclopropylcarbamoyl)-2-methylphenyl]amino}-5-methyl-N-propylpyrrolo[2,1-f][1,2,4]triazine-6-carboxamide, Mitogen-activated protein kinase 14
著者Sack, J.S.
登録日2010-05-04
公開日2010-10-13
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Discovery of 4-(5-(Cyclopropylcarbamoyl)-2-Methylphenylamino)-5-Methyl-Npropylpyrrolo[1,2-F][1,2,4] Triazine-6-Carboxamide (Bms-582949), a Clinical P38 Map Kinase Inhibitor for the Treatment of Inflammatory Diseases
J.Med.Chem., 53, 2010
3MW1
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BU of 3mw1 by Molmil
p38 kinase Crystal structure in complex with small molecule inhibitor
分子名称: 8-(2,6-dichlorophenyl)-4-(2,4-difluorophenyl)-2-piperidin-4-yl-1,7-naphthyridine 7-oxide, Mitogen-activated protein kinase 14
著者Segarra, V, Caturla, F, Lumeras, W, Roca, R, Fisher, M, Lamers, M.
登録日2010-05-05
公開日2011-04-27
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献1,7-Naphthyridine 1-Oxides as Novel Potent and Selective Inhibitors of p38 Mitogen Activated Protein Kinase
J.Med.Chem., 54, 2011
3MVR
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BU of 3mvr by Molmil
Crystal Structure of cytochrome P450 2B4-H226Y in a closed conformation
分子名称: 5-CYCLOHEXYL-1-PENTYL-BETA-D-MALTOSIDE, Cytochrome P450 2B4, PROTOPORPHYRIN IX CONTAINING FE
著者Shah, M.B, Stout, C.D, Halpert, J.R.
登録日2010-05-04
公開日2010-09-29
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (1.76 Å)
主引用文献Plasticity of Cytochrome P450 2B4 as Investigated by Hydrogen-Deuterium Exchange Mass Spectrometry and X-ray Crystallography.
J.Biol.Chem., 285, 2010
2MNG
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BU of 2mng by Molmil
Apo Structure of human HCN4 CNBD solved by NMR
分子名称: Potassium/sodium hyperpolarization-activated cyclic nucleotide-gated channel 4
著者Akimoto, M, Zhang, Z, Boulton, S, Selvaratnam, R, VanSchouwen, B, Gloyd, M, Accili, E.A, Lange, O.F, Melacini, G.
登録日2014-04-03
公開日2014-06-04
最終更新日2024-05-01
実験手法SOLUTION NMR
主引用文献A mechanism for the auto-inhibition of hyperpolarization-activated cyclic nucleotide-gated (HCN) channel opening and its relief by cAMP.
J.Biol.Chem., 289, 2014
3MWZ
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BU of 3mwz by Molmil
Crystal structure of the selenomethionine derivative of the L 22,47,100 M mutant of sialostatin L2
分子名称: SULFATE ION, sialostatin L2
著者Andersen, J.F.
登録日2010-05-06
公開日2010-07-14
最終更新日2011-07-13
実験手法X-RAY DIFFRACTION (1.52 Å)
主引用文献The crystal structures of two salivary cystatins from the tick Ixodes scapularis and the effect of these inhibitors on the establishment of Borrelia burgdorferi infection in a murine model.
Mol.Microbiol., 77, 2010
3MWS
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BU of 3mws by Molmil
Crystal Structure of Group N HIV-1 Protease
分子名称: (3R,3AS,6AR)-HEXAHYDROFURO[2,3-B]FURAN-3-YL(1S,2R)-3-[[(4-AMINOPHENYL)SULFONYL](ISOBUTYL)AMINO]-1-BENZYL-2-HYDROXYPROPYLCARBAMATE, CHLORIDE ION, HIV-1 Protease
著者Sayer, J.M, Agniswamy, J, Weber, I.T, Louis, J.M.
登録日2010-05-06
公開日2011-03-23
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (1.09 Å)
主引用文献Autocatalytic maturation, physical/chemical properties, and crystal structure of group N HIV-1 protease: relevance to drug resistance.
Protein Sci., 19, 2010
3MX8
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BU of 3mx8 by Molmil
Crystal structure of ribonuclease A tandem enzymes and their interaction with the cytosolic ribonuclease inhibitor
分子名称: CHLORIDE ION, Ribonuclease pancreatic, LINKER, ...
著者Leich, F, Neumann, P, Lilie, H, Ulbrich-Hofmann, R, Arnold, U.
登録日2010-05-07
公開日2011-02-09
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Crystal structure of RNase A tandem enzymes and their interaction with the cytosolic ribonuclease inhibitor
Febs J., 278, 2011
2LYZ
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BU of 2lyz by Molmil
Real-space refinement of the structure of hen egg-white lysozyme
分子名称: HEN EGG WHITE LYSOZYME
著者Diamond, R, Phillips, D.C, Blake, C.C.F, North, A.C.T.
登録日1975-02-01
公開日1977-04-12
最終更新日2017-11-29
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Real-space refinement of the structure of hen egg-white lysozyme.
J.Mol.Biol., 82, 1974
3MXH
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BU of 3mxh by Molmil
Native structure of a c-di-GMP riboswitch from V. cholerae
分子名称: 9,9'-[(2R,3R,3aS,5S,7aR,9R,10R,10aS,12S,14aR)-3,5,10,12-tetrahydroxy-5,12-dioxidooctahydro-2H,7H-difuro[3,2-d:3',2'-j][1,3,7,9,2,8]tetraoxadiphosphacyclododecine-2,9-diyl]bis(2-amino-1,9-dihydro-6H-purin-6-one), MAGNESIUM ION, U1 small nuclear ribonucleoprotein A, ...
著者Strobel, S.A, Smith, K.D.
登録日2010-05-07
公開日2010-08-25
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Structural and biochemical determinants of ligand binding by the c-di-GMP riboswitch .
Biochemistry, 49, 2010
3MYG
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Aurora A Kinase complexed with SCH 1473759
分子名称: 2-{ethyl[(5-{[6-methyl-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]amino}isothiazol-3-yl)methyl]amino}-2-methylpropan-1-ol, Serine/threonine-protein kinase 6, TETRAETHYLENE GLYCOL
著者Hruza, A, Prosis, W, Ramanathan, L.
登録日2010-05-10
公開日2010-07-21
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Discovery of a Potent, Injectable Inhibitor of Aurora Kinases Based on the Imidazo-[1,2-a]-Pyrazine Core.
ACS Med Chem Lett, 1, 2010
3MYN
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BU of 3myn by Molmil
Mutation of Methionine-86 in Dehaloperoxidase-hemoglobin: Effects of the Asp-His-Fe Triad in a 3/3 Globin
分子名称: CYANIDE ION, Dehaloperoxidase A, PROTOPORPHYRIN IX CONTAINING FE, ...
著者Bowden, E.F, de Serrano, V.S, D'Antonio, E.L, Franzen, S.
登録日2010-05-10
公開日2011-04-20
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.194 Å)
主引用文献Functional consequences of the creation of an Asp-His-Fe triad in a 3/3 globin.
Biochemistry, 50, 2011
3MTL
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BU of 3mtl by Molmil
Crystal structure of the PCTAIRE1 kinase in complex with Indirubin E804
分子名称: (2Z,3E)-2,3'-BIINDOLE-2',3(1H,1'H)-DIONE 3-{O-[(3R)-3,4-DIHYDROXYBUTYL]OXIME}, Cell division protein kinase 16
著者Krojer, T, Sharpe, T.D, Roos, A, Savitsky, P, Amos, A, Ayinampudi, V, Berridge, G, Fedorov, O, Keates, T, Phillips, C, Burgess-Brown, N, Zhang, Y, Pike, A.C.W, Muniz, J, Vollmar, M, Thangaratnarajah, C, Rellos, P, Ugochukwu, E, Filippakopoulos, P, Yue, W, Das, S, von Delft, F, Edwards, A, Arrowsmith, C.H, Weigelt, J, Bountra, C, Knapp, S, Bullock, A, Structural Genomics Consortium (SGC)
登録日2010-04-30
公開日2010-06-09
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Structure and inhibitor specificity of the PCTAIRE-family kinase CDK16.
Biochem.J., 474, 2017
2MY3
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Snu17p-Pml1p structure intermediate during RES complex assembly
分子名称: Pre-mRNA leakage protein 1, U2 snRNP component IST3
著者Wysoczanski, P, Becker, S, Zweckstetter, M.
登録日2015-01-19
公開日2015-08-12
最終更新日2024-05-15
実験手法SOLUTION NMR
主引用文献Structures of intermediates during RES complex assembly.
Sci Rep, 5, 2015
3MWQ
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Crystal structure of ribonuclease A tandem enzymes and their interaction with the cytosolic ribonuclease inhibitor
分子名称: GLYCEROL, Ribonuclease pancreatic, LINKER, ...
著者Neumann, P, Leich, F.
登録日2010-05-06
公開日2011-02-09
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (1.68 Å)
主引用文献Crystal structure of RNase A tandem enzymes and their interaction with the cytosolic ribonuclease inhibitor
Febs J., 278, 2011
3N3I
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BU of 3n3i by Molmil
Crystal Structure of G48V/C95F tethered HIV-1 Protease/Saquinavir complex
分子名称: (2S)-N-[(2S,3R)-4-[(2S,3S,4aS,8aS)-3-(tert-butylcarbamoyl)-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl]-3-hydroxy-1 -phenyl-butan-2-yl]-2-(quinolin-2-ylcarbonylamino)butanediamide, Protease
著者Prashar, V, Bihani, S.C, Das, A, Rao, D.R, Hosur, M.V.
登録日2010-05-20
公開日2010-06-09
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (2.501 Å)
主引用文献Insights into the mechanism of drug resistance: X-ray structure analysis of G48V/C95F tethered HIV-1 protease dimer/saquinavir complex
Biochem.Biophys.Res.Commun., 396, 2010
7C7J
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BU of 7c7j by Molmil
Crystal structure of SHANK3 SPN domain in complex with GTP-bound Rap1b(G12V,Q63E)
分子名称: CALCIUM ION, GUANOSINE-5'-TRIPHOSPHATE, MAGNESIUM ION, ...
著者Xiao, L.X, Pan, L.F.
登録日2020-05-25
公開日2021-05-05
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.39 Å)
主引用文献Mechanistic Insights into the Interactions of Ras Subfamily GTPases with the SPN Domain of Autism-associated SHANK3.
Chin.J.Chem., 38, 2020
3MU5
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Comparison of the character and the speed of X-ray-induced structural changes of porcine pancreatic elastase at two temperatures, 100 and 15K. The data set was collected from region B of the crystal. Third step of radiation damage
分子名称: Chymotrypsin-like elastase family member 1, SODIUM ION, SULFATE ION
著者Petrova, T, Ginell, S, Mitschler, A, Cousido-Siah, A, Hazemann, I, Podjarny, A, Joachimiak, A.
登録日2010-05-01
公開日2010-05-12
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (1.404 Å)
主引用文献X-ray-induced deterioration of disulfide bridges at atomic resolution.
Acta Crystallogr.,Sect.D, 66, 2010
2MP1
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Solution structure of the human chemokine CCL19
分子名称: C-C motif chemokine 19
著者Veldkamp, C.T, Peterson, F.C, Gabel-Eissens, S.J, Gillitzer, M.L.
登録日2014-05-09
公開日2015-06-10
最終更新日2023-06-14
実験手法SOLUTION NMR
主引用文献Solution Structure of CCL19 and Identification of Overlapping CCR7 and PSGL-1 Binding Sites.
Biochemistry, 54, 2015
3MUT
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Crystal Structure of the G20A/C92U mutant c-di-GMP riboswith bound to c-di-GMP
分子名称: 9,9'-[(2R,3R,3aS,5S,7aR,9R,10R,10aS,12S,14aR)-3,5,10,12-tetrahydroxy-5,12-dioxidooctahydro-2H,7H-difuro[3,2-d:3',2'-j][1,3,7,9,2,8]tetraoxadiphosphacyclododecine-2,9-diyl]bis(2-amino-1,9-dihydro-6H-purin-6-one), G20A/C92U mutant c-di-GMP riboswitch, MAGNESIUM ION, ...
著者Strobel, S.A, Smith, K.D.
登録日2010-05-03
公開日2010-08-25
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (3 Å)
主引用文献Structural and biochemical determinants of ligand binding by the c-di-GMP riboswitch .
Biochemistry, 49, 2010

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