4PYN
| Humanized rat COMT in complex with SAH | 分子名称: | CHLORIDE ION, Catechol O-methyltransferase, POTASSIUM ION, ... | 著者 | Ehler, A, Benz, J, Schlatter, D, Rudolph, M.G. | 登録日 | 2014-03-27 | 公開日 | 2014-06-11 | 最終更新日 | 2024-02-28 | 実験手法 | X-RAY DIFFRACTION (1.2 Å) | 主引用文献 | Mapping the conformational space accessible to catechol-O-methyltransferase. Acta Crystallogr.,Sect.D, 70, 2014
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3IW5
| Human p38 MAP Kinase in Complex with an Indole Derivative | 分子名称: | Mitogen-activated protein kinase 14, N-[2-(3-{[2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-2-oxoethyl]sulfanyl}-1H-indol-1-yl)ethyl]-3-(trifluoromethyl)benzamide, octyl beta-D-glucopyranoside | 著者 | Gruetter, C, Simard, J.R, Rauh, D. | 登録日 | 2009-09-02 | 公開日 | 2009-11-17 | 最終更新日 | 2023-11-01 | 実験手法 | X-RAY DIFFRACTION (2.5 Å) | 主引用文献 | High-Throughput Screening To Identify Inhibitors Which Stabilize Inactive Kinase Conformations in p38alpha J.Am.Chem.Soc., 131, 2009
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5U85
| Murine saposin-D (SapD), open conformation | 分子名称: | Saposin-D | 著者 | Gebai, A, Gorelik, A, Illes, K, Nagar, B. | 登録日 | 2016-12-13 | 公開日 | 2018-06-13 | 最終更新日 | 2019-05-22 | 実験手法 | X-RAY DIFFRACTION (1.65 Å) | 主引用文献 | Crystal structure of saposin D in an open conformation. J. Struct. Biol., 204, 2018
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1FE0
| CRYSTAL STRUCTURE OF CADMIUM-HAH1 | 分子名称: | CADMIUM ION, COPPER TRANSPORT PROTEIN ATOX1, SULFATE ION, ... | 著者 | Wernimont, A.K, Huffman, D.L, Lamb, A.L, O'Halloran, T.V, Rosenzweig, A.C. | 登録日 | 2000-07-20 | 公開日 | 2001-01-20 | 最終更新日 | 2024-02-07 | 実験手法 | X-RAY DIFFRACTION (1.75 Å) | 主引用文献 | Structural basis for copper transfer by the metallochaperone for the Menkes/Wilson disease proteins. Nat.Struct.Biol., 7, 2000
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4PYL
| Humanized rat COMT in complex with sinefungin, Mg2+, and tolcapone | 分子名称: | Catechol O-methyltransferase, MAGNESIUM ION, SINEFUNGIN, ... | 著者 | Ehler, A, Benz, J, Schlatter, D, Rudolph, M.G. | 登録日 | 2014-03-27 | 公開日 | 2014-06-18 | 最終更新日 | 2024-02-28 | 実験手法 | X-RAY DIFFRACTION (2.2 Å) | 主引用文献 | Mapping the conformational space accessible to catechol-O-methyltransferase. Acta Crystallogr.,Sect.D, 70, 2014
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4MRO
| Human GKRP bound to AMG-5980 and S6P | 分子名称: | 2-(4-{4-[(6-aminopyridin-3-yl)sulfonyl]piperazin-1-yl}phenyl)-1,1,1,3,3,3-hexafluoropropan-2-ol, D-SORBITOL-6-PHOSPHATE, GLYCEROL, ... | 著者 | St Jean, D.J, Ashton, K.S, Bartberger, M.D, Chen, J, Chmait, S, Cupples, R, Galbreath, E, Helmering, J, Jordan, S.R, Liu, L, Kunz, K, Michelsen, K, Nishimura, N, Pennington, L.D, Poon, S.F, Sivits, G, Stec, M.M, Tamayo, N, Van, G, Yang, K, Norman, M.H, Fotsch, C, LLoyd, D.J, Hale, C. | 登録日 | 2013-09-17 | 公開日 | 2014-05-07 | 最終更新日 | 2024-04-03 | 実験手法 | X-RAY DIFFRACTION (2.2 Å) | 主引用文献 | Small molecule disruptors of the glucokinase-glucokinase regulatory protein interaction: 2. Leveraging structure-based drug design to identify analogues with improved pharmacokinetic profiles. J.Med.Chem., 57, 2014
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3F8S
| Crystal structure of dipeptidyl peptidase IV in complex with inhibitor | 分子名称: | 2-(4-{(3S,5S)-5-[(3,3-difluoropyrrolidin-1-yl)carbonyl]pyrrolidin-3-yl}piperazin-1-yl)pyrimidine, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | 著者 | Ammirati, M.J, Liu, S, Piotrowski, D.W. | 登録日 | 2008-11-13 | 公開日 | 2009-06-23 | 最終更新日 | 2023-09-06 | 実験手法 | X-RAY DIFFRACTION (2.43 Å) | 主引用文献 | (3,3-Difluoro-pyrrolidin-1-yl)-[(2S,4S)-(4-(4-pyrimidin-2-yl-piperazin-1-yl)-pyrrolidin-2-yl]-methanone: a potent, selective, orally active dipeptidyl peptidase IV inhibitor. Bioorg.Med.Chem.Lett., 19, 2009
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4D6G
| Crystal structure of a family 98 glycoside hydrolase catalytic module (Sp3GH98) in complex with the blood group A-trisaccharide (L19 mutant) | 分子名称: | 1,2-ETHANEDIOL, GLYCOSIDE HYDROLASE, alpha-L-fucopyranose-(1-2)-[2-acetamido-2-deoxy-alpha-D-galactopyranose-(1-3)]alpha-D-galactopyranose | 著者 | Kwan, D.H, Constantinescu, I, Chapanian, R, Higgins, M.A, Samain, E, Boraston, A.B, Kizhakkedathu, J.N, Withers, S.G. | 登録日 | 2014-11-11 | 公開日 | 2014-11-26 | 最終更新日 | 2023-12-20 | 実験手法 | X-RAY DIFFRACTION (1.24 Å) | 主引用文献 | Towards Efficient Enzymes for the Generation of Universal Blood Through Structure-Guided Directed Evolution. J.Am.Chem.Soc., 137, 2015
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4D71
| Crystal structure of a family 98 glycoside hydrolase catalytic module (Sp3GH98) in complex with the type 2 blood group A-tetrasaccharide (E558A X02 mutant) | 分子名称: | 1,2-ETHANEDIOL, GLYCOSIDE HYDROLASE, SULFATE ION, ... | 著者 | Kwan, D.H, Constantinescu, I, Chapanian, R, Higgins, M.A, Samain, E, Boraston, A.B, Kizhakkedathu, J.N, Withers, S.G. | 登録日 | 2014-11-19 | 公開日 | 2015-01-21 | 最終更新日 | 2023-12-20 | 実験手法 | X-RAY DIFFRACTION (1.77 Å) | 主引用文献 | Towards Efficient Enzymes for the Generation of Universal Blood Through Structure-Guided Directed Evolution. J.Am.Chem.Soc., 137, 2015
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3WG1
| Crystal structure of Agrocybe cylindracea galectin with lactose | 分子名称: | Galactoside-binding lectin, beta-D-galactopyranose-(1-4)-beta-D-glucopyranose | 著者 | Kuwabara, N, Hu, D, Tateno, H, Makio, H, Hirabayashi, J, Kato, R. | 登録日 | 2013-07-25 | 公開日 | 2013-11-27 | 最終更新日 | 2023-11-08 | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | 主引用文献 | Conformational change of a unique sequence in a fungal galectin from Agrocybe cylindracea controls glycan ligand-binding specificity. Febs Lett., 587, 2013
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4D6J
| Crystal structure of a family 98 glycoside hydrolase catalytic module (Sp3GH98) in complex with the type 2 blood group A-tetrasaccharide (E558A X01 mutant) | 分子名称: | 1,2-ETHANEDIOL, GLYCOSIDE HYDROLASE, alpha-L-fucopyranose-(1-2)-[2-acetamido-2-deoxy-alpha-D-galactopyranose-(1-3)]beta-D-galactopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose | 著者 | Kwan, D.H, Constantinescu, I, Chapanian, R, Higgins, M.A, Samain, E, Boraston, A.B, Kizhakkedathu, J.N, Withers, S.G. | 登録日 | 2014-11-11 | 公開日 | 2014-11-26 | 最終更新日 | 2023-12-20 | 実験手法 | X-RAY DIFFRACTION (1.98 Å) | 主引用文献 | Towards Efficient Enzymes for the Generation of Universal Blood Through Structure-Guided Directed Evolution. J.Am.Chem.Soc., 137, 2015
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3IW8
| Structure of Inactive Human p38 MAP Kinase in Complex with a Thiazole-Urea | 分子名称: | 1-{4-[(1S)-1-amino-2-(benzyloxy)ethyl]-1,3-thiazol-2-yl}-3-(3-chloro-4-fluorophenyl)urea, Mitogen-activated protein kinase 14, octyl beta-D-glucopyranoside | 著者 | Gruetter, C, Simard, J.R, Rauh, D. | 登録日 | 2009-09-02 | 公開日 | 2009-11-17 | 最終更新日 | 2023-11-01 | 実験手法 | X-RAY DIFFRACTION (2 Å) | 主引用文献 | High-Throughput Screening To Identify Inhibitors Which Stabilize Inactive Kinase Conformations in p38alpha J.Am.Chem.Soc., 131, 2009
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4LQY
| Crystal Structure of Human ENPP4 with AMP | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ADENOSINE MONOPHOSPHATE, ... | 著者 | Albright, R.A, Braddock, D.T. | 登録日 | 2013-07-19 | 公開日 | 2013-12-18 | 最終更新日 | 2023-09-20 | 実験手法 | X-RAY DIFFRACTION (1.54 Å) | 主引用文献 | Molecular basis of purinergic signal metabolism by ectonucleotide pyrophosphatase/phosphodiesterases 4 and 1 and implications in stroke. J.Biol.Chem., 289, 2014
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7CFM
| Cryo-EM structure of the P395-bound GPBAR-Gs complex | 分子名称: | 2-(ethylamino)-6-[3-(4-propan-2-ylphenyl)propanoyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-4-carboxamide, CHOLESTEROL, G-protein coupled bile acid receptor 1, ... | 著者 | Yang, F, Mao, C, Guo, L, Lin, J, Ming, Q, Xiao, P, Wu, X, Shen, Q, Guo, S, Shen, D, Lu, R, Zhang, L, Huang, S, Ping, Y, Zhang, C, Ma, C, Zhang, K, Liang, X, Shen, Y, Nan, F, Yi, F, Luca, V, Zhou, J, Jiang, C, Sun, J, Xie, X, Yu, X, Zhang, Y. | 登録日 | 2020-06-27 | 公開日 | 2020-09-09 | 最終更新日 | 2020-12-02 | 実験手法 | ELECTRON MICROSCOPY (3 Å) | 主引用文献 | Structural basis of GPBAR activation and bile acid recognition. Nature, 587, 2020
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2VBF
| The holostructure of the branched-chain keto acid decarboxylase (KdcA) from Lactococcus lactis | 分子名称: | BRANCHED-CHAIN ALPHA-KETOACID DECARBOXYLASE, MAGNESIUM ION, THIAMINE DIPHOSPHATE | 著者 | Berthold, C.L, Gocke, D, Wood, M.D, Leeper, F, Pohl, M, Schneider, G. | 登録日 | 2007-09-12 | 公開日 | 2007-12-18 | 最終更新日 | 2023-12-13 | 実験手法 | X-RAY DIFFRACTION (1.6 Å) | 主引用文献 | Crystal Structure of the Branched-Chain Keto Acid Decarboxylase (Kdca) from Lactococcus Lactis Provides Insights Into the Structural Basis for the Chemo- and Enantioselective Carboligation Reaction Acta Crystallogr.,Sect.D, 63, 2007
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4PYK
| human COMT, double domain swap | 分子名称: | CHLORIDE ION, Catechol O-methyltransferase, MAGNESIUM ION, ... | 著者 | Ehler, A, Benz, J, Schlatter, D, Rudolph, M.G. | 登録日 | 2014-03-27 | 公開日 | 2014-06-11 | 最終更新日 | 2024-04-03 | 実験手法 | X-RAY DIFFRACTION (2.22 Å) | 主引用文献 | Mapping the conformational space accessible to catechol-O-methyltransferase. Acta Crystallogr.,Sect.D, 70, 2014
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1QQP
| FOOT-AND-MOUTH DISEASE VIRUS/ OLIGOSACCHARIDE RECEPTOR COMPLEX. | 分子名称: | 2-O-sulfo-alpha-L-gulopyranuronic acid-(1-4)-2-deoxy-6-O-sulfo-2-(sulfoamino)-alpha-D-glucopyranose-(1-4)-2-O-sulfo-alpha-L-idopyranuronic acid-(1-4)-2-deoxy-6-O-sulfo-2-(sulfoamino)-alpha-D-glucopyranose-(1-4)-2-O-sulfo-alpha-L-gulopyranuronic acid, PROTEIN (GENOME POLYPROTEIN) | 著者 | Fry, E.E, Lea, S.M, Jackson, T, Newman, J.W.I, Ellard, F.M, Blakemore, W.E, Abu-Ghazaleh, R, Samuel, A, King, A.M.Q, Stuart, D.I. | 登録日 | 1999-05-20 | 公開日 | 1999-06-18 | 最終更新日 | 2023-08-16 | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | 主引用文献 | The structure and function of a foot-and-mouth disease virus-oligosaccharide receptor complex. EMBO J., 18, 1999
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3IBD
| Crystal structure of a cytochrome P450 2B6 genetic variant in complex with the inhibitor 4-(4-chlorophenyl)imidazole | 分子名称: | 4-(4-CHLOROPHENYL)IMIDAZOLE, 5-CYCLOHEXYL-1-PENTYL-BETA-D-MALTOSIDE, Cytochrome P450 2B6, ... | 著者 | Gay, S.C, Sun, L, Talakad, J.C, Shah, M.B, Stout, D.C, Halpert, J.R. | 登録日 | 2009-07-15 | 公開日 | 2010-01-19 | 最終更新日 | 2023-09-06 | 実験手法 | X-RAY DIFFRACTION (2 Å) | 主引用文献 | Crystal structure of a cytochrome P450 2B6 genetic variant in complex with the inhibitor 4-(4-chlorophenyl)imidazole at 2.0-A resolution. Mol.Pharmacol., 77, 2010
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4PYM
| humanized rat apo-COMT bound to sulphate | 分子名称: | Catechol O-methyltransferase, POTASSIUM ION, SULFATE ION | 著者 | Ehler, A, Benz, J, Schlatter, D, Rudolph, M.G. | 登録日 | 2014-03-27 | 公開日 | 2014-06-11 | 最終更新日 | 2024-02-28 | 実験手法 | X-RAY DIFFRACTION (1.19 Å) | 主引用文献 | Mapping the conformational space accessible to catechol-O-methyltransferase. Acta Crystallogr.,Sect.D, 70, 2014
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4L92
| Structure of the RBP from lactococcal phage 1358 in complex with 2 GlcNAc molecules | 分子名称: | 2-acetamido-2-deoxy-alpha-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose, Receptor Binding Protein, ... | 著者 | Farenc, C, Spinelli, S, Bebeacua, C, Tremblay, D, Orlov, I, Blangy, S, Klaholz, B.P, Moineau, S, Cambillau, C. | 登録日 | 2013-06-18 | 公開日 | 2014-04-30 | 最終更新日 | 2023-09-20 | 実験手法 | X-RAY DIFFRACTION (2.1 Å) | 主引用文献 | A Virulent Siphophage CyoEM Structure and Host Recognition and Infection Mechanism To be Published
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5UHO
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4LFH
| Crystal Structure of 9C2 TCR | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 9C2 TCR delta chain, 9C2 TCR gamma chain, ... | 著者 | Uldrich, A.P, Le Nours, J, Pellicci, D.G, Gras, S, Rossjohn, J, Godfrey, D.I. | 登録日 | 2013-06-26 | 公開日 | 2013-10-02 | 最終更新日 | 2023-09-20 | 実験手法 | X-RAY DIFFRACTION (2.3 Å) | 主引用文献 | CD1d-lipid antigen recognition by the gamma delta TCR. Nat.Immunol., 14, 2013
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5UHL
| Crystal structure of the core catalytic domain of human O-GlcNAcase complexed with Thiamet G | 分子名称: | (2Z,3aR,5R,6S,7R,7aR)-2-(ethylimino)-5-(hydroxymethyl)hexahydro-3aH-pyrano[3,2-d][1,3]thiazole-6,7-diol, O-GlcNAcase TIM-barrel domain, O-GlcNAcase stalk domain | 著者 | Klein, D.J, Elsen, N.L. | 登録日 | 2017-01-11 | 公開日 | 2017-03-29 | 最終更新日 | 2024-03-06 | 実験手法 | X-RAY DIFFRACTION (3.14 Å) | 主引用文献 | Crystal structure of the core catalytic domain of human O-GlcNAcase and molecular basis of activity and inhibition To Be Published
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5ZZ1
| Probing the active center of catalase-phenol oxidase from Scytalidium thermophilum | 分子名称: | 3-AMINO-1,2,4-TRIAZOLE, CALCIUM ION, CIS-HEME D HYDROXYCHLORIN GAMMA-SPIROLACTONE, ... | 著者 | Yuzugullu Karakus, Y, Trinh, C.H, Pearson, A.R, Ogel, Z.B, McPherson, M.J. | 登録日 | 2018-05-29 | 公開日 | 2019-05-29 | 最終更新日 | 2023-11-22 | 実験手法 | X-RAY DIFFRACTION (1.91 Å) | 主引用文献 | Identification of the site of oxidase substrate binding in Scytalidium thermophilum catalase. Acta Crystallogr D Struct Biol, 74, 2018
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1GC1
| HIV-1 GP120 CORE COMPLEXED WITH CD4 AND A NEUTRALIZING HUMAN ANTIBODY | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, ANTIBODY 17B, CD4, ... | 著者 | Kwong, P.D, Wyatt, R, Robinson, J, Sweet, R.W, Sodroski, J, Hendrickson, W.A. | 登録日 | 1998-06-15 | 公開日 | 1998-07-08 | 最終更新日 | 2023-08-09 | 実験手法 | X-RAY DIFFRACTION (2.5 Å) | 主引用文献 | Structure of an HIV gp120 envelope glycoprotein in complex with the CD4 receptor and a neutralizing human antibody. Nature, 393, 1998
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