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5SHI
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BU of 5shi by Molmil
Crystal Structure of human phosphodiesterase 10 in complex with 2,3,5-trimethyl-6-[2-(1-methyl-4-phenylimidazol-2-yl)ethyl]imidazo[1,2-a]pyridine
分子名称: (4R)-2,3,5-trimethyl-6-[2-(1-methyl-4-phenyl-1H-imidazol-2-yl)ethyl]imidazo[1,2-a]pyridine, MAGNESIUM ION, ZINC ION, ...
著者Joseph, C, Benz, J, Flohr, A, Groebke-Zbinden, K, Rudolph, M.G.
登録日2022-02-01
公開日2022-10-12
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Crystal Structure of a human phosphodiesterase 10 complex
To be published
5SI3
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BU of 5si3 by Molmil
Crystal Structure of human phosphodiesterase 10 in complex with 1-methyl-5-[(2-phenylimidazo[1,2-a]pyrimidin-7-yl)carbamoyl]pyrazole-4-carboxylic acid
分子名称: 1-methyl-5-{[(4R)-2-phenylimidazo[1,2-a]pyrimidin-7-yl]carbamoyl}-1H-pyrazole-4-carboxylic acid, MAGNESIUM ION, ZINC ION, ...
著者Joseph, C, Benz, J, Flohr, A, Peters, J, Rudolph, M.G.
登録日2022-02-01
公開日2022-10-12
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Crystal Structure of a human phosphodiesterase 10 complex
To be published
5SJC
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BU of 5sjc by Molmil
Crystal Structure of human phosphodiesterase 10 in complex with 4-chloro-2,5-dimethyl-N-(2-phenylimidazo[1,2-a]pyrimidin-7-yl)pyrazole-3-carboxamide
分子名称: 4-chloro-1,3-dimethyl-N-[(4R)-2-phenylimidazo[1,2-a]pyrimidin-7-yl]-1H-pyrazole-5-carboxamide, MAGNESIUM ION, ZINC ION, ...
著者Joseph, C, Benz, J, Flohr, A, Peters, J, Rudolph, M.G.
登録日2022-02-01
公開日2022-10-12
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (2.08 Å)
主引用文献Crystal Structure of a human phosphodiesterase 10 complex
To be published
5SJY
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BU of 5sjy by Molmil
Crystal Structure of human phosphodiesterase 10 in complex with 4-bromo-2,5-dimethyl-N-(2-phenylimidazo[1,2-a]pyrimidin-7-yl)pyrazole-3-carboxamide
分子名称: 4-bromo-1,3-dimethyl-N-[(4R)-2-phenylimidazo[1,2-a]pyrimidin-7-yl]-1H-pyrazole-5-carboxamide, MAGNESIUM ION, ZINC ION, ...
著者Joseph, C, Benz, J, Flohr, A, Peters, J, Rudolph, M.G.
登録日2022-02-01
公開日2022-10-12
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Crystal Structure of a human phosphodiesterase 10 complex
To be published
5SKG
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BU of 5skg by Molmil
Crystal Structure of human phosphodiesterase 10 in complex with 2-chloro-6-(cyclopropylamino)-N-(2-phenyl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)pyridine-4-carboxamide
分子名称: 2-chloro-6-(cyclopropylamino)-N-[(4S)-2-phenyl[1,2,4]triazolo[1,5-a]pyridin-7-yl]pyridine-4-carboxamide, MAGNESIUM ION, ZINC ION, ...
著者Joseph, C, Benz, J, Flohr, A, Groebke-Zbinden, K, Rudolph, M.G.
登録日2022-02-01
公開日2022-10-12
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (2.03 Å)
主引用文献Crystal Structure of a human phosphodiesterase 10 complex
To be published
5SIX
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BU of 5six by Molmil
Crystal Structure of human phosphodiesterase 10 in complex with 5-[(3R)-3-fluoropyrrolidin-1-yl]-2-(3-methylquinoxalin-2-yl)-N-(oxan-4-yl)pyrazolo[1,5-a]pyrimidin-7-amine
分子名称: (8S)-5-[(3S)-3-fluoropyrrolidin-1-yl]-2-(3-methylquinoxalin-2-yl)-N-(oxan-4-yl)pyrazolo[1,5-a]pyrimidin-7-amine, MAGNESIUM ION, ZINC ION, ...
著者Joseph, C, Benz, J, Flohr, A, Gobbi, L, Rudolph, M.G.
登録日2022-02-01
公開日2022-10-12
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (2.29 Å)
主引用文献Crystal Structure of a human phosphodiesterase 10 complex
To be published
5SJ2
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BU of 5sj2 by Molmil
Crystal Structure of human phosphodiesterase 10 in complex with 2,3-dichloro-N-(2-phenyl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)pyridine-4-carboxamide
分子名称: 2,3-dichloro-N-[(4S)-2-phenyl[1,2,4]triazolo[1,5-a]pyridin-7-yl]pyridine-4-carboxamide, MAGNESIUM ION, ZINC ION, ...
著者Joseph, C, Benz, J, Flohr, A, Groebke-Zbinden, K, Rudolph, M.G.
登録日2022-02-01
公開日2022-10-12
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (1.99 Å)
主引用文献Crystal Structure of a human phosphodiesterase 10 complex
To be published
5SIR
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BU of 5sir by Molmil
Crystal Structure of human phosphodiesterase 10 in complex with 3,6-dimethyl-N-(2-phenylimidazo[1,2-a]pyrimidin-7-yl)pyridine-2-carboxamide
分子名称: 3,6-dimethyl-N-[(4R)-2-phenylimidazo[1,2-a]pyrimidin-7-yl]pyridine-2-carboxamide, MAGNESIUM ION, ZINC ION, ...
著者Joseph, C, Benz, J, Flohr, A, Rudolph, M.G.
登録日2022-02-01
公開日2022-10-12
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Crystal Structure of a human phosphodiesterase 10 complex
To be published
5SJZ
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BU of 5sjz by Molmil
Crystal Structure of human phosphodiesterase 10 in complex with 2-methyl-4-(morpholine-4-carbonyl)-N-(2-pyrrolidin-1-yl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)pyrazole-3-carboxamide
分子名称: 1-methyl-4-(morpholine-4-carbonyl)-N-[(4S)-2-(pyrrolidin-1-yl)[1,2,4]triazolo[1,5-a]pyridin-7-yl]-1H-pyrazole-5-carboxamide, MAGNESIUM ION, ZINC ION, ...
著者Joseph, C, Benz, J, Flohr, A, Rudolph, M.G.
登録日2022-02-01
公開日2022-10-12
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (2.19 Å)
主引用文献Crystal Structure of a human phosphodiesterase 10 complex
To be published
5SKL
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BU of 5skl by Molmil
Crystal Structure of human phosphodiesterase 10 in complex with N-(6-cyano-2-phenylimidazo[1,2-a]pyridin-7-yl)-2-methyl-4-(morpholine-4-carbonyl)pyrazole-3-carboxamide
分子名称: MAGNESIUM ION, N-[(4R)-6-cyano-2-phenylimidazo[1,2-a]pyridin-7-yl]-1-methyl-4-(morpholine-4-carbonyl)-1H-pyrazole-5-carboxamide, ZINC ION, ...
著者Joseph, C, Benz, J, Flohr, A, Peters, J, Rudolph, M.G.
登録日2022-02-01
公開日2022-10-12
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Crystal Structure of a human phosphodiesterase 10 complex
To be published
5SI1
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BU of 5si1 by Molmil
Crystal Structure of human phosphodiesterase 10 in complex with 2-methyl-4-(morpholine-4-carbonyl)-N-(2-phenylimidazo[1,2-a]pyridin-7-yl)pyrazole-3-carboxamide, space group I23
分子名称: 1-methyl-4-(morpholine-4-carbonyl)-N-[(4R)-2-phenylimidazo[1,2-a]pyridin-7-yl]-1H-pyrazole-5-carboxamide, MAGNESIUM ION, ZINC ION, ...
著者Joseph, C, Benz, J, Flohr, A, Peters, J, Rudolph, M.G.
登録日2022-02-01
公開日2022-10-12
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (1.75 Å)
主引用文献Crystal Structure of a human phosphodiesterase 10 complex
To be published
5SIO
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BU of 5sio by Molmil
Crystal Structure of human phosphodiesterase 10 in complex with 2-methyl-4-(2-methylpyrrolidine-1-carbonyl)-N-(2-phenylimidazo[1,2-a]pyridin-7-yl)pyrazole-3-carboxamide
分子名称: 1-methyl-4-[(2R)-2-methylpyrrolidine-1-carbonyl]-N-[(4R)-2-phenylimidazo[1,2-a]pyridin-7-yl]-1H-pyrazole-5-carboxamide, CHLORIDE ION, MAGNESIUM ION, ...
著者Joseph, C, Benz, J, Flohr, A, Peters, J, Rudolph, M.G.
登録日2022-02-01
公開日2022-10-12
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Crystal Structure of a human phosphodiesterase 10 complex
To be published
3NS9
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BU of 3ns9 by Molmil
Crystal structure of CDK2 in complex with inhibitor BS-194
分子名称: (2S,3S)-3-{[7-(benzylamino)-3-(1-methylethyl)pyrazolo[1,5-a]pyrimidin-5-yl]amino}butane-1,2,4-triol, Cell division protein kinase 2
著者Hazel, P, Freemont, P.S.
登録日2010-07-01
公開日2010-12-08
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (1.78 Å)
主引用文献A Novel Pyrazolo[1,5-a]pyrimidine Is a Potent Inhibitor of Cyclin-Dependent Protein Kinases 1, 2, and 9, Which Demonstrates Antitumor Effects in Human Tumor Xenografts Following Oral Administration.
J.Med.Chem., 53, 2010
3FKU
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BU of 3fku by Molmil
Crystal structure of influenza hemagglutinin (H5) in complex with a broadly neutralizing antibody F10
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Hemagglutinin, Neutralizing antibody F10, ...
著者Hwang, W.C, Santelli, E, Stec, B, Wei, G, Cadwell, G, Bankston, L.A, Sui, J, Perez, S, Aird, D, Chen, L.M, Ali, M, Murakami, A, Yammanuru, A, Han, T, Cox, N, Donis, R.O, Liddington, R.C, Marasco, W.A.
登録日2008-12-17
公開日2009-02-24
最終更新日2020-07-29
実験手法X-RAY DIFFRACTION (3.2 Å)
主引用文献Structural and functional bases for broad-spectrum neutralization of avian and human influenza A viruses.
Nat.Struct.Mol.Biol., 16, 2009
4EJ5
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BU of 4ej5 by Molmil
Crystal structure of the catalytic domain of botulinum neurotoxin BoNT/A wild-type
分子名称: 1,2-ETHANEDIOL, Botulinum neurotoxin A light chain, CARBONATE ION, ...
著者Stura, E.A, Vera, L, Dive, V.
登録日2012-04-06
公開日2012-08-15
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.87 Å)
主引用文献Structural Framework for Covalent Inhibition of Clostridium botulinum Neurotoxin A by Targeting Cys165.
J.Biol.Chem., 287, 2012
1P8D
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BU of 1p8d by Molmil
X-Ray Crystal Structure of LXR Ligand Binding Domain with 24(S),25-epoxycholesterol
分子名称: 17-[3-(3,3-DIMETHYL-OXIRANYL)-1-METHYL-PROPYL]-10,13-DIMETHYL-2,3,4,7,8,9,10,11,12,13,14,15,16,17-TETRADECAHYDRO-1H-CYC LOPENTA[A]PHENANTHREN-3-OL, Oxysterols receptor LXR-beta, nuclear receptor coactivator 1 isoform 3
著者Williams, S, Bledsoe, R.K, Collins, J.L, Boggs, S, Lambert, M.H, Miller, A.B, Moore, J, McKee, D.D, Moore, L, Nichols, J, Parks, D, Watson, M, Wisely, B, Willson, T.M.
登録日2003-05-06
公開日2003-07-08
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献X-ray crystal structure of the liver X receptor beta ligand binding domain: regulation by a histidine-tryptophan switch.
J.Biol.Chem., 278, 2003
4EU4
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BU of 4eu4 by Molmil
Succinyl-CoA: acetate CoA-transferase (AarCH6) in complex with CoA (hexagonal lattice)
分子名称: CHLORIDE ION, COENZYME A, SULFATE ION, ...
著者Mullins, E.A, Kappock, T.J.
登録日2012-04-25
公開日2012-10-10
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.802 Å)
主引用文献Crystal Structures of Acetobacter aceti Succinyl-Coenzyme A (CoA):Acetate CoA-Transferase Reveal Specificity Determinants and Illustrate the Mechanism Used by Class I CoA-Transferases.
Biochemistry, 51, 2012
3OYZ
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BU of 3oyz by Molmil
Haloferax volcanii Malate Synthase Pyruvate/Acetyl-CoA Ternary Complex
分子名称: ACETYL COENZYME *A, CHLORIDE ION, MAGNESIUM ION, ...
著者Howard, B.R, Bracken, C, Neighbor, A, Thomas, G, Lamlenn, K.K, Schubert, H.L, Whitby, F.G.
登録日2010-09-24
公開日2011-06-01
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献Crystal structures of a halophilic archaeal malate synthase from Haloferax volcanii and comparisons with isoforms A and G.
Bmc Struct.Biol., 11, 2011
3PAK
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BU of 3pak by Molmil
Crystal Structure of Rat Surfactant Protein A neck and carbohydrate recognition domain (NCRD) complexed with Mannose
分子名称: CALCIUM ION, Pulmonary surfactant-associated protein A, SODIUM ION, ...
著者Shang, F, Rynkiewicz, M.J, McCormack, F.X, Wu, H, Cafarella, T.M, Head, J, Seaton, B.A.
登録日2010-10-19
公開日2010-11-03
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Crystallographic complexes of surfactant protein A and carbohydrates reveal ligand-induced conformational change.
J.Biol.Chem., 286, 2011
5UHR
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BU of 5uhr by Molmil
Crystal structure of (Cit)LANFLV heptapeptide segment from islet amyloid polypeptide (IAPP) incorporated into a macrocyclic beta-sheet template
分子名称: CHLORIDE ION, ORN-CIR-LEU-ALA-ASN-PHE-LEU-VAL-ORN-ILE-LYS-HAO-LYS-A8E
著者Wang, Y, Kreutzer, A.G, Nowick, J.S.
登録日2017-01-11
公開日2017-07-12
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (1.798 Å)
主引用文献A Tetramer Derived from Islet Amyloid Polypeptide.
J. Org. Chem., 82, 2017
3P3I
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BU of 3p3i by Molmil
Crystal structure of the F36A mutant of the fluoroacetyl-CoA-specific thioesterase FlK in complex with fluoroacetate and CoA
分子名称: COENZYME A, Fluoroacetyl coenzyme A thioesterase, fluoroacetic acid
著者Weeks, A.M, Coyle, S.M, Jinek, M, Doudna, J.A, Chang, M.C.Y.
登録日2010-10-04
公開日2010-10-20
最終更新日2011-11-16
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Structural and biochemical studies of a fluoroacetyl-CoA-specific thioesterase reveal a molecular basis for fluorine selectivity.
Biochemistry, 49, 2010
6IBP
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BU of 6ibp by Molmil
Structure of a psychrophilic CCA-adding enzyme at room temperature in ChipX microfluidic device
分子名称: CCA-adding enzyme
著者de Wijn, R, Hennig, O, Rollet, K, Bluhm, A, Betat, H, Moerl, M, Lorber, B, Sauter, C.
登録日2018-11-30
公開日2019-05-29
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (2.536 Å)
主引用文献A simple and versatile microfluidic device for efficient biomacromolecule crystallization and structural analysis by serial crystallography.
Iucrj, 6, 2019
5T5X
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BU of 5t5x by Molmil
High resolution structure of mouse Cryptochrome 1
分子名称: CHLORIDE ION, Cryptochrome-1
著者Michael, A.K, Tripathi, S, Partch, C.L.
登録日2016-08-31
公開日2017-02-08
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (1.84 Å)
主引用文献Formation of a repressive complex in the mammalian circadian clock is mediated by the secondary pocket of CRY1.
Proc. Natl. Acad. Sci. U.S.A., 114, 2017
4MYO
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BU of 4myo by Molmil
Crystal structure of streptogramin group A antibiotic acetyltransferase VatA from Staphylococcus aureus
分子名称: CHLORIDE ION, MAGNESIUM ION, SULFATE ION, ...
著者Stogios, P.J, Minasov, G, Dong, A, Evdokimova, E, Yim, V, Krishnamoorthy, M, Di Leo, R, Courvalin, P, Savchenko, A, Anderson, W.F, Center for Structural Genomics of Infectious Diseases (CSGID)
登録日2013-09-27
公開日2013-10-16
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2.696 Å)
主引用文献Potential for Reduction of Streptogramin A Resistance Revealed by Structural Analysis of Acetyltransferase VatA.
Antimicrob.Agents Chemother., 58, 2014
4J8M
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BU of 4j8m by Molmil
Aurora A in complex with CD532
分子名称: 1,2-ETHANEDIOL, 1-[4-[[4-[(5-cyclopentyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]phenyl]-3-[3-(trifluoromethyl)phenyl]urea, Aurora kinase A, ...
著者Meyerowitz, J.G, Gustafson, W.C, Shokat, K.M, Weiss, W.A.
登録日2013-02-14
公開日2014-09-10
最終更新日2017-11-15
実験手法X-RAY DIFFRACTION (1.853 Å)
主引用文献Drugging MYCN through an Allosteric Transition in Aurora Kinase A.
Cancer Cell, 26, 2014

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