3K3E
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![BU of 3k3e by Molmil](/molmil-images/mine/3k3e) | Crystal structure of the PDE9A catalytic domain in complex with (R)-BAY73-6691 | Descriptor: | 1-(2-chlorophenyl)-6-[(2R)-3,3,3-trifluoro-2-methylpropyl]-1,7-dihydro-4H-pyrazolo[3,4-d]pyrimidin-4-one, High affinity cGMP-specific 3',5'-cyclic phosphodiesterase 9A, MAGNESIUM ION, ... | Authors: | Wang, H, Luo, X, Ye, M, Hou, J, Robinson, H, Ke, H. | Deposit date: | 2009-10-02 | Release date: | 2010-02-16 | Last modified: | 2013-11-13 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | Insight into Binding of Phosphodiesterase-9A Selective Inhibitors by Crystal Structures and Mutagenesis J.Med.Chem., 53, 2010
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3K3H
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![BU of 3k3h by Molmil](/molmil-images/mine/3k3h) | Crystal structure of the PDE9A catalytic domain in complex with (S)-BAY73-6691 | Descriptor: | 1-(2-chlorophenyl)-6-[(2S)-3,3,3-trifluoro-2-methylpropyl]-1,7-dihydro-4H-pyrazolo[3,4-d]pyrimidin-4-one, High affinity cGMP-specific 3',5'-cyclic phosphodiesterase 9A, MAGNESIUM ION, ... | Authors: | Wang, H, Luo, X, Ye, M, Hou, J, Robinson, H, Ke, H. | Deposit date: | 2009-10-02 | Release date: | 2010-02-16 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Insight into Binding of Phosphodiesterase-9A Selective Inhibitors by Crystal Structures and Mutagenesis J.Med.Chem., 53, 2010
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5UYY
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![BU of 5uyy by Molmil](/molmil-images/mine/5uyy) | Crystal structure of prephenate dehydrogenase tyrA from Bacillus anthracis in complex with L-tyrosine | Descriptor: | Prephenate dehydrogenase, TYROSINE | Authors: | Shabalin, I.G, Hou, J, Cymborowski, M.T, Kwon, K, Christendat, D, Gritsunov, A.O, Anderson, W.F, Minor, W, Center for Structural Genomics of Infectious Diseases (CSGID) | Deposit date: | 2017-02-24 | Release date: | 2017-03-08 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | Structural and biochemical analysis of Bacillus anthracis prephenate dehydrogenase reveals an unusual mode of inhibition by tyrosine via the ACT domain. Febs J., 287, 2020
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4QY2
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![BU of 4qy2 by Molmil](/molmil-images/mine/4qy2) | Structure of H10 from human-infecting H10N8 virus in complex with human receptor analog | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, N-acetyl-alpha-neuraminic acid, hemagglutinin | Authors: | Wang, M, Zhang, W, Qi, J, Wang, F, Zhou, J, Bi, Y, Wu, Y, Sun, H, Liu, J, Huang, C, Li, X, Yan, J, Shu, Y, Shi, Y, Gao, G.F. | Deposit date: | 2014-07-23 | Release date: | 2015-01-28 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (2.399 Å) | Cite: | Structural basis for preferential avian receptor binding by the human-infecting H10N8 avian influenza virus Nat Commun, 6, 2015
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4QY1
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![BU of 4qy1 by Molmil](/molmil-images/mine/4qy1) | Structure of H10 from human-infecting H10N8 in complex with avian receptor | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, N-acetyl-alpha-neuraminic acid-(2-3)-beta-D-galactopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | Authors: | Wang, M, Zhang, W, Qi, J, Wang, F, Zhou, J, Bi, Y, Wu, Y, Sun, H, Liu, J, Huang, C, Li, X, Yan, J, Shu, Y, Shi, Y, Gao, G.F. | Deposit date: | 2014-07-23 | Release date: | 2015-01-28 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (2.594 Å) | Cite: | Structural basis for preferential avian receptor binding by the human-infecting H10N8 avian influenza virus Nat Commun, 6, 2015
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4I42
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![BU of 4i42 by Molmil](/molmil-images/mine/4i42) | E.coli. 1,4-dihydroxy-2-naphthoyl coenzyme A synthase (ecMenB) in complex with 1-hydroxy-2-naphthoyl-CoA | Descriptor: | 1,2-ETHANEDIOL, 1,4-Dihydroxy-2-naphthoyl-CoA synthase, 1-hydroxy-2-naphthoyl-CoA, ... | Authors: | Sun, Y, Song, H, Li, J, Li, Y, Jiang, M, Zhou, J, Guo, Z. | Deposit date: | 2012-11-27 | Release date: | 2013-05-08 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (1.848 Å) | Cite: | Structural basis of the induced-fit mechanism of 1,4-dihydroxy-2-naphthoyl coenzyme A synthase from the crotonase fold superfamily Plos One, 8, 2013
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2OUV
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![BU of 2ouv by Molmil](/molmil-images/mine/2ouv) | crystal structure of pde10a2 mutant of D564N | Descriptor: | MAGNESIUM ION, ZINC ION, cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A | Authors: | Wang, H.C, Liu, Y.D, Hou, J, Zheng, M.Y, Robinson, H. | Deposit date: | 2007-02-12 | Release date: | 2007-03-20 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (1.56 Å) | Cite: | From the Cover: Structural insight into substrate specificity of phosphodiesterase 10. Proc.Natl.Acad.Sci.Usa, 104, 2007
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2OUY
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![BU of 2ouy by Molmil](/molmil-images/mine/2ouy) | crystal structure of pde10a2 mutant D564A in complex with cAMP. | Descriptor: | ADENOSINE-3',5'-CYCLIC-MONOPHOSPHATE, MAGNESIUM ION, ZINC ION, ... | Authors: | Wang, H.C, Liu, Y.D, Hou, J, Zheng, M.Y, Robinson, H. | Deposit date: | 2007-02-12 | Release date: | 2007-03-20 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | From the Cover: Structural insight into substrate specificity of phosphodiesterase 10. Proc.Natl.Acad.Sci.Usa, 104, 2007
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2OUP
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![BU of 2oup by Molmil](/molmil-images/mine/2oup) | crystal structure of PDE10A | Descriptor: | MAGNESIUM ION, ZINC ION, cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A | Authors: | Wang, H.C, Liu, Y.D, Hou, J, Zheng, M.Y, Robinson, H. | Deposit date: | 2007-02-12 | Release date: | 2007-03-20 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (1.56 Å) | Cite: | From the Cover: Structural insight into substrate specificity of phosphodiesterase 10. Proc.Natl.Acad.Sci.Usa, 104, 2007
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2OUR
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![BU of 2our by Molmil](/molmil-images/mine/2our) | crystal structure of PDE10A2 mutant D674A in complex with cAMP | Descriptor: | ADENOSINE-3',5'-CYCLIC-MONOPHOSPHATE, MAGNESIUM ION, cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A | Authors: | Wang, H.C, Liu, Y.D, Hou, J, Zheng, M.Y, Robinson, H. | Deposit date: | 2007-02-12 | Release date: | 2007-03-20 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (1.45 Å) | Cite: | From the Cover: Structural insight into substrate specificity of phosphodiesterase 10. Proc.Natl.Acad.Sci.Usa, 104, 2007
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2OUN
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![BU of 2oun by Molmil](/molmil-images/mine/2oun) | crystal structure of PDE10A2 in complex with AMP | Descriptor: | ADENOSINE MONOPHOSPHATE, MAGNESIUM ION, ZINC ION, ... | Authors: | Wang, H.C, Liu, Y.D, Hou, J, Zheng, M.Y, Robinson, H, Ke, H.M. | Deposit date: | 2007-02-12 | Release date: | 2007-03-20 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (1.56 Å) | Cite: | From the Cover: Structural insight into substrate specificity of phosphodiesterase 10. Proc.Natl.Acad.Sci.Usa, 104, 2007
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2OUU
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![BU of 2ouu by Molmil](/molmil-images/mine/2ouu) | crystal structure of PDE10A2 mutant D674A in complex with cGMP | Descriptor: | GUANOSINE-3',5'-MONOPHOSPHATE, MAGNESIUM ION, cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A | Authors: | Wang, H.C, Liu, Y.D, Hou, J, Zheng, M.Y, Robinson, H. | Deposit date: | 2007-02-12 | Release date: | 2007-03-20 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (1.52 Å) | Cite: | From the Cover: Structural insight into substrate specificity of phosphodiesterase 10. Proc.Natl.Acad.Sci.Usa, 104, 2007
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2OUS
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![BU of 2ous by Molmil](/molmil-images/mine/2ous) | crystal structure of PDE10A2 mutant D674A | Descriptor: | MAGNESIUM ION, cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A | Authors: | Wang, H.C, Liu, Y.D, Hou, J, Zheng, M.Y, Robinson, H. | Deposit date: | 2007-02-12 | Release date: | 2007-03-20 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (1.45 Å) | Cite: | From the Cover: Structural insight into substrate specificity of phosphodiesterase 10. Proc.Natl.Acad.Sci.Usa, 104, 2007
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2OUQ
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![BU of 2ouq by Molmil](/molmil-images/mine/2ouq) | crystal structure of PDE10A2 in complex with GMP | Descriptor: | GUANOSINE-5'-MONOPHOSPHATE, MAGNESIUM ION, ZINC ION, ... | Authors: | Wang, H.C, Liu, Y.D, Hou, J, Zheng, M.Y, Robinson, H. | Deposit date: | 2007-02-12 | Release date: | 2007-03-20 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | From the Cover: Structural insight into substrate specificity of phosphodiesterase 10. Proc.Natl.Acad.Sci.Usa, 104, 2007
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6IX8
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![BU of 6ix8 by Molmil](/molmil-images/mine/6ix8) | The structure of LepI C52A in complex with SAM and its substrate analogue | Descriptor: | (1R,2R,4aS,8S,8aR)-2,8-dimethyl-5'-phenyl-4a,5,6,7,8,8a-hexahydro-2H,2'H-spiro[naphthalene-1,3'-pyridine]-2',4'(1'H)-dione, 1,2-ETHANEDIOL, ACETATE ION, ... | Authors: | Cai, Y, Ohashi, M, Hai, Y, Tang, Y, Zhou, J. | Deposit date: | 2018-12-09 | Release date: | 2019-07-17 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (1.659 Å) | Cite: | Structural basis for stereoselective dehydration and hydrogen-bonding catalysis by the SAM-dependent pericyclase LepI. Nat.Chem., 11, 2019
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6IX5
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![BU of 6ix5 by Molmil](/molmil-images/mine/6ix5) | The structure of LepI complex with SAM and its substrate analogue | Descriptor: | 1,2-ETHANEDIOL, 4-hydroxy-3-[(2S,6E,8E)-2-methyldeca-6,8-dienoyl]-5-phenylpyridin-2(1H)-one, CHLORIDE ION, ... | Authors: | Cai, Y, Ohashi, M, Hai, Y, Tang, Y, Zhou, J. | Deposit date: | 2018-12-09 | Release date: | 2019-07-17 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Structural basis for stereoselective dehydration and hydrogen-bonding catalysis by the SAM-dependent pericyclase LepI. Nat.Chem., 11, 2019
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6IX3
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![BU of 6ix3 by Molmil](/molmil-images/mine/6ix3) | The structure of LepI complex with SAM | Descriptor: | CHLORIDE ION, O-methyltransferase lepI, S-ADENOSYLMETHIONINE | Authors: | Cai, Y, Ohashi, M, Hai, Y, Tang, Y, Zhou, J. | Deposit date: | 2018-12-09 | Release date: | 2019-07-17 | Last modified: | 2024-03-27 | Method: | X-RAY DIFFRACTION (2.13 Å) | Cite: | Structural basis for stereoselective dehydration and hydrogen-bonding catalysis by the SAM-dependent pericyclase LepI. Nat.Chem., 11, 2019
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4RNC
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![BU of 4rnc by Molmil](/molmil-images/mine/4rnc) | Crystal structure of an esterase RhEst1 from Rhodococcus sp. ECU1013 | Descriptor: | Esterase, PHOSPHATE ION | Authors: | Dou, S, Kong, X.D, Xu, J.H, Zhou, J. | Deposit date: | 2014-10-23 | Release date: | 2015-10-28 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (1.95 Å) | Cite: | Substrate channel evolution of an esterase for the synthesis of Cilastatin CATALYSIS SCIENCE AND TECHNOLOGY, 5, 2015
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7O7U
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![BU of 7o7u by Molmil](/molmil-images/mine/7o7u) | Crystal structure of rsEGFP2 in the non-fluorescent off-state determined by serial femtosecond crystallography at room temperature | Descriptor: | Green fluorescent protein | Authors: | Hadjidemetriou, K, Woodhouse, J, Coquelle, N, Barends, T.R.M, Schlichting, I, Weik, M, Colletier, J.-P. | Deposit date: | 2021-04-13 | Release date: | 2022-07-27 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Rational Control of Off-State Heterogeneity in a Photoswitchable Fluorescent Protein Provides Switching Contrast Enhancement. Chemphyschem, 23, 2022
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7SCP
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![BU of 7scp by Molmil](/molmil-images/mine/7scp) | The crystal structure of ScoE in complex with intermediate | Descriptor: | (3R)-3-(oxaloamino)butanoic acid, 1,2-ETHANEDIOL, FE (II) ION, ... | Authors: | Cha, L, Chen, J, Zhou, J, Chang, W. | Deposit date: | 2021-09-28 | Release date: | 2022-03-23 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.99 Å) | Cite: | Deciphering the Reaction Pathway of Mononuclear Iron Enzyme-Catalyzed N-C Triple Bond Formation in Isocyanide Lipopeptide and Polyketide Biosynthesis Acs Catalysis, 12, 2022
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8AXG
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![BU of 8axg by Molmil](/molmil-images/mine/8axg) | Crystal structure of Fusobacterium nucleatum fusolisin protease | Descriptor: | 1,2-ETHANEDIOL, DI(HYDROXYETHYL)ETHER, Fusolisin, ... | Authors: | Isupov, M.N, Wiener, R, Rouvinski, A, Fahoum, J, Kumar, M, Read, R.J. | Deposit date: | 2022-08-31 | Release date: | 2023-09-13 | Method: | X-RAY DIFFRACTION (2.04 Å) | Cite: | Crystal structure of Fusobacterium nucleatum fusolisin protease To Be Published
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6XLQ
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![BU of 6xlq by Molmil](/molmil-images/mine/6xlq) | Crystal Structure of the Human BTN3A1 Ectodomain in Complex with the CTX-2026 Fab | Descriptor: | Butyrophilin subfamily 3 member A1, CTX-2026 Heavy Chain, CTX-2026 Light Chain | Authors: | Payne, K.K, Mine, J.A, Biswas, S, Chaurio, R.A, Perales-Puchalt, A, Anadon, C.M, Costich, T.L, Harro, C.M, Walrath, J, Ming, Q, Tcyganov, E, Buras, A.L, Rigolizzo, K.E, Mandal, G, Lajoie, J, Ophir, M, Tchou, J, Marchion, D, Luca, V.C, Bobrowicz, P, McLaughlin, B, Eskiocak, U, Schmidt, M, Cubillos-Ruiz, J.R, Rodriguez, P.C, Gabrilovich, D.I, Conejo-Garcia, J.R. | Deposit date: | 2020-06-29 | Release date: | 2020-09-02 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (3 Å) | Cite: | BTN3A1 governs antitumor responses by coordinating alpha beta and gamma delta T cells. Science, 369, 2020
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4UUQ
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![BU of 4uuq by Molmil](/molmil-images/mine/4uuq) | Crystal structure of human mono-glyceride lipase in complex with SAR127303 | Descriptor: | 4-({[(4-chlorophenyl)sulfonyl]amino}methyl)piperidine-1-carboxylic acid, MONOGLYCERIDE LIPASE | Authors: | Griebel, G, Pichat, P, Beeske, S, Leroy, T, Redon, N, Francon, D, Bert, L, Even, L, Lopez-Grancha, M, Tolstykh, T, Sun, F, Yu, Q, Brittain, S, Arlt, H, He, T, Zhang, B, Wiederschain, D, Bertrand, T, Houtman, J, Rak, A, Vallee, F, Michot, N, Auge, F, Menet, V, Bergis, O.E, George, P, Avenet, P, Mikol, V, Didier, M, Escoubet, J. | Deposit date: | 2014-07-30 | Release date: | 2015-01-21 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.36 Å) | Cite: | Selective Blockade of the Hydrolysis of the Endocannabinoid 2-Arachidonoylglycerol Impairs Learning and Memory Performance While Producing Antinociceptive Activity in Rodents. Sci.Rep., 5, 2015
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8KIF
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![BU of 8kif by Molmil](/molmil-images/mine/8kif) | The structure of MmaE with substrate | Descriptor: | (3R)-3-(2-hydroxy-2-oxoethylamino)decanoic acid, FE (II) ION, Putative dioxygenase | Authors: | Chen, J, Zhou, J. | Deposit date: | 2023-08-23 | Release date: | 2024-04-17 | Last modified: | 2024-07-03 | Method: | X-RAY DIFFRACTION (2.13 Å) | Cite: | Variation in biosynthesis and metal-binding properties of isonitrile-containing peptides produced by Mycobacteria versus Streptomyces. Acs Catalysis, 14, 2024
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8KHT
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![BU of 8kht by Molmil](/molmil-images/mine/8kht) | The structure of Rv0097 with substrate | Descriptor: | (3R)-3-(2-hydroxy-2-oxoethylamino)decanoic acid, FE (II) ION, Oxidoreductase | Authors: | Chen, J, Zhou, J. | Deposit date: | 2023-08-22 | Release date: | 2024-04-17 | Last modified: | 2024-07-03 | Method: | X-RAY DIFFRACTION (2.05 Å) | Cite: | Variation in biosynthesis and metal-binding properties of isonitrile-containing peptides produced by Mycobacteria versus Streptomyces. Acs Catalysis, 14, 2024
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