2TMK
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7U6M
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2RCZ
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![BU of 2rcz by Molmil](/molmil-images/mine/2rcz) | Structure of the second PDZ domain of ZO-1 | Descriptor: | Tight junction protein ZO-1 | Authors: | Lavie, A, Lye, M.F. | Deposit date: | 2007-09-20 | Release date: | 2007-10-09 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Domain swapping within PDZ2 is responsible for dimerization of ZO proteins. J.Biol.Chem., 282, 2007
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5TMP
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![BU of 5tmp by Molmil](/molmil-images/mine/5tmp) | |
1TMK
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![BU of 1tmk by Molmil](/molmil-images/mine/1tmk) | |
1XYA
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![BU of 1xya by Molmil](/molmil-images/mine/1xya) | X-RAY CRYSTALLOGRAPHIC STRUCTURES OF D-XYLOSE ISOMERASE-SUBSTRATE COMPLEXES POSITION THE SUBSTRATE AND PROVIDE EVIDENCE FOR METAL MOVEMENT DURING CATALYSIS | Descriptor: | HYDROXIDE ION, MAGNESIUM ION, XYLOSE ISOMERASE | Authors: | Lavie, A, Allen, K.N, Petsko, G.A, Ringe, D. | Deposit date: | 1994-01-03 | Release date: | 1994-05-31 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (1.81 Å) | Cite: | X-ray crystallographic structures of D-xylose isomerase-substrate complexes position the substrate and provide evidence for metal movement during catalysis. Biochemistry, 33, 1994
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1XYC
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![BU of 1xyc by Molmil](/molmil-images/mine/1xyc) | X-RAY CRYSTALLOGRAPHIC STRUCTURES OF D-XYLOSE ISOMERASE-SUBSTRATE COMPLEXES POSITION THE SUBSTRATE AND PROVIDE EVIDENCE FOR METAL MOVEMENT DURING CATALYSIS | Descriptor: | 3-O-METHYLFRUCTOSE IN LINEAR FORM, MAGNESIUM ION, XYLOSE ISOMERASE | Authors: | Lavie, A, Allen, K.N, Petsko, G.A, Ringe, D. | Deposit date: | 1994-01-03 | Release date: | 1994-05-31 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (2.19 Å) | Cite: | X-ray crystallographic structures of D-xylose isomerase-substrate complexes position the substrate and provide evidence for metal movement during catalysis. Biochemistry, 33, 1994
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1XYB
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![BU of 1xyb by Molmil](/molmil-images/mine/1xyb) | X-RAY CRYSTALLOGRAPHIC STRUCTURES OF D-XYLOSE ISOMERASE-SUBSTRATE COMPLEXES POSITION THE SUBSTRATE AND PROVIDE EVIDENCE FOR METAL MOVEMENT DURING CATALYSIS | Descriptor: | D-glucose, MAGNESIUM ION, XYLOSE ISOMERASE | Authors: | Lavie, A, Allen, K.N, Petsko, G.A, Ringe, D. | Deposit date: | 1994-01-03 | Release date: | 1994-05-31 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (1.96 Å) | Cite: | X-ray crystallographic structures of D-xylose isomerase-substrate complexes position the substrate and provide evidence for metal movement during catalysis. Biochemistry, 33, 1994
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3TMK
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![BU of 3tmk by Molmil](/molmil-images/mine/3tmk) | CRYSTAL STRUCTURE OF YEAST THYMIDYLATE KINASE COMPLEXED WITH THE BISUBSTRATE INHIBITOR TP5A AT 2.0 A RESOLUTION: IMPLICATIONS FOR CATALYSIS AND AZT ACTIVATION | Descriptor: | P1-(5'-ADENOSYL)P5-(5'-THYMIDYL)PENTAPHOSPHATE, THYMIDYLATE KINASE | Authors: | Lavie, A, Schlichting, I, Konrad, M, Goody, R.S, Brundiers, R, Reinstein, J. | Deposit date: | 1998-01-26 | Release date: | 1999-02-16 | Last modified: | 2024-05-22 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Crystal structure of yeast thymidylate kinase complexed with the bisubstrate inhibitor P1-(5'-adenosyl) P5-(5'-thymidyl) pentaphosphate (TP5A) at 2.0 A resolution: implications for catalysis and AZT activation. Biochemistry, 37, 1998
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3QEN
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![BU of 3qen by Molmil](/molmil-images/mine/3qen) | S74E dCK in complex with 5-bromodeoxycytidine and UDP | Descriptor: | 5-bromo-2'-deoxycytidine, Deoxycytidine kinase, URIDINE-5'-DIPHOSPHATE | Authors: | Lavie, A, Hazra, S. | Deposit date: | 2011-01-20 | Release date: | 2011-03-16 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (1.997 Å) | Cite: | Post-translational phosphorylation of serine 74 of human deoxycytidine kinase favors the enzyme adopting the open conformation making it competent for nucleoside binding and release. Biochemistry, 50, 2011
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3QEO
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![BU of 3qeo by Molmil](/molmil-images/mine/3qeo) | S74E-R104M-D133A dCK variant in complex with L-deoxythymidine and UDP | Descriptor: | Deoxycytidine kinase, L-deoxythymidine, URIDINE-5'-DIPHOSPHATE | Authors: | Lavie, A, Hazra, S. | Deposit date: | 2011-01-20 | Release date: | 2011-03-16 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (1.897 Å) | Cite: | Post-translational phosphorylation of serine 74 of human deoxycytidine kinase favors the enzyme adopting the open conformation making it competent for nucleoside binding and release. Biochemistry, 50, 2011
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3MTR
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![BU of 3mtr by Molmil](/molmil-images/mine/3mtr) | Crystal structure of the Ig5-FN1 tandem of human NCAM | Descriptor: | Neural cell adhesion molecule 1, SULFATE ION | Authors: | Lavie, A, Foley, D.A. | Deposit date: | 2010-04-30 | Release date: | 2010-06-23 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Structure and mutagenesis of neural cell adhesion molecule domains: evidence for flexibility in the placement of polysialic acid attachment sites J.Biol.Chem., 285, 2010
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4TMK
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1E9E
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![BU of 1e9e by Molmil](/molmil-images/mine/1e9e) | Mutant human thymidylate kinase (F105Y) complexed with dTMP and ADP | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, THYMIDINE-5'-PHOSPHATE, ... | Authors: | Ostermann, N, Lavie, A, Padiyar, S, Brundiers, R, Veit, T, Reintein, J, Goody, R.S, Konrad, M, Schlichting, I. | Deposit date: | 2000-10-11 | Release date: | 2001-10-11 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Potentiating Azt Activation: Structures of Wildtype and Mutant Human Thymidylate Kinase Suggest Reasons for the Mutants' Improved Kinetics with the HIV Prodrug Metabolite Aztmp J.Mol.Biol., 304, 2000
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1E9D
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![BU of 1e9d by Molmil](/molmil-images/mine/1e9d) | Mutant human thymidylate kinase (F105Y) complexed with AZTMP and ADP | Descriptor: | 3'-AZIDO-3'-DEOXYTHYMIDINE-5'-MONOPHOSPHATE, ADENOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, ... | Authors: | Ostermann, N, Lavie, A, Padiyar, S, Brundiers, R, Veit, T, Reintein, J, Goody, R.S, Konrad, M, Schlichting, I. | Deposit date: | 2000-10-10 | Release date: | 2001-10-11 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Potentiating Azt Activation: Structures of Wildtype and Mutant Human Thymidylate Kinase Suggest Reasons for the Mutants' Improved Kinetics with the HIV Prodrug Metabolite Aztmp J.Mol.Biol., 304, 2000
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5W6O
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![BU of 5w6o by Molmil](/molmil-images/mine/5w6o) | Choline Kinase Alpha in Complex with TCD-717 | Descriptor: | 1,1'-[[1,1'-biphenyl]-4,4'-diylbis(methylene)]bis{4-[(4-chlorophenyl)(methyl)amino]quinolin-1-ium}, 1,2-ETHANEDIOL, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, ... | Authors: | Kall, S.K, Lavie, A. | Deposit date: | 2017-06-16 | Release date: | 2018-02-14 | Last modified: | 2019-12-11 | Method: | X-RAY DIFFRACTION (2.35 Å) | Cite: | Identification of a Unique Inhibitor-Binding Site on Choline Kinase alpha. Biochemistry, 57, 2018
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4GUJ
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![BU of 4guj by Molmil](/molmil-images/mine/4guj) | 1.50 Angstrom Crystal Structure of the Salmonella enterica 3-Dehydroquinate Dehydratase (aroD) in Complex with Shikimate | Descriptor: | (3R,4S,5R)-3,4,5-TRIHYDROXYCYCLOHEX-1-ENE-1-CARBOXYLIC ACID, 3-dehydroquinate dehydratase, ZINC ION | Authors: | Light, S.H, Minasov, G, Duban, M.-E, Shuvalova, L, Kwon, K, Lavie, A, Anderson, W.F, Center for Structural Genomics of Infectious Diseases (CSGID) | Deposit date: | 2012-08-29 | Release date: | 2012-09-12 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | Crystal structures of type I dehydroquinate dehydratase in complex with quinate and shikimate suggest a novel mechanism of schiff base formation. Biochemistry, 53, 2014
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3MJR
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![BU of 3mjr by Molmil](/molmil-images/mine/3mjr) | Human dCK complex with Acyclic Nucleoside | Descriptor: | 9-HYROXYETHOXYMETHYLGUANINE, Deoxycytidine kinase, URIDINE-5'-DIPHOSPHATE | Authors: | Hazra, S, Lavie, A. | Deposit date: | 2010-04-13 | Release date: | 2010-07-28 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | The Sugar Ring of the Nucleoside Is Required for Productive Substrate Positioning in the Active Site of Human Deoxycytidine Kinase (dCK): Implications for the Development of dCK-Activated Acyclic Guanine Analogues. J.Med.Chem., 53, 2010
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5I4B
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5I3Z
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4Q1E
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![BU of 4q1e by Molmil](/molmil-images/mine/4q1e) | Human dCK C4S-S74E mutant in complex with UDP and the inhibitor 10 {2-{[(1R/S)-1-{2-[3-(2-fluoroethoxy)-4-methoxyphenyl]-5-methyl-1,3-thiazol 4-yl}ethyl]sulfanyl}pyrimidine-4,6-diamine} | Descriptor: | (R)-2-((1-(2-(3-(2-fluoroethoxy)-4-methoxyphenyl)-5-methylthiazol-4-yl)ethyl)thio)pyrimidine-4,6-diamine, (S)-2-((1-(2-(3-(2-fluoroethoxy)-4-methoxyphenyl)-5-methylthiazol-4-yl)ethyl)thio)pyrimidine-4,6-diamine, Deoxycytidine kinase, ... | Authors: | Nomme, J, Lavie, A. | Deposit date: | 2014-04-03 | Release date: | 2014-11-05 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (1.85 Å) | Cite: | Structure-guided development of deoxycytidine kinase inhibitors with nanomolar affinity and improved metabolic stability. J.Med.Chem., 57, 2014
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6VMZ
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![BU of 6vmz by Molmil](/molmil-images/mine/6vmz) | Crystal Structure of a H5N1 influenza virus hemagglutinin with CBS1117 | Descriptor: | 2,6-dichloro-N-[1-(propan-2-yl)piperidin-4-yl]benzamide, 2-acetamido-2-deoxy-beta-D-glucopyranose, Hemagglutinin | Authors: | Antanasijevic, A, Durst, M.A, Lavie, A, Caffrey, M. | Deposit date: | 2020-01-28 | Release date: | 2020-07-01 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Structure of avian influenza hemagglutinin in complex with a small molecule entry inhibitor. Life Sci Alliance, 3, 2020
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4PVR
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![BU of 4pvr by Molmil](/molmil-images/mine/4pvr) | |
4YYX
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2GYI
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![BU of 2gyi by Molmil](/molmil-images/mine/2gyi) | DESIGN, SYNTHESIS, AND CHARACTERIZATION OF A POTENT XYLOSE ISOMERASE INHIBITOR, D-THREONOHYDROXAMIC ACID, AND HIGH-RESOLUTION X-RAY CRYSTALLOGRAPHIC STRUCTURE OF THE ENZYME-INHIBITOR COMPLEX | Descriptor: | 2,3,4,N-TETRAHYDROXY-BUTYRIMIDIC ACID, MAGNESIUM ION, XYLOSE ISOMERASE | Authors: | Allen, K.N, Lavie, A, Petsko, G.A, Ringe, D. | Deposit date: | 1994-09-01 | Release date: | 1995-07-10 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Design, Synthesis, and Characterization of a Potent Xylose Isomerase Inhibitor, D-Threonohydroxamic Acid, and High-Resolution X-Ray Crystallographic Structure of the Enzyme-Inhibitor Complex Biochemistry, 34, 1995
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