1W2I
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![BU of 1w2i by Molmil](/molmil-images/mine/1w2i) | Crystal structuore of acylphosphatase from Pyrococcus horikoshii complexed with formate | Descriptor: | ACYLPHOSPHATASE, FORMIC ACID | Authors: | Cheung, Y.Y, Lam, S.Y, Chu, W.K, Allen, M.D, Bycroft, M, Wong, K.B. | Deposit date: | 2004-07-06 | Release date: | 2004-08-04 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | Crystal Structure of a Hyperthermophilic Archaeal Acylphosphatase from Pyrococcus Horikoshii-Structural Insights Into Enzymatic Catalysis, Thermostability, and Dimerization Biochemistry, 44, 2005
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6X6Z
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![BU of 6x6z by Molmil](/molmil-images/mine/6x6z) | Rev1 Ternary Complex with dCTP and Ca2+ | Descriptor: | 2'-DEOXYCYTIDINE-5'-TRIPHOSPHATE, CALCIUM ION, DNA (5'-D(*CP*AP*TP*CP*GP*CP*TP*AP*CP*CP*AP*CP*AP*CP*CP*CP*C)-3'), ... | Authors: | Weaver, T.M, Freudenthal, B.D. | Deposit date: | 2020-05-29 | Release date: | 2020-09-30 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.4 Å) | Cite: | Visualizing Rev1 catalyze protein-template DNA synthesis. Proc.Natl.Acad.Sci.USA, 117, 2020
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6X73
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![BU of 6x73 by Molmil](/molmil-images/mine/6x73) | Rev1 Mg2+-facilitated Product Complex with one monophosphate | Descriptor: | AMMONIUM ION, DNA (5'-D(*CP*AP*TP*CP*GP*CP*TP*AP*CP*CP*AP*CP*AP*CP*CP*CP*C)-3'), DNA (5'-D(*GP*GP*GP*GP*TP*GP*TP*GP*GP*TP*AP*GP*C)-3'), ... | Authors: | Weaver, T.M, Freudenthal, B.D. | Deposit date: | 2020-05-29 | Release date: | 2020-09-30 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.05 Å) | Cite: | Visualizing Rev1 catalyze protein-template DNA synthesis. Proc.Natl.Acad.Sci.USA, 117, 2020
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8SL1
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![BU of 8sl1 by Molmil](/molmil-images/mine/8sl1) | Cryo-EM structure of PAPP-A2 | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, ... | Authors: | Judge, R.A, Stoll, V.S, Eaton, D, Hao, Q, Bratkowski, M.A. | Deposit date: | 2023-04-20 | Release date: | 2023-11-08 | Last modified: | 2024-05-01 | Method: | ELECTRON MICROSCOPY (3.13 Å) | Cite: | Cryo-EM structure of human PAPP-A2 and mechanism of substrate recognition. Commun Chem, 6, 2023
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2XP9
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![BU of 2xp9 by Molmil](/molmil-images/mine/2xp9) | DISCOVERY OF CELL-ACTIVE PHENYL-IMIDAZOLE PIN1 INHIBITORS BY STRUCTURE-GUIDED FRAGMENT EVOLUTION | Descriptor: | 4-[BENZYL(CARBOXYMETHYL)CARBAMOYL]-2-PHENYL-1H-IMIDAZOLE-5-CARBOXYLIC ACID, DODECAETHYLENE GLYCOL, PEPTIDYL-PROLYL CIS-TRANS ISOMERASE NIMA-INTERACTING 1 | Authors: | Potter, A, Oldfield, V, Nunns, C, Fromont, C, Ray, S, Northfield, C.J, Bryant, C.J, Scrace, S.F, Robinson, D, Matossova, N, Baker, L, Dokurno, P, Surgenor, A.E, Davis, B.E, Richardson, C.M, Murray, J.B, Moore, J.D. | Deposit date: | 2010-08-25 | Release date: | 2011-01-12 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Discovery of Cell-Active Phenyl-Imidazole Pin1 Inhibitors by Structure-Guided Fragment Evolution. Bioorg.Med.Chem.Lett., 20, 2010
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2XP5
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![BU of 2xp5 by Molmil](/molmil-images/mine/2xp5) | DISCOVERY OF CELL-ACTIVE PHENYL-IMIDAZOLE PIN1 INHIBITORS BY STRUCTURE-GUIDED FRAGMENT EVOLUTION | Descriptor: | 5-METHYL-2-PHENYL-1H-IMIDAZOLE-4-CARBOXYLIC ACID, DODECAETHYLENE GLYCOL, PEPTIDYL-PROLYL CIS-TRANS ISOMERASE NIMA-INTERACTING 1 | Authors: | Potter, A, Oldfield, V, Nunns, C, Fromont, C, Ray, S, Northfield, C.J, Bryant, C.J, Scrace, S.F, Robinson, D, Matossova, N, Baker, L, Dokurno, P, Surgenor, A.E, Davis, B.E, Richardson, C.M, Murray, J.B, Moore, J.D. | Deposit date: | 2010-08-25 | Release date: | 2011-01-12 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Discovery of Cell-Active Phenyl-Imidazole Pin1 Inhibitors by Structure-Guided Fragment Evolution. Bioorg.Med.Chem.Lett., 20, 2010
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1I7C
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![BU of 1i7c by Molmil](/molmil-images/mine/1i7c) | HUMAN S-ADENOSYLMETHIONINE DECARBOXYLASE WITH COVALENTLY BOUND PYRUVOYL GROUP AND COMPLEXED WITH METHYLGLYOXAL BIS-(GUANYLHYDRAZONE) | Descriptor: | 1,4-DIAMINOBUTANE, METHYLGLYOXAL BIS-(GUANYLHYDRAZONE), S-ADENOSYLMETHIONINE DECARBOXYLASE ALPHA CHAIN, ... | Authors: | Tolbert, W.D, Ekstrom, J.L, Mathews, I.I, Secrist III, J.A, Pegg, A.E, Ealick, S.E. | Deposit date: | 2001-03-08 | Release date: | 2001-08-22 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | The structural basis for substrate specificity and inhibition of human S-adenosylmethionine decarboxylase. Biochemistry, 40, 2001
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5DKP
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![BU of 5dkp by Molmil](/molmil-images/mine/5dkp) | Crystal Structure of N. meningitidis ClpP in complex with agonist ADEP A54556. | Descriptor: | ATP-dependent Clp protease proteolytic subunit, POTASSIUM ION, SODIUM ION, ... | Authors: | Goodreid, J.D, Janetzko, J, Santa Maria Jr, J.P, Wong, K, Leung, E, Eger, B.T, Bryson, S, Pai, E.F, Gray-Owen, S.D, Walker, S, Houry, W.A, Batey, R.A. | Deposit date: | 2015-09-03 | Release date: | 2016-01-27 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (2.381 Å) | Cite: | Development and Characterization of Potent Cyclic Acyldepsipeptide Analogues with Increased Antimicrobial Activity. J.Med.Chem., 59, 2016
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6X6K
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![BU of 6x6k by Molmil](/molmil-images/mine/6x6k) | Cryo-EM Structure of the Helicobacter pylori dCag3 OMC | Descriptor: | Cag pathogenicity island protein, Cag pathogenicity island protein (Cag7), Type IV secretion system apparatus protein CagX | Authors: | Sheedlo, M.J, Chung, J.M, Sawhney, N, Durie, C.L, Cover, T.L, Ohi, M.D, Lacy, D.B. | Deposit date: | 2020-05-28 | Release date: | 2020-10-07 | Last modified: | 2024-03-06 | Method: | ELECTRON MICROSCOPY (3.1 Å) | Cite: | Cryo-EM reveals species-specific components within the Helicobacter pylori Cag type IV secretion system core complex. Elife, 9, 2020
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2XP3
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![BU of 2xp3 by Molmil](/molmil-images/mine/2xp3) | DISCOVERY OF CELL-ACTIVE PHENYL-IMIDAZOLE PIN1 INHIBITORS BY STRUCTURE-GUIDED FRAGMENT EVOLUTION | Descriptor: | 5-(2-METHOXYPHENYL)-2-FUROIC ACID, DODECAETHYLENE GLYCOL, PEPTIDYL-PROLYL CIS-TRANS ISOMERASE NIMA-INTERACTING 1 | Authors: | Potter, A, Oldfield, V, Nunns, C, Fromont, C, Ray, S, Northfield, C.J, Bryant, C.J, Scrace, S.F, Robinson, D, Matossova, N, Baker, L, Dokurno, P, Surgenor, A.E, Davis, B.E, Richardson, C.M, Murray, J.B, Moore, J.D. | Deposit date: | 2010-08-25 | Release date: | 2011-01-12 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Discovery of Cell-Active Phenyl-Imidazole Pin1 Inhibitors by Structure-Guided Fragment Evolution. Bioorg.Med.Chem.Lett., 20, 2010
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4F5N
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![BU of 4f5n by Molmil](/molmil-images/mine/4f5n) | Open ternary complex of R283K DNA polymerase beta with a metal free dCTP analog | Descriptor: | 2'-deoxy-5'-O-[(S)-{difluoro[(S)-hydroxy(phosphonooxy)phosphoryl]methyl}(hydroxy)phosphoryl]cytidine, DNA (5'-D(*CP*CP*GP*AP*CP*GP*GP*CP*GP*CP*AP*TP*CP*AP*GP*C)-3'), DNA (5'-D(*GP*CP*TP*GP*AP*TP*GP*CP*GP*C)-3'), ... | Authors: | Freudenthal, B.D, Beard, W.A, Wilson, S.H. | Deposit date: | 2012-05-13 | Release date: | 2012-12-12 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Structures of dNTP Intermediate States during DNA Polymerase Active Site Assembly. Structure, 20, 2012
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4ONR
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![BU of 4onr by Molmil](/molmil-images/mine/4onr) | |
5DN9
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![BU of 5dn9 by Molmil](/molmil-images/mine/5dn9) | Crystal structure of Candida boidinii formate dehydrogenase complexed with NAD+ and azide | Descriptor: | AZIDE ION, CHLORIDE ION, FDH, ... | Authors: | Guo, Q, Gakhar, L, Wichersham, K, Francis, K, Vardi-Kilshtain, A, Major, D.T, Cheatum, C.M, Kohen, A. | Deposit date: | 2015-09-09 | Release date: | 2016-05-04 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | Structural and Kinetic Studies of Formate Dehydrogenase from Candida boidinii. Biochemistry, 55, 2016
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8SQN
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![BU of 8sqn by Molmil](/molmil-images/mine/8sqn) | CryoEM structure of Western equine encephalitis virus VLP in complex with the chimeric Du-D1-Mo-D2 MXRA8 receptor | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, DuD1MoD2 chimeric MXRA8, E1 envelope glycoprotein, ... | Authors: | Zimmerman, M.I, Fremont, D.H, Center for Structural Genomics of Infectious Diseases (CSGID), Center for Structural Biology of Infectious Diseases (CSBID) | Deposit date: | 2023-05-04 | Release date: | 2023-12-20 | Method: | ELECTRON MICROSCOPY (3.89 Å) | Cite: | Vertebrate-class-specific binding modes of the alphavirus receptor MXRA8. Cell, 186, 2023
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6XHA
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![BU of 6xha by Molmil](/molmil-images/mine/6xha) | Crystal Structure of KRAS-G12V (GMPPNP-bound) in complex with RAS-binding domain (RBD) and cysteine-rich domain (CRD) of RAF1/CRAF | Descriptor: | CHLORIDE ION, GLYCEROL, Isoform 2B of GTPase KRas, ... | Authors: | Tran, T.H, Chan, A.H, Dharmaiah, S, Simanshu, D.K. | Deposit date: | 2020-06-18 | Release date: | 2021-01-13 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (2.87 Å) | Cite: | KRAS interaction with RAF1 RAS-binding domain and cysteine-rich domain provides insights into RAS-mediated RAF activation. Nat Commun, 12, 2021
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6X6J
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![BU of 6x6j by Molmil](/molmil-images/mine/6x6j) | Cryo-EM Structure of CagX and CagY within the Helicobacter pylori PR | Descriptor: | Cag pathogenicity island protein (Cag7), Cag pathogenicity island protein (Cag8) | Authors: | Sheedlo, M.J, Chung, J.M, Sawhney, N, Durie, C.L, Cover, T.L, Ohi, M.D, Lacy, D.B. | Deposit date: | 2020-05-28 | Release date: | 2020-09-30 | Last modified: | 2021-04-14 | Method: | ELECTRON MICROSCOPY (3.5 Å) | Cite: | Cryo-EM reveals species-specific components within the Helicobacter pylori Cag type IV secretion system core complex. Elife, 9, 2020
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6REI
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![BU of 6rei by Molmil](/molmil-images/mine/6rei) | Crystal structure of Pizza6-S with Cd2+ | Descriptor: | CADMIUM ION, CHLORIDE ION, GLYCEROL, ... | Authors: | Noguchi, H, Clarke, D.E, Gryspeerdt, J.L, Feyter, S.D, Voet, A.R.D. | Deposit date: | 2019-04-12 | Release date: | 2020-05-13 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | Artificial beta-Propeller Protein-based Hydrolases To Be Published
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6REM
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![BU of 6rem by Molmil](/molmil-images/mine/6rem) | Crystal structure of Pizza6-SH with Sulphate ion | Descriptor: | Pizza6-SH, SULFATE ION | Authors: | Noguchi, H, Clarke, D.E, Gryspeerdt, J.L, Feyter, S.D, Voet, A.R.D. | Deposit date: | 2019-04-12 | Release date: | 2020-05-13 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Artificial beta-Propeller Protein-based Hydrolases To Be Published
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2XIB
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![BU of 2xib by Molmil](/molmil-images/mine/2xib) | CRYSTAL STRUCTURE OF AN ALPHA-L-FUCOSIDASE GH29 FROM BACTEROIDES THETAIOTAOMICRON IN COMPLEX WITH DEOXYFUCONOJIRIMYCIN | Descriptor: | (2S,3R,4S,5R)-2-METHYLPIPERIDINE-3,4,5-TRIOL, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, ALPHA-L-FUCOSIDASE, ... | Authors: | Lammerts van Bueren, A, Popat, S.D, Lin, C.H, Davies, G.J. | Deposit date: | 2010-06-28 | Release date: | 2010-07-21 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Structural and Thermodynamic Analyses of Alpha-L-Fucosidase Inhibitors. Chembiochem, 11, 2010
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4FJZ
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![BU of 4fjz by Molmil](/molmil-images/mine/4fjz) | Crystal structure of PI3K-gamma in complex with pyrrolo-pyridine inhibitor 63 | Descriptor: | 1'-[7-fluoro-3-methyl-2-(pyridin-2-yl)quinolin-4-yl]-6'-(morpholin-4-yl)-1',2,2',3,5,6-hexahydrospiro[pyran-4,3'-pyrrolo[3,2-b]pyridine], Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform, SULFATE ION | Authors: | Whittington, D.A, Tang, J, Yakowec, P. | Deposit date: | 2012-06-12 | Release date: | 2012-10-24 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (3 Å) | Cite: | Discovery and in Vivo Evaluation of Dual PI3K-beta/delta inhibitors J.Med.Chem., 55, 2012
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3KOZ
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![BU of 3koz by Molmil](/molmil-images/mine/3koz) | Crystal Structure of ornithine 4,5 aminomutase in complex with ornithine (Anaerobic) | Descriptor: | (E)-N~5~-({3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methylidene)-L-ornithine, 5'-DEOXYADENOSINE, COBALAMIN, ... | Authors: | Wolthers, K.R, Levy, C.W, Scrutton, N.S, Leys, D. | Deposit date: | 2009-11-14 | Release date: | 2010-01-26 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Large-scale domain dynamics and adenosylcobalamin reorientation orchestrate radical catalysis in ornithine 4,5-aminomutase. J.Biol.Chem., 285, 2010
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2XPA
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![BU of 2xpa by Molmil](/molmil-images/mine/2xpa) | DISCOVERY OF CELL-ACTIVE PHENYL-IMIDAZOLE PIN1 INHIBITORS BY STRUCTURE-GUIDED FRAGMENT EVOLUTION | Descriptor: | 4-[(2-amino-2-oxoethyl)(methyl)carbamoyl]-2-phenyl-1H-imidazole-5-carboxylic acid, DODECAETHYLENE GLYCOL, PEPTIDYL-PROLYL CIS-TRANS ISOMERASE NIMA-INTERACTING 1 | Authors: | Potter, A, Oldfield, V, Nunns, C, Fromont, C, Ray, S, Northfield, C.J, Bryant, C.J, Scrace, S.F, Robinson, D, Matossova, N, Baker, L, Dokurno, P, Surgenor, A.E, Davis, B.E, Richardson, C.M, Murray, J.B, Moore, J.D. | Deposit date: | 2010-08-25 | Release date: | 2011-01-12 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Discovery of Cell-Active Phenyl-Imidazole Pin1 Inhibitors by Structure-Guided Fragment Evolution. Bioorg.Med.Chem.Lett., 20, 2010
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6XEB
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![BU of 6xeb by Molmil](/molmil-images/mine/6xeb) | STRUCTURE OF HUMAN HDAC2 IN COMPLEX WITH KETONE INHIBITOR (COMPOUND E) | Descriptor: | 5-{(1S)-7,7-dihydroxy-1-[(1-methylazetidine-3-carbonyl)amino]nonyl}-2-phenyl-1H-imidazole-4-carboxamide, CALCIUM ION, DI(HYDROXYETHYL)ETHER, ... | Authors: | Klein, D.J, Clausen, D. | Deposit date: | 2020-06-12 | Release date: | 2020-08-12 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | Development of a selective HDAC inhibitor aimed at reactivating the HIV latent reservoir. Bioorg.Med.Chem.Lett., 30, 2020
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6XGV
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![BU of 6xgv by Molmil](/molmil-images/mine/6xgv) | Crystal Structure of KRAS-G13D (GMPPNP-bound) in complex with RAS-binding domain (RBD) and cysteine-rich domain (CRD) of RAF1/CRAF | Descriptor: | CHLORIDE ION, GLYCEROL, GTPase KRas, ... | Authors: | Tran, T.H, Chan, A.H, Dharmaiah, S, Simanshu, D.K. | Deposit date: | 2020-06-18 | Release date: | 2021-01-13 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.11 Å) | Cite: | KRAS interaction with RAF1 RAS-binding domain and cysteine-rich domain provides insights into RAS-mediated RAF activation. Nat Commun, 12, 2021
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4OAL
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![BU of 4oal by Molmil](/molmil-images/mine/4oal) | Crystal structure of maize cytokinin oxidase/dehydrogenase 4 (ZmCKO4) in complex with phenylurea inhibitor CPPU in alternative spacegroup | Descriptor: | 1-(2-chloropyridin-4-yl)-3-phenylurea, Cytokinin dehydrogenase 4, DIMETHYL SULFOXIDE, ... | Authors: | Kopecny, D, Morera, S, Vigouroux, A, Koncitikova, R. | Deposit date: | 2014-01-05 | Release date: | 2015-04-01 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Kinetic and structural investigation of the cytokinin oxidase/dehydrogenase active site. Febs J., 283, 2016
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