4B1H
 
 | | Structure of human PARG catalytic domain in complex with ADP-ribose | | Descriptor: | (2S,3S)-1,4-DIMERCAPTOBUTANE-2,3-DIOL, BETA-MERCAPTOETHANOL, GLYCEROL, ... | | Authors: | Brassington, C, Ellston, J, Hassall, G, Holdgate, G, McAlister, M, Smith, G, Tucker, J.A, Watson, M. | | Deposit date: | 2012-07-10 | | Release date: | 2012-12-19 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Structures of the Human Poly (Adp-Ribose) Glycohydrolase Catalytic Domain Confirm Catalytic Mechanism and Explain Inhibition by Adp-Hpd Derivatives.
Plos One, 7, 2012
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7L4X
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7SYS
 | | Structure of the delta dII IRES eIF2-containing 48S initiation complex, closed conformation. Structure 12(delta dII). | | Descriptor: | 18S rRNA, Eukaryotic translation initiation factor 1A, X-chromosomal, ... | | Authors: | Brown, Z.P, Abaeva, I.S, De, S, Hellen, C.U.T, Pestova, T.V, Frank, J. | | Deposit date: | 2021-11-25 | | Release date: | 2022-07-27 | | Last modified: | 2024-11-06 | | Method: | ELECTRON MICROSCOPY (3.5 Å) | | Cite: | Molecular architecture of 40S translation initiation complexes on the hepatitis C virus IRES.
Embo J., 41, 2022
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5DDL
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5D3J
 | | First bromodomain of BRD4 bound to inhibitor XD33 | | Descriptor: | 4-acetyl-N-[3-(diethylsulfamoyl)phenyl]-3-ethyl-5-methyl-1H-pyrrole-2-carboxamide, Bromodomain-containing protein 4 | | Authors: | Wohlwend, D, Huegle, M. | | Deposit date: | 2015-08-06 | | Release date: | 2016-01-20 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | 4-Acyl Pyrrole Derivatives Yield Novel Vectors for Designing Inhibitors of the Acetyl-Lysine Recognition Site of BRD4(1).
J.Med.Chem., 59, 2016
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4A6G
 | | N-acyl amino acid racemase from Amycalotopsis sp. Ts-1-60: G291D- F323Y mutant in complex with N-acetyl methionine | | Descriptor: | MAGNESIUM ION, N-ACETYLMETHIONINE, N-ACYLAMINO ACID RACEMASE | | Authors: | Baxter, S, Royer, S, Grogan, G, Holt-Tiffin, K.E, Taylor, I.N, Fotheringham, I.G, Campopiano, D.J. | | Deposit date: | 2011-11-02 | | Release date: | 2012-11-14 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (2.71 Å) | | Cite: | An Improved Racemase/Acylase Biotransformation for the Preparation of Enantiomerically Pure Amino Acids.
J.Am.Chem.Soc., 134, 2012
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5H5M
 | | Crystal structure of HMP-1 M domain | | Descriptor: | Alpha-catenin-like protein hmp-1 | | Authors: | Kang, H, Bang, I, Weis, W.I, Choi, H.J. | | Deposit date: | 2016-11-08 | | Release date: | 2017-03-29 | | Last modified: | 2024-05-29 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Structural and functional characterization of Caenorhabditis elegans alpha-catenin reveals constitutive binding to beta-catenin and F-actin
J. Biol. Chem., 292, 2017
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1KY0
 | | METHIONINE CORE MUTANT OF T4 LYSOZYME | | Descriptor: | 2-HYDROXYETHYL DISULFIDE, CHLORIDE ION, LYSOZYME | | Authors: | Gassner, N.C, Baase, W.A, Mooers, B.H, Busam, R.D, Weaver, L.H, Lindstrom, J.D, Quillin, M.L, Matthews, B.W. | | Deposit date: | 2002-02-01 | | Release date: | 2003-06-03 | | Last modified: | 2024-02-14 | | Method: | X-RAY DIFFRACTION (1.97 Å) | | Cite: | Multiple methionine substitutions are tolerated in T4 lysozyme and have coupled effects on folding and stability
BIOPHYS.CHEM., 100, 2003
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3FGY
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3KRZ
 | | Crystal Structure of the Thermostable NADH4-bound old yellow enzyme from Thermoanaerobacter pseudethanolicus E39 | | Descriptor: | 1,4,5,6-TETRAHYDRONICOTINAMIDE ADENINE DINUCLEOTIDE, FLAVIN MONONUCLEOTIDE, NADH:flavin oxidoreductase/NADH oxidase | | Authors: | Adalbjornsson, B.V, Toogood, H.S, Leys, D, Scrutton, N.S. | | Deposit date: | 2009-11-20 | | Release date: | 2009-12-08 | | Last modified: | 2024-03-20 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Biocatalysis with thermostable enzymes: structure and properties of a thermophilic 'ene'-reductase related to old yellow enzyme.
Chembiochem, 11, 2010
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5UCI
 | | Hsp90b N-terminal domain with inhibitors | | Descriptor: | (2,4-Dihydroxy-3-(hydroxymethyl)-5-isopropylphenyl)(isoindolin-2-yl)methanone, DIMETHYL SULFOXIDE, GLYCEROL, ... | | Authors: | Peng, S, Balch, M, Matts, R, Deng, J. | | Deposit date: | 2016-12-22 | | Release date: | 2018-01-03 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (2.7 Å) | | Cite: | Structure-guided design of an Hsp90 beta N-terminal isoform-selective inhibitor.
Nat Commun, 9, 2018
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4ZZX
 | | Structure of PARP2 catalytic domain bound to an isoindolinone inhibitor | | Descriptor: | 2-(3-methoxypropyl)-3-oxo-2,3-dihydro-1H-isoindole-4-carboxamide, POLY [ADP-RIBOSE] POLYMERASE 2 | | Authors: | Casale, E, Fasolini, M, Papeo, G, Posteri, H, Borghi, D, Busel, A.A, Caprera, F, Ciomei, M, Cirla, A, Corti, E, DAnello, M, Fasolini, M, Felder, E.R, Forte, B, Galvani, A, Isacchi, A, Khvat, A, Krasavin, M.Y, Lupi, R, Orsini, P, Perego, R, Pesenti, E, Pezzetta, D, Rainoldi, S, RiccardiSirtori, F, Scolaro, A, Sola, F, Zuccotto, F, Donati, D, Montagnoli, A. | | Deposit date: | 2015-04-15 | | Release date: | 2015-08-12 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (1.65 Å) | | Cite: | Discovery of 2-[1-(4,4-Difluorocyclohexyl)Piperidin-4-Yl]-6-Fluoro-3-Oxo-2,3-Dihydro-1H-Isoindole-4-Carboxamide (Nms-P118): A Potent, Orally Available and Highly Selective Parp- 1 Inhibitor for Cancer Therapy.
J.Med.Chem., 58, 2015
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1KY1
 | | METHIONINE CORE MUTANT OF T4 LYSOZYME | | Descriptor: | 2-HYDROXYETHYL DISULFIDE, CHLORIDE ION, LYSOZYME | | Authors: | Gassner, N.C, Baase, W.A, Mooers, B.H, Busam, R.D, Weaver, L.H, Lindstrom, J.D, Quillin, M.L, Matthews, B.W. | | Deposit date: | 2002-02-01 | | Release date: | 2003-06-03 | | Last modified: | 2024-02-14 | | Method: | X-RAY DIFFRACTION (2.05 Å) | | Cite: | Multiple methionine substitutions are tolerated in T4 lysozyme and have coupled effects on folding and stability
BIOPHYS.CHEM., 100, 2003
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3BJD
 | | Crystal structure of putative 3-oxoacyl-(acyl-carrier-protein) synthase from Pseudomonas aeruginosa | | Descriptor: | 1,2-ETHANEDIOL, NICKEL (II) ION, Putative 3-oxoacyl-(acyl-carrier-protein) synthase | | Authors: | Osipiuk, J, Evdokimova, E, Kudritska, M, Savchenko, A, Edwards, A.M, Joachimiak, A, Midwest Center for Structural Genomics (MCSG) | | Deposit date: | 2007-12-03 | | Release date: | 2007-12-11 | | Last modified: | 2024-10-30 | | Method: | X-RAY DIFFRACTION (1.85 Å) | | Cite: | Crystal structure of putative 3-oxoacyl-(acyl-carrier-protein) synthase from Pseudomonas aeruginosa.
To be Published
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1AKG
 | | ALPHA-CONOTOXIN PNIB FROM CONUS PENNACEUS | | Descriptor: | ALPHA-CONOTOXIN PNIB | | Authors: | Hu, S.-H, Martin, J.L. | | Deposit date: | 1997-05-18 | | Release date: | 1998-05-20 | | Last modified: | 2024-10-23 | | Method: | X-RAY DIFFRACTION (1.1 Å) | | Cite: | Crystal structure at 1.1 A resolution of alpha-conotoxin PnIB: comparison with alpha-conotoxins PnIA and GI.
Biochemistry, 36, 1997
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7Z6R
 | | Psychrobacter arcticus ATPPRT (HisGZ) R56A mutant bound to ATP and PRPP | | Descriptor: | 1-O-pyrophosphono-5-O-phosphono-alpha-D-ribofuranose, ADENOSINE-5'-TRIPHOSPHATE, ATP phosphoribosyltransferase, ... | | Authors: | Alphey, M.S, Fisher, G, da Silva, R.G. | | Deposit date: | 2022-03-14 | | Release date: | 2022-03-23 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (2.55 Å) | | Cite: | Allosteric rescue of catalytically impaired ATP phosphoribosyltransferase variants links protein dynamics to active-site electrostatic preorganisation.
Nat Commun, 13, 2022
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1L38
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1ALV
 | | CALCIUM BOUND DOMAIN VI OF PORCINE CALPAIN | | Descriptor: | CALCIUM ION, CALPAIN | | Authors: | Narayana, S.V.L, Lin, G, Chattopadhyay, D, Maki, M. | | Deposit date: | 1997-06-03 | | Release date: | 1998-06-03 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Crystal structure of calcium bound domain VI of calpain at 1.9 A resolution and its role in enzyme assembly, regulation, and inhibitor binding.
Nat.Struct.Biol., 4, 1997
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6U8A
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1L0K
 | | METHIONINE CORE MUTANT OF T4 LYSOZYME | | Descriptor: | 2-HYDROXYETHYL DISULFIDE, CHLORIDE ION, LYSOZYME | | Authors: | Gassner, N.C, Baase, W.A, Mooers, B.H, Busam, R.D, Weaver, L.H, Lindstrom, J.D, Quillin, M.L, Matthews, B.W. | | Deposit date: | 2002-02-11 | | Release date: | 2003-06-03 | | Last modified: | 2024-02-14 | | Method: | X-RAY DIFFRACTION (2.02 Å) | | Cite: | Multiple methionine substitutions are tolerated in T4 lysozyme and have coupled effects on folding and stability
BIOPHYS.CHEM., 100, 2003
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3IKJ
 | | Structural characterization for the nucleotide binding ability of subunit A mutant S238A of the A1AO ATP synthase | | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, V-type ATP synthase alpha chain | | Authors: | Kumar, A, Manimekali, M.S.S, Balakrishna, A.M, Jeyakanthan, J, Gruber, G. | | Deposit date: | 2009-08-06 | | Release date: | 2010-01-12 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Nucleotide binding states of subunit A of the A-ATP synthase and the implication of P-loop switch in evolution.
J.Mol.Biol., 396, 2010
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7Z8U
 | | Catalytic subunit HisG R56A mutant from Psychrobacter arcticus ATPPRT (HisGZ) in complex with ATP and PRPP | | Descriptor: | 1-O-pyrophosphono-5-O-phosphono-alpha-D-ribofuranose, ADENOSINE-5'-TRIPHOSPHATE, ATP phosphoribosyltransferase, ... | | Authors: | Alphey, M.S, Fisher, G, da Silva, R.G. | | Deposit date: | 2022-03-18 | | Release date: | 2022-03-30 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Allosteric rescue of catalytically impaired ATP phosphoribosyltransferase variants links protein dynamics to active-site electrostatic preorganisation.
Nat Commun, 13, 2022
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3IMX
 | | Crystal Structure of human glucokinase in complex with a synthetic activator | | Descriptor: | (2R)-3-cyclopentyl-N-(5-methoxy[1,3]thiazolo[5,4-b]pyridin-2-yl)-2-{4-[(4-methylpiperazin-1-yl)sulfonyl]phenyl}propanamide, Glucokinase, SODIUM ION, ... | | Authors: | Stams, T, Vash, B. | | Deposit date: | 2009-08-11 | | Release date: | 2009-10-06 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Investigation of functionally liver selective glucokinase activators for the treatment of type 2 diabetes.
J.Med.Chem., 52, 2009
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5DVC
 | | Human PPARgamma ligand binding dmain complexed with SB1453 in a covalent bonded form | | Descriptor: | N-[2-({3-[({4-[(4-methylpiperazin-1-yl)methyl]benzoyl}amino)methyl]benzyl}oxy)phenyl]-3-nitrobenzamide, Nuclear receptor coactivator 1, Peroxisome proliferator-activated receptor gamma | | Authors: | Jang, J.Y. | | Deposit date: | 2015-09-21 | | Release date: | 2016-09-21 | | Last modified: | 2024-10-23 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Human PPARgamma ligand binding dmain complexed with SB1453 in a covalent bonded form
To Be Published
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6L1P
 | | Crystal structure of PHF20L1 in complex with Hit 1 | | Descriptor: | 4-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)phenol, GLYCEROL, PHD finger protein 20-like protein 1, ... | | Authors: | Lv, M.Q, Gao, J. | | Deposit date: | 2019-09-29 | | Release date: | 2020-09-23 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (1.231 Å) | | Cite: | Conformational Selection in Ligand Recognition by the First Tudor Domain of PHF20L1.
J Phys Chem Lett, 11, 2020
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