6MIU
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5CAE
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4YKI
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4YKJ
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5T75
| Human carbonic anhydrase II G132C_C206S double mutant in complex with SA-2 | Descriptor: | 4-[(E)-(4-aminophenyl)diazenyl]benzenesulfonamide, Carbonic anhydrase 2, ZINC ION | Authors: | DuBay, K.H, Iwan, K, Osorio-Planes, L, Geissler, P, Groll, M, Trauner, D, Broichhagen, J. | Deposit date: | 2016-09-02 | Release date: | 2017-09-06 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | A Predictive Approach for the Optical Control of Carbonic Anhydrase II Activity. ACS Chem. Biol., 13, 2018
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5T71
| Human carboanhydrase F131C_C206S double mutant in complex with SA-2 | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 4-(HYDROXYMERCURY)BENZOIC ACID, 4-[(E)-diazenyl]benzene-1-sulfonamide, ... | Authors: | DuBay, K.H, Iwan, K, Osorio-Planes, L, Geissler, P, Groll, M, Trauner, D, Broichhagen, J. | Deposit date: | 2016-09-02 | Release date: | 2017-09-06 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.3 Å) | Cite: | A Predictive Approach for the Optical Control of Carbonic Anhydrase II Activity. ACS Chem. Biol., 13, 2018
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7MZ5
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2C3K
| Identification of a buried pocket for potent and selective inhibition of Chk1: prediction and verification | Descriptor: | 4-[3-(1H-BENZIMIDAZOL-2-YL)-1H-INDAZOL-6-YL]-2-METHOXYPHENOL, SERINE/THREONINE-PROTEIN KINASE CHK1 | Authors: | Foloppe, N, Fisher, L.M, Francis, G, Howes, R, Kierstan, P, Potter, A. | Deposit date: | 2005-10-10 | Release date: | 2005-11-23 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | Identification of a Buried Pocket for Potent and Selective Inhibition of Chk1: Prediction and Verification. Bioorg.Med.Chem., 14, 2006
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5T74
| Human carboanhydrase F131C_C206S double mutant in complex with 14 | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 2-[2,5-bis(oxidanylidene)pyrrol-1-yl]-~{N}-(4-sulfamoylphenyl)ethanamide, 4-(HYDROXYMERCURY)BENZOIC ACID, ... | Authors: | DuBay, K.H, Iwan, K, Osorio-Planes, L, Geissler, P, Groll, M, Trauner, D, Broichhagen, J. | Deposit date: | 2016-09-02 | Release date: | 2017-09-06 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.2 Å) | Cite: | A Predictive Approach for the Optical Control of Carbonic Anhydrase II Activity. ACS Chem. Biol., 13, 2018
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2C3J
| Identification of a buried pocket for potent and selective inhibition of Chk1: prediction and verification | Descriptor: | DEBROMOHYMENIALDISINE, SERINE/THREONINE-PROTEIN KINASE CHK1, SULFITE ION | Authors: | Foloppe, N, Fisher, L.M, Francis, G, Howes, R, Kierstan, P, Potter, A. | Deposit date: | 2005-10-10 | Release date: | 2005-11-23 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Identification of a Buried Pocket for Potent and Selective Inhibition of Chk1: Prediction and Verification. Bioorg.Med.Chem., 14, 2006
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1BWK
| OLD YELLOW ENZYME (OYE1) MUTANT H191N | Descriptor: | FLAVIN MONONUCLEOTIDE, PROTEIN (NADPH DEHYDROGENASE 1) | Authors: | Brown, B.J, Deng, Z, Karplus, P.A, Massey, V. | Deposit date: | 1998-09-24 | Release date: | 1998-09-30 | Last modified: | 2023-08-09 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | On the active site of Old Yellow Enzyme. Role of histidine 191 and asparagine 194. J.Biol.Chem., 273, 1998
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1FKS
| SOLUTION STRUCTURE OF FKBP, A ROTAMASE ENZYME AND RECEPTOR FOR FK506 AND RAPAMYCIN | Descriptor: | FK506 AND RAPAMYCIN-BINDING PROTEIN | Authors: | Michnick, S.W, Rosen, M.K, Wandless, T.J, Karplus, M, Schreiber, S.L. | Deposit date: | 1992-03-05 | Release date: | 1994-01-31 | Last modified: | 2024-05-01 | Method: | SOLUTION NMR | Cite: | Solution structure of FKBP, a rotamase enzyme and receptor for FK506 and rapamycin. Science, 252, 1991
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6SWA
| Mus musculus brain neocortex ribosome 60S bound to Ebp1 | Descriptor: | 28S ribosomal RNA, 5.8S ribosomal RNA, 5S ribosomal RNA, ... | Authors: | Kraushar, M.L, Sprink, T. | Deposit date: | 2019-09-20 | Release date: | 2020-09-30 | Last modified: | 2021-02-17 | Method: | ELECTRON MICROSCOPY (3.1 Å) | Cite: | Protein Synthesis in the Developing Neocortex at Near-Atomic Resolution Reveals Ebp1-Mediated Neuronal Proteostasis at the 60S Tunnel Exit. Mol.Cell, 81, 2021
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4NEW
| Crystal structure of Trypanothione Reductase from Trypanosoma cruzi in complex with inhibitor EP127 (5-{5-[1-(PYRROLIDIN-1-YL)CYCLOHEXYL]-1,3-THIAZOL-2-YL}-1H-INDOLE) | Descriptor: | 5-{5-[1-(pyrrolidin-1-yl)cyclohexyl]-1,3-thiazol-2-yl}-1H-indole, FLAVIN-ADENINE DINUCLEOTIDE, Trypanothione reductase, ... | Authors: | Persch, E, Bryson, S, Pai, E.F, Krauth-Siegel, R.L, Diederich, F. | Deposit date: | 2013-10-30 | Release date: | 2014-05-14 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Binding to large enzyme pockets: small-molecule inhibitors of trypanothione reductase. Chemmedchem, 9, 2014
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3IUX
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1BWL
| OLD YELLOW ENZYME (OYE1) DOUBLE MUTANT H191N:N194H | Descriptor: | FLAVIN MONONUCLEOTIDE, PROTEIN (NADPH DEHYDROGENASE 1) | Authors: | Brown, B.J, Deng, Z, Karplus, P.A, Massey, V. | Deposit date: | 1998-09-24 | Release date: | 1998-09-30 | Last modified: | 2023-08-09 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | On the active site of Old Yellow Enzyme. Role of histidine 191 and asparagine 194. J.Biol.Chem., 273, 1998
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5NON
| Structure of truncated Norcoclaurine Synthase from Thalictrum flavum with product mimic | Descriptor: | 4-[2-[2-(4-methoxyphenyl)ethylamino]ethyl]benzene-1,2-diol, S-norcoclaurine synthase | Authors: | Sula, A, Lichman, B.R, Pesnot, T, Ward, J.M, Hailes, H.C, Keep, N.H. | Deposit date: | 2017-04-12 | Release date: | 2017-09-27 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (1.85 Å) | Cite: | Structural Evidence for the Dopamine-First Mechanism of Norcoclaurine Synthase. Biochemistry, 56, 2017
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7B4D
| Structural basis of reactivation of oncogenic p53 mutants by a small molecule: methylene quinuclidinone (MQ). Human p53DBD-R273C/S240R double mutant bound to DNA and MQ: R273C/S240R-DNA-MQ | Descriptor: | (2~{R})-2-methyl-1-azabicyclo[2.2.2]octan-3-one, (2~{S})-2-methyl-1-azabicyclo[2.2.2]octan-3-one, Cellular tumor antigen p53, ... | Authors: | Rozenberg, H, Diskin-Posner, Y, Degtjarik, O, Shakked, Z. | Deposit date: | 2020-12-02 | Release date: | 2021-12-08 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.85 Å) | Cite: | Structural basis of reactivation of oncogenic p53 mutants by a small molecule: methylene quinuclidinone (MQ). Nat Commun, 12, 2021
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7QNO
| Crystal structure of ligand-free Danio rerio HDAC6 CD1 CD2 | Descriptor: | GLYCEROL, Histone deacetylase 6, POTASSIUM ION, ... | Authors: | Kempf, G, Langousis, G, Sanchez, J, Matthias, P. | Deposit date: | 2021-12-21 | Release date: | 2022-02-09 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2.38 Å) | Cite: | Expression and Crystallization of HDAC6 Tandem Catalytic Domains. Methods Mol.Biol., 2589, 2023
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5IBD
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7ZZO
| HDAC2 in complex with an inhibitor | Descriptor: | 2-(cyclohexylazaniumyl)ethanesulfonate, CALCIUM ION, DI(HYDROXYETHYL)ETHER, ... | Authors: | Cleasby, A, Tisi, D. | Deposit date: | 2022-05-25 | Release date: | 2022-09-21 | Last modified: | 2024-06-19 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Fragment-Based Discovery of a Novel, Brain Penetrant, Orally Active HDAC2 Inhibitor. Acs Med.Chem.Lett., 13, 2022
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2NW3
| Crystal structure of HLA-B*3508 presenting EBV peptide EPLPQGQLTAY at 1.7A | Descriptor: | Beta-2-microglobulin, EBV peptide EPLPQGQLTAY, HLA class I histocompatibility antigen, ... | Authors: | Tynan, F.E, Reid, H.H, Rossjohn, J. | Deposit date: | 2006-11-14 | Release date: | 2007-02-27 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | A T cell receptor flattens a bulged antigenic peptide presented by a major histocompatibility complex class I molecule Nat.Immunol., 8, 2007
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1AQE
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7SUV
| APE1 exonuclease substrate complex with 8oxoG opposite A | Descriptor: | DNA (5'-D(*GP*CP*TP*GP*AP*TP*GP*CP*GP*(8OG))-3'), DNA (5'-D(*GP*GP*AP*TP*CP*CP*GP*TP*CP*GP*AP*AP*CP*GP*CP*AP*TP*CP*AP*GP*C)-3'), DNA (5'-D(P*TP*CP*GP*AP*CP*GP*GP*AP*TP*CP*C)-3'), ... | Authors: | Whitaker, A.W, Freudenthal, B.D. | Deposit date: | 2021-11-18 | Release date: | 2022-09-07 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.99 Å) | Cite: | Processing oxidatively damaged bases at DNA strand breaks by APE1. Nucleic Acids Res., 50, 2022
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3FF9
| Structure of NK cell receptor KLRG1 | Descriptor: | Killer cell lectin-like receptor subfamily G member 1 | Authors: | Li, Y, Mariuzza, R.A. | Deposit date: | 2008-12-02 | Release date: | 2009-07-28 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Structure of natural killer cell receptor KLRG1 bound to E-cadherin reveals basis for MHC-independent missing self recognition. Immunity, 31, 2009
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