3ZHT
 
 | | Crystal structure of the SucA domain of Mycobacterium smegmatis KGD, first post-decarboxylation intermediate from 2-oxoadipate | | Descriptor: | (5S)-5-{3-[(4-amino-2-methylpyrimidin-5-yl)methyl]-4-methyl-5-(2-{[(phosphonatooxy)phosphinato]oxy}ethyl)-1,3-thiazol-3-ium-2-yl}-5-hydroxypentanoate, CALCIUM ION, MAGNESIUM ION, ... | | Authors: | Wagner, T, Barilone, N, Bellinzoni, M, Alzari, P.M. | | Deposit date: | 2012-12-24 | | Release date: | 2013-11-13 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (2.15 Å) | | Cite: | A Dual Conformation of the Post-Decarboxylation Intermediate is Associated with Distinct Enzyme States in Mycobacterial Alpha-Ketoglutarate Decarboxylase (Kgd).
Biochem.J., 457, 2014
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3G0K
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2E61
 | | Solution structure of the zf-CW domain in zinc finger CW-type PWWP domain protein 1 | | Descriptor: | ZINC ION, Zinc finger CW-type PWWP domain protein 1 | | Authors: | He, F, Muto, Y, Inoue, M, Kigawa, T, Shirouzu, M, Terada, T, Yokoyama, S, RIKEN Structural Genomics/Proteomics Initiative (RSGI) | | Deposit date: | 2006-12-25 | | Release date: | 2007-06-26 | | Last modified: | 2024-05-01 | | Method: | SOLUTION NMR | | Cite: | Structural insight into the zinc finger CW domain as a histone modification reader
Structure, 18, 2010
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3PXY
 | | CDK2 in complex with inhibitor JWS648 | | Descriptor: | 2-(4,6-diamino-1,3,5-triazin-2-yl)-4-methoxyphenol, Cell division protein kinase 2, PHOSPHATE ION | | Authors: | Han, H, Betzi, S, Alam, R, Schonbrunn, E. | | Deposit date: | 2010-12-10 | | Release date: | 2011-02-16 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Discovery of a Potential Allosteric Ligand Binding Site in CDK2.
Acs Chem.Biol., 6, 2011
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5T9Z
 | | Discovery of a Potent Cyclophilin Inhibitor (Compound 6) based on Structural Simplification of Sanglifehrin A | | Descriptor: | 11-[(3-hydroxyphenyl)methyl]-18-methoxy-17-methyl-14-(propan-2-yl)-3-oxa-9,12,15,28-tetraazatricyclo[21.3.1.1~5,9~]octacosa-1(27),21,23,25-tetraene-4,10,13,16-tetrone, Peptidyl-prolyl cis-trans isomerase A | | Authors: | Appleby, T.C, Steadman, V, Pettit, S, Schmitz, U, Mackman, R.L, Schultz, B. | | Deposit date: | 2016-09-09 | | Release date: | 2017-01-25 | | Last modified: | 2024-03-06 | | Method: | X-RAY DIFFRACTION (1.4 Å) | | Cite: | Discovery of Potent Cyclophilin Inhibitors Based on the Structural Simplification of Sanglifehrin A.
J. Med. Chem., 60, 2017
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2YCT
 | | Tyrosine phenol-lyase from Citrobacter freundii in complex with pyridine N-oxide and the quinonoid intermediate formed with L-alanine | | Descriptor: | (2E)-2-{[(Z)-{3-HYDROXY-2-METHYL-5-[(PHOSPHONOOXY)METHYL]PYRIDIN-4(1H)-YLIDENE}METHYL]IMINO}PROPANOIC ACID, 3,6,9,12,15,18-HEXAOXAICOSANE-1,20-DIOL, PHOSPHATE ION, ... | | Authors: | Milic, D, Demidkina, T.V, Faleev, N.G, Phillips, R.S, Matkovic-Calogovic, D, Antson, A.A. | | Deposit date: | 2011-03-16 | | Release date: | 2011-09-14 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (2.25 Å) | | Cite: | Crystallographic Snapshots of Tyrosine Phenol-Lyase Show that Substrate Strain Plays a Role in C-C Bond Cleavage
J.Am.Chem.Soc., 133, 2011
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3ZCV
 | | Rabbit muscle glycogen phosphorylase b in complex with N-(indol-2- carbonyl)-N-beta-D-glucopyranosyl urea determined at 1.8 A resolution | | Descriptor: | GLYCOGEN PHOSPHORYLASE, MUSCLE FORM, N-[(1H-indol-2-ylcarbonyl)carbamoyl]-beta-D-glucopyranosylamine, ... | | Authors: | Chrysina, E.D, Nagy, V, Felfoldi, N, Konya, B, Telepo, K, Praly, J.P, Docsa, T, Gergely, P, Alexacou, K.M, Hayes, J.M, Konstantakaki, M, Kardakaris, R, Leonidas, D.D, Zographos, S.E, Oikonomakos, N.G, Somsak, L. | | Deposit date: | 2012-11-21 | | Release date: | 2013-12-11 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (1.83 Å) | | Cite: | Synthesis, Kinetic, Computational and Crystallographic Evaluation of N-Acyl-N-Beta-D- Glucopyranosyl)Ureas, Nanomolar Glucose Analogue Inhibitors of Glycogen Phosphorylase, Potential Antidiabetic Agents
To be Published
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6CFG
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5T5G
 | | human SETD8 in complex with MS2177 | | Descriptor: | 7-(2-aminoethoxy)-6-methoxy-2-(pyrrolidin-1-yl)-N-[5-(pyrrolidin-1-yl)pentyl]quinazolin-4-amine, N-lysine methyltransferase KMT5A, UNKNOWN ATOM OR ION | | Authors: | Yu, W, Tempel, W, Babault, N, Ma, A, Butler, K.V, Jin, J, Arrowsmith, C.H, Bountra, C, Edwards, A.M, Brown, P.J, Structural Genomics Consortium (SGC) | | Deposit date: | 2016-08-30 | | Release date: | 2016-09-28 | | Last modified: | 2024-10-16 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Structure-Based Design of a Covalent Inhibitor of the SET Domain-Containing Protein 8 (SETD8) Lysine Methyltransferase.
J. Med. Chem., 59, 2016
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2ARI
 | | Solution structure of micelle-bound fusion domain of HIV-1 gp41 | | Descriptor: | Envelope polyprotein GP160 | | Authors: | Jaroniec, C.P, Kaufman, J.D, Stahl, S.J, Viard, M, Blumenthal, R, Wingfield, P.T, Bax, A. | | Deposit date: | 2005-08-19 | | Release date: | 2005-12-20 | | Last modified: | 2024-05-22 | | Method: | SOLUTION NMR | | Cite: | Structure and Dynamics of Micelle-Associated Human Immunodeficiency Virus gp41 Fusion Domain.
Biochemistry, 44, 2005
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5GY1
 | | Crystal structure of endoglucanase CelQ from Clostridium thermocellum complexed with cellotriose | | Descriptor: | BROMIDE ION, CALCIUM ION, CHLORIDE ION, ... | | Authors: | Jeng, W.Y, Liu, C.I, Wang, A.H.J. | | Deposit date: | 2016-09-21 | | Release date: | 2017-09-27 | | Last modified: | 2024-10-30 | | Method: | X-RAY DIFFRACTION (1.99 Å) | | Cite: | Crystal Structures of the C-Terminally Truncated Endoglucanase Cel9Q from Clostridium thermocellum Complexed with Cellodextrins and Tris.
Chembiochem, 20, 2019
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3U7Y
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2AVD
 | | Crystal Structure of Human Catechol-O-methyltransferase domain containing 1 | | Descriptor: | Catechol-O-methyltransferase, S-ADENOSYLMETHIONINE | | Authors: | Min, J.R, Wu, H, Zeng, H, Loppnau, P, Sundstrom, M, Arrowsmith, C.H, Edwards, A.M, Bochkarev, A, Plotnikov, A.N, Structural Genomics Consortium (SGC) | | Deposit date: | 2005-08-29 | | Release date: | 2005-09-13 | | Last modified: | 2023-08-23 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | The Crystal Structure of Human Catechol-O-methyltransferase
domain containing 1 in complex with S-adenosyl-L-methionine
To be Published
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7HCY
 | | PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with AVI-0003701 | | Descriptor: | (1R)-1-[(2R)-1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)pyrrolidin-2-yl]ethane-1,2-diol, CHLORIDE ION, Non-structural protein 3, ... | | Authors: | Correy, G.J, Fraser, J.S. | | Deposit date: | 2024-08-15 | | Release date: | 2025-06-11 | | Method: | X-RAY DIFFRACTION (1.02 Å) | | Cite: | Exploration of structure-activity relationships for the SARS-CoV-2 macrodomain from shape-based fragment linking and active learning.
Sci Adv, 11, 2025
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1R09
 | | HUMAN RHINOVIRUS 14 COMPLEXED WITH ANTIVIRAL COMPOUND R 61837 | | Descriptor: | 3-METHOXY-6-[4-(3-METHYLPHENYL)-1-PIPERAZINYL]PYRIDAZINE, DIMETHYL SULFOXIDE, HUMAN RHINOVIRUS 14 COAT PROTEIN (SUBUNIT VP1), ... | | Authors: | Chapman, M.S, Minor, I, Rossmann, M.G, Diana, G.D, Andries, K. | | Deposit date: | 1990-05-04 | | Release date: | 1991-10-15 | | Last modified: | 2024-05-22 | | Method: | X-RAY DIFFRACTION (2.9 Å) | | Cite: | Human rhinovirus 14 complexed with antiviral compound R 61837.
J.Mol.Biol., 217, 1991
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7HEA
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4LAY
 | | Crystal Structure Analysis of FKBP52, Complex with I63 | | Descriptor: | Peptidyl-prolyl cis-trans isomerase FKBP4, {3-[(1R)-3-(3,4-dimethoxyphenyl)-1-({[(2S)-1-(3,3-dimethyl-2-oxopentanoyl)piperidin-2-yl]carbonyl}oxy)propyl]phenoxy}acetic acid | | Authors: | Bracher, A, Kozany, C, Haehle, A, Wild, P, Zacharias, M, Hausch, F. | | Deposit date: | 2013-06-20 | | Release date: | 2013-08-21 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Crystal Structures of the Free and Ligand-Bound FK1-FK2 Domain Segment of FKBP52 Reveal a Flexible Inter-Domain Hinge.
J.Mol.Biol., 425, 2013
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7HF2
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3MSW
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7XHE
 | | Crystal structure of CBP bromodomain liganded with CCS151 | | Descriptor: | (6S)-6-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[(3R)-1-methylsulfonylpyrrolidin-3-yl]benzimidazol-2-yl]-1-(3-fluoranyl-4-methoxy-phenyl)piperidin-2-one, 1,2-ETHANEDIOL, CREB-binding protein | | Authors: | Xu, H, Xiang, Q, Wang, C, Zhang, C, Luo, G, Wu, X, Zhang, Y, Xu, Y. | | Deposit date: | 2022-04-08 | | Release date: | 2022-07-27 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (1.59 Å) | | Cite: | Structural insights revealed by the cocrystal structure of CCS1477 in complex with CBP bromodomain
Biochem.Biophys.Res.Commun., 623, 2022
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2YKU
 | | Structural Determinants of the Beta-Selectivity of a Bacterial Aminotransferase | | Descriptor: | 1,2-ETHANEDIOL, BETA-TRANSAMINASE, GLYCEROL, ... | | Authors: | Wybenga, G.G, Crismaru, C.G, Janssen, D.B, Dijkstra, B.W. | | Deposit date: | 2011-05-30 | | Release date: | 2012-05-30 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Structural Determinants of the Beta-Selectivity of a Bacterial Aminotransferase.
J.Biol.Chem., 287, 2012
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3PKV
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4DCX
 | | X-ray structure of NikA in complex with Fe(1R,2R)-N,N'-Bis(2-pyridylmethyl)-N,N'-dicarboxymethyl-1,2-cyclohexanediamine | | Descriptor: | ACETATE ION, GLYCEROL, Nickel-binding periplasmic protein, ... | | Authors: | Cherrier, M.V, Girgenti, E, Amara, P, Iannello, M, Marchi-Delapierre, C, Fontecilla-Camps, J.C, Menage, S, Cavazza, C. | | Deposit date: | 2012-01-18 | | Release date: | 2012-05-09 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | The structure of the periplasmic nickel-binding protein NikA provides insights for artificial metalloenzyme design.
J.Biol.Inorg.Chem., 17, 2012
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2YPH
 | | Catalytic domain of mouse 2',3'-cyclic nucleotide 3'- phosphodiesterase, with mutation H230S, crystallized with 2',3-(RP)- cyclic-AMPS | | Descriptor: | 2', 3'-CYCLIC-NUCLEOTIDE 3'-PHOSPHODIESTERASE, ACETATE ION, ... | | Authors: | Myllykoski, M, Raasakka, A, Lehtimaki, M, Han, H, Kursula, P. | | Deposit date: | 2012-10-30 | | Release date: | 2013-07-10 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Crystallographic Analysis of the Reaction Cycle of 2',3'-Cyclic Nucleotide 3'-Phosphodiesterase, a Unique Member of the 2H Phosphoesterase Family
J.Mol.Biol., 425, 2013
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7XI0
 | | Crystal structure of CBP bromodomain liganded with CCS150 | | Descriptor: | (6S)-1-(3-chloranyl-4-methoxy-phenyl)-6-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[(3R)-1-methylsulfonylpyrrolidin-3-yl]benzimidazol-2-yl]piperidin-2-one, CREB-binding protein, GLYCEROL | | Authors: | Xu, H, Xiang, Q, Wang, C, Zhang, C, Luo, G, Wu, X, Zhang, Y, Xu, Y. | | Deposit date: | 2022-04-11 | | Release date: | 2022-07-27 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (1.62 Å) | | Cite: | Structural insights revealed by the cocrystal structure of CCS1477 in complex with CBP bromodomain
Biochem.Biophys.Res.Commun., 623, 2022
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