4UFB
 
 | | Crystal structure of the Angiotensin-1 converting enzyme N-domain in complex with Lys-Pro | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ANGIOTENSIN-CONVERTING ENZYME, CHLORIDE ION, ... | | Authors: | Masuyer, G, Douglas, R.G, Sturrock, E.D, Acharya, K.R. | | Deposit date: | 2015-03-16 | | Release date: | 2015-10-07 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Structural Basis of Ac-Sdkp Hydrolysis by Angiotensin-I Converting Enzyme
Sci.Rep., 5, 2015
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4UFA
 | | Crystal structure of the Angiotensin-1 converting enzyme N-domain in complex with Ac-SD | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ANGIOTENSIN-CONVERTING ENZYME, ... | | Authors: | Masuyer, G, Douglas, R.G, Sturrock, E.D, Acharya, K.R. | | Deposit date: | 2015-03-16 | | Release date: | 2015-10-07 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Structural Basis of Ac-Sdkp Hydrolysis by Angiotensin-I Converting Enzyme
Sci.Rep., 5, 2015
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8SMC
 | | Cryo-EM structure of LRRK2 bound with type-I inhibitor DNL201 | | Descriptor: | 2-methyl-2-(3-methyl-4-{[4-(methylamino)-5-(trifluoromethyl)pyrimidin-2-yl]amino}-1H-pyrazol-1-yl)propanenitrile, GUANOSINE-5'-DIPHOSPHATE, non-specific serine/threonine protein kinase | | Authors: | Sun, J, Zhu, H. | | Deposit date: | 2023-04-26 | | Release date: | 2024-01-03 | | Method: | ELECTRON MICROSCOPY (4.02 Å) | | Cite: | Rab29-dependent asymmetrical activation of leucine-rich repeat kinase 2.
Science, 382, 2023
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6K1L
 | | E53A mutant of a putative cystathionine gamma-lyase | | Descriptor: | Cystathionine gamma-lyase, PYRIDOXAL-5'-PHOSPHATE, PYRUVIC ACID | | Authors: | Chen, S, Wang, Y. | | Deposit date: | 2019-05-10 | | Release date: | 2020-05-13 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (2.46 Å) | | Cite: | Structural characterization of cystathionine gamma-lyase smCSE enables aqueous metal quantum dot biosynthesis.
Int.J.Biol.Macromol., 174, 2021
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6TOU
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4UIY
 | | N-TERMINAL BROMODOMAIN OF HUMAN BRD4 WITH N-(1,1-dioxo-1-thian-4-yl)- 5-methyl-4-oxo-7-3-(trifluoromethyl)phenyl-4H,5H-thieno-3,2-c- pyridine-2-carboximidamide | | Descriptor: | 1,2-ETHANEDIOL, BROMODOMAIN-CONTAINING PROTEIN 4, N-[1,1-bis(oxidanylidene)thian-4-yl]-5-methyl-4-oxidanylidene-7-[3-(trifluoromethyl)phenyl]thieno[3,2-c]pyridine-2-carboximidamide | | Authors: | Chung, C, Theodoulou, N.T, Bamborough, P, Humphreys, P.G. | | Deposit date: | 2015-04-03 | | Release date: | 2015-04-22 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (1.3 Å) | | Cite: | The Discovery of I-Brd9, a Selective Cell Active Chemical Probe for Bromodomain Containing Protein 9 Inhibition.
J.Med.Chem., 59, 2016
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5XWZ
 | | Crystal structure of a lactonase from Cladophialophora bantiana | | Descriptor: | GLYCEROL, MALONATE ION, SODIUM ION, ... | | Authors: | Zheng, Y.Y, Liu, W.T, Liu, W.D, Chen, C.C, Guo, R.T. | | Deposit date: | 2017-06-30 | | Release date: | 2018-05-02 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (1.75 Å) | | Cite: | Characterization and crystal structure of a novel zearalenone hydrolase from Cladophialophora bantiana
Acta Crystallogr F Struct Biol Commun, 73, 2017
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5X4Q
 | | Crystal structure of the BCL6 BTB domain in complex with Compound 7 | | Descriptor: | 1,2-ETHANEDIOL, 5-[[5-chloranyl-2-(pyridin-3-ylmethylamino)pyrimidin-4-yl]amino]-1,3-dihydroindol-2-one, B-cell lymphoma 6 protein, ... | | Authors: | Sogabe, S, Ida, K, Lane, W, Snell, G. | | Deposit date: | 2017-02-13 | | Release date: | 2017-05-24 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Discovery of a B-Cell Lymphoma 6 Protein-Protein Interaction Inhibitor by a Biophysics-Driven Fragment-Based Approach
J. Med. Chem., 60, 2017
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4UIW
 | | BROMODOMAIN OF HUMAN BRD9 WITH N-(1,1-dioxo-1-thian-4-yl)-5-ethyl-4- oxo-7-3-(trifluoromethyl)phenyl-4H,5H-thieno-3,2-c-pyridine-2- carboximidamide | | Descriptor: | 1,2-ETHANEDIOL, BROMODOMAIN-CONTAINING PROTEIN 9, N'-[1,1-bis(oxidanylidene)thian-4-yl]-5-ethyl-4-oxidanylidene-7-[3-(trifluoromethyl)phenyl]thieno[3,2-c]pyridine-2-carboximidamide | | Authors: | Chung, C, Theodoulou, N.T, Bamborough, P, Humphreys, P.G. | | Deposit date: | 2015-04-03 | | Release date: | 2015-04-22 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (1.73 Å) | | Cite: | The Discovery of I-Brd9, a Selective Cell Active Chemical Probe for Bromodomain Containing Protein 9 Inhibition.
J.Med.Chem., 59, 2016
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6AAJ
 | | Crystal structure of JAK2 in complex with peficitinib | | Descriptor: | 4-[[(1S,3R)-5-oxidanyl-2-adamantyl]amino]-1H-pyrrolo[2,3-b]pyridine-5-carboxamide, Tyrosine-protein kinase JAK2 | | Authors: | Amano, Y, Tateishi, Y. | | Deposit date: | 2018-07-18 | | Release date: | 2018-08-15 | | Last modified: | 2023-03-08 | | Method: | X-RAY DIFFRACTION (2.37 Å) | | Cite: | Discovery and structural characterization of peficitinib (ASP015K) as a novel and potent JAK inhibitor
Bioorg. Med. Chem., 26, 2018
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6ABT
 | | Crystal structure of transcription factor from Listeria monocytogenes | | Descriptor: | PadR family transcriptional regulator | | Authors: | Lee, C, Hong, M. | | Deposit date: | 2018-07-23 | | Release date: | 2019-06-05 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (2.8 Å) | | Cite: | Structure-based molecular characterization and regulatory mechanism of the LftR transcription factor from Listeria monocytogenes: Conformational flexibilities and a ligand-induced regulatory mechanism.
Plos One, 14, 2019
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5XWR
 | | Crystal Structure of RBBP4-peptide complex | | Descriptor: | Histone-binding protein RBBP4, MET-SER-ARG-ARG-LYS-GLN-ALA-LYS-PRO-GLN-HIS-ILE | | Authors: | Jobichen, C, Lui, B.H, Daniel, G.T, Sivaraman, J. | | Deposit date: | 2017-06-30 | | Release date: | 2018-07-11 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (2.69 Å) | | Cite: | Targeting cancer addiction for SALL4 by shifting its transcriptome with a pharmacologic peptide.
Proc. Natl. Acad. Sci. U.S.A., 115, 2018
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6KGT
 | | Crystal structure of Penicillin binding protein 3 (PBP3) from Mycobacterium tuerculosis, complexed with faropenem | | Descriptor: | (2R)-2-[(1S,2R)-1-carboxy-2-hydroxypropyl]-5-[(2R)-oxolan-2-yl]-2,3-dihydro-1,3-thiazole-4-carboxylic acid, COBALT (II) ION, Penicillin-binding protein PbpB | | Authors: | Lu, Z.K, Zhang, A.L, Liu, X, Guddat, L, Yang, H.T, Rao, Z.H. | | Deposit date: | 2019-07-12 | | Release date: | 2020-03-11 | | Method: | X-RAY DIFFRACTION (2.308 Å) | | Cite: | Structures ofMycobacterium tuberculosisPenicillin-Binding Protein 3 in Complex with Fivebeta-Lactam Antibiotics Reveal Mechanism of Inactivation.
Mol.Pharmacol., 97, 2020
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1CNM
 | | ENHANCEMENT OF CATALYTIC EFFICIENCY OF PROTEINASE K THROUGH EXPOSURE TO ANHYDROUS ORGANIC SOLVENT AT 70 DEGREES CELSIUS | | Descriptor: | ACETONITRILE, CALCIUM ION, PROTEIN (PROTEINASE K) | | Authors: | Gupta, M.N, Tyagi, R, Sharma, S, Karthikeyan, S, Singh, T.P. | | Deposit date: | 1999-05-20 | | Release date: | 1999-05-27 | | Last modified: | 2023-08-09 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Enhancement of catalytic efficiency of enzymes through exposure to anhydrous organic solvent at 70 degrees C. Three-dimensional structure of a treated serine proteinase at 2.2 A resolution.
Proteins, 39, 2000
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6ABS
 | | Actin interacting protein 5 (Aip5, mutant) | | Descriptor: | Actin binding protein, PENTAETHYLENE GLYCOL, TRIETHYLENE GLYCOL | | Authors: | Sun, J, Ying, X, Toh, J, Hong, W, Miao, Y, Gao, Y.G. | | Deposit date: | 2018-07-23 | | Release date: | 2019-11-20 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Polarisome scaffolder Spa2-mediated macromolecular condensation of Aip5 for actin polymerization.
Nat Commun, 10, 2019
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6ACG
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6A8G
 | | The crystal structure of muPAin-1-IG in complex with muPA-SPD at pH8.5 | | Descriptor: | PHOSPHATE ION, Urokinase-type plasminogen activator chain B, muPAin-1-IG | | Authors: | Wang, D, Yang, Y.S, Jiang, L.G, Huang, M.D, Li, J.Y, Andreasen, P.A, Xu, P, Chen, Z. | | Deposit date: | 2018-07-08 | | Release date: | 2019-02-20 | | Last modified: | 2024-10-16 | | Method: | X-RAY DIFFRACTION (2.53 Å) | | Cite: | Suppression of Tumor Growth and Metastases by Targeted Intervention in Urokinase Activity with Cyclic Peptides.
J.Med.Chem., 62, 2019
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1CZI
 | | CHYMOSIN COMPLEX WITH THE INHIBITOR CP-113972 | | Descriptor: | CHYMOSIN, CP-113972 (NORSTATINE-S-METHYL CYSTEINE-IODO-PHENYLALANINE-PROLINE) | | Authors: | Groves, M.R, Dhanaraj, V, Pitts, J.E, Badasso, M, Hoover, D, Nugent, P, Blundell, T.L. | | Deposit date: | 1997-01-15 | | Release date: | 1997-04-01 | | Last modified: | 2023-11-15 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | A 2.3 A resolution structure of chymosin complexed with a reduced bond inhibitor shows that the active site beta-hairpin flap is rearranged when compared with the native crystal structure.
Protein Eng., 11, 1998
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6ACJ
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8PFP
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8PFL
 | | Crystal structure of WRN helicase domain in complex with 3 | | Descriptor: | 2-[2-(3,6-dihydro-2~{H}-pyran-4-yl)-5-ethyl-7-oxidanylidene-6-[4-(3-oxidanylpyridin-2-yl)carbonylpiperazin-1-yl]-[1,2,4]triazolo[1,5-a]pyrimidin-4-yl]-~{N}-[2-methyl-4-(trifluoromethyl)phenyl]ethanamide, Bifunctional 3'-5' exonuclease/ATP-dependent helicase WRN, ZINC ION | | Authors: | Scheufler, C, Meyer, M, Moebitz, H. | | Deposit date: | 2023-06-16 | | Release date: | 2024-04-24 | | Last modified: | 2024-05-22 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Discovery of WRN inhibitor HRO761 with synthetic lethality in MSI cancers.
Nature, 629, 2024
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6A54
 | | Crystal structure of DddK mutant Y64A | | Descriptor: | MANGANESE (II) ION, Novel protein with potential Cupin domain | | Authors: | Zhang, Y.Z, Li, C.Y. | | Deposit date: | 2018-06-21 | | Release date: | 2019-02-20 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Structure-Function Analysis Indicates that an Active-Site Water Molecule Participates in Dimethylsulfoniopropionate Cleavage by DddK.
Appl. Environ. Microbiol., 85, 2019
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4UIX
 | | N-TERMINAL BROMODOMAIN OF HUMAN BRD4 WITH 7-(3,4-dimethoxyphenyl)-N-(1,1-dioxo-1-thian-4-yl)-5-methyl-4-oxo-4H,5H-thieno-3,2-c-pyridine-2- carboxamide | | Descriptor: | 1,2-ETHANEDIOL, BROMODOMAIN-CONTAINING PROTEIN 4, CALCIUM ION, ... | | Authors: | Chung, C, Theodoulou, N.T, Bamborough, P, Humphreys, P.G. | | Deposit date: | 2015-04-03 | | Release date: | 2015-04-22 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (1.58 Å) | | Cite: | The Discovery of I-Brd9, a Selective Cell Active Chemical Probe for Bromodomain Containing Protein 9 Inhibition.
J.Med.Chem., 59, 2016
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4UIT
 | | BROMODOMAIN OF HUMAN BRD9 WITH 7-(3,4-dimethoxyphenyl)-2-(4- methanesulfonylpiperazine-1-carbonyl)-5-methyl-4H,5H-thieno-3,2-c- pyridin-4-one | | Descriptor: | 7-(3,4-dimethoxyphenyl)-5-methyl-2-(4-methylsulfonylpiperazin-1-yl)carbonyl-thieno[3,2-c]pyridin-4-one, BROMODOMAIN-CONTAINING PROTEIN 9 | | Authors: | Chung, C, Theodoulou, N.T, Bamborough, P, Humphreys, P.G. | | Deposit date: | 2015-04-03 | | Release date: | 2015-04-22 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (1.3 Å) | | Cite: | The Discovery of I-Brd9, a Selective Cell Active Chemical Probe for Bromodomain Containing Protein 9 Inhibition.
J.Med.Chem., 59, 2016
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4UIZ
 | | N-TERMINAL BROMODOMAIN OF HUMAN BRD4 WITH 7-(3,4-dimethoxyphenyl)-2-(4-methanesulfonylpiperazine-1-carbonyl)-5-methyl-4H,5H-thieno-3,2-c- pyridin-4-one | | Descriptor: | 1,2-ETHANEDIOL, 7-(3,4-dimethoxyphenyl)-5-methyl-2-(4-methylsulfonylpiperazin-1-yl)carbonyl-thieno[3,2-c]pyridin-4-one, BROMODOMAIN-CONTAINING PROTEIN 4 | | Authors: | Chung, C, Theodoulou, N.T, Bamborough, P, Humphreys, P.G. | | Deposit date: | 2015-04-03 | | Release date: | 2015-04-22 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (1.19 Å) | | Cite: | The Discovery of I-Brd9, a Selective Cell Active Chemical Probe for Bromodomain Containing Protein 9 Inhibition.
J.Med.Chem., 59, 2016
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