6AXQ
 
 | |
6AY5
 | | CREBBP bromodomain in complex with Cpd17 (5-(7-(difluoromethyl)-6-(1-methyl-1H-pyrazol-4-yl)-3,4-dihydroquinolin-1(2H)-yl)-3-methylbenzo[d]thiazol-2(3H)-one) | | Descriptor: | 5-[7-(difluoromethyl)-6-(1-methyl-1H-pyrazol-4-yl)-3,4-dihydroquinolin-1(2H)-yl]-3-methyl-1,3-benzothiazol-2(3H)-one, CREB-binding protein, DIMETHYL SULFOXIDE, ... | | Authors: | Murray, J.M. | | Deposit date: | 2017-09-07 | | Release date: | 2018-02-21 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (1.44 Å) | | Cite: | A Unique Approach to Design Potent and Selective Cyclic Adenosine Monophosphate Response Element Binding Protein, Binding Protein (CBP) Inhibitors.
J. Med. Chem., 60, 2017
|
|
4JI9
 | | JAK2 kinase (JH1 domain) in complex with TG101209 | | Descriptor: | N-tert-butyl-3-[(5-methyl-2-{[4-(4-methylpiperazin-1-yl)phenyl]amino}pyrimidin-4-yl)amino]benzenesulfonamide, Tyrosine-protein kinase JAK2 | | Authors: | Eigenbrot, C, Ultsch, M. | | Deposit date: | 2013-03-05 | | Release date: | 2013-08-07 | | Last modified: | 2013-08-21 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | 2-Amino-[1,2,4]triazolo[1,5-a]pyridines as JAK2 inhibitors.
Bioorg.Med.Chem.Lett., 23, 2013
|
|
6AY3
 | | CREBBP bromodomain in complex with Cpd16 (5-(7-(difluoromethyl)-6-(1-methyl-1H-pyrazol-4-yl)-3,4-dihydroquinolin-1(2H)-yl)-N-methyl-1H-indole-3-carboxamide) | | Descriptor: | 1,2-ETHANEDIOL, 5-[7-(difluoromethyl)-6-(1-methyl-1H-pyrazol-4-yl)-3,4-dihydroquinolin-1(2H)-yl]-N-methyl-1H-indole-3-carboxamide, CREB-binding protein, ... | | Authors: | Murray, J.M. | | Deposit date: | 2017-09-07 | | Release date: | 2018-02-21 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (1.391 Å) | | Cite: | A Unique Approach to Design Potent and Selective Cyclic Adenosine Monophosphate Response Element Binding Protein, Binding Protein (CBP) Inhibitors.
J. Med. Chem., 60, 2017
|
|
8H8Y
 | | Crystal structure of AbHheG from Acidimicrobiia bacterium | | Descriptor: | GLYCEROL, alpha/beta hydrolase | | Authors: | Zhou, C.H, Chen, X, Han, X, Liu, W.D, Wu, Q.Q, Zhu, D.M, Ma, Y.H. | | Deposit date: | 2022-10-24 | | Release date: | 2023-08-02 | | Last modified: | 2024-05-29 | | Method: | X-RAY DIFFRACTION (1.55 Å) | | Cite: | Flipping the Substrate Creates a Highly Selective Halohydrin Dehalogenase for the Synthesis of Chiral 4-Aryl-2-oxazolidinones from Readily Available Epoxides
Acs Catalysis, 13, 2023
|
|
8HQP
 | | Crystal structure of AbHheG mutant from Acidimicrobiia bacterium | | Descriptor: | AbHheG_m | | Authors: | Zhou, C.H, Chen, X, Han, X, Liu, W.D, Wu, Q.Q, Zhu, D.M, Ma, Y.H. | | Deposit date: | 2022-12-13 | | Release date: | 2023-08-02 | | Last modified: | 2024-05-29 | | Method: | X-RAY DIFFRACTION (1.62 Å) | | Cite: | Flipping the Substrate Creates a Highly Selective Halohydrin Dehalogenase for the Synthesis of Chiral 4-Aryl-2-oxazolidinones from Readily Available Epoxides
Acs Catalysis, 13, 2023
|
|
4JR4
 | | Crystal structure of Mtb DsbA (Oxidized) | | Descriptor: | Possible conserved membrane or secreted protein, SULFATE ION | | Authors: | Wang, L. | | Deposit date: | 2013-03-21 | | Release date: | 2013-07-17 | | Last modified: | 2017-11-15 | | Method: | X-RAY DIFFRACTION (2.498 Å) | | Cite: | Structure analysis of the extracellular domain reveals disulfide bond forming-protein properties of Mycobacterium tuberculosis Rv2969c.
Protein Cell, 4, 2013
|
|
7CUV
 | |
7E30
 | | Crystal structure of a novel alpha/beta hydrolase in apo form in complex with citrate | | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, CITRIC ACID, SULFATE ION, ... | | Authors: | Gao, J, Han, X, Zheng, Y.Y, Liu, W.D. | | Deposit date: | 2021-02-07 | | Release date: | 2022-02-09 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (1.56 Å) | | Cite: | Multiple Substrate Binding Mode-Guided Engineering of a Thermophilic PET Hydrolase.
Acs Catalysis, 12, 2022
|
|
7E31
 | | Crystal structure of a novel alpha/beta hydrolase mutant in apo form | | Descriptor: | TRIETHYLENE GLYCOL, alpha/beta hydrolase | | Authors: | Gao, J, Han, X, Zheng, Y.Y, Liu, W.D. | | Deposit date: | 2021-02-07 | | Release date: | 2022-02-09 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (1.38 Å) | | Cite: | Multiple Substrate Binding Mode-Guided Engineering of a Thermophilic PET Hydrolase.
Acs Catalysis, 12, 2022
|
|
6C6N
 | |
4JR6
 | | Crystal structure of DsbA from Mycobacterium tuberculosis (reduced) | | Descriptor: | Possible conserved membrane or secreted protein, SULFATE ION | | Authors: | Wang, L. | | Deposit date: | 2013-03-21 | | Release date: | 2013-07-17 | | Last modified: | 2017-11-15 | | Method: | X-RAY DIFFRACTION (1.902 Å) | | Cite: | Structure analysis of the extracellular domain reveals disulfide bond forming-protein properties of Mycobacterium tuberculosis Rv2969c.
Protein Cell, 4, 2013
|
|
4JIA
 | | JAK2 kinase (JH1 domain) in complex with compound 9 | | Descriptor: | 5-(4-methoxyphenyl)-N-[4-(4-methylpiperazin-1-yl)phenyl][1,2,4]triazolo[1,5-a]pyridin-2-amine, GLYCEROL, Tyrosine-protein kinase JAK2 | | Authors: | Eigenbrot, C, Ultsch, M. | | Deposit date: | 2013-03-05 | | Release date: | 2013-08-07 | | Last modified: | 2023-12-06 | | Method: | X-RAY DIFFRACTION (1.85 Å) | | Cite: | 2-Amino-[1,2,4]triazolo[1,5-a]pyridines as JAK2 inhibitors.
Bioorg.Med.Chem.Lett., 23, 2013
|
|
6C6R
 | |
6C6P
 | | Human squalene epoxidase (SQLE, squalene monooxygenase) structure with FAD and NB-598 | | Descriptor: | (2E)-N-({3-[([3,3'-bithiophen]-5-yl)methoxy]phenyl}methyl)-N-ethyl-6,6-dimethylhept-2-en-4-yn-1-amine, 3-[(3-CHOLAMIDOPROPYL)DIMETHYLAMMONIO]-1-PROPANESULFONATE, FLAVIN-ADENINE DINUCLEOTIDE, ... | | Authors: | Padyana, A.K, Jin, L. | | Deposit date: | 2018-01-19 | | Release date: | 2019-01-16 | | Last modified: | 2024-03-13 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Structure and inhibition mechanism of the catalytic domain of human squalene epoxidase.
Nat Commun, 10, 2019
|
|
7CY0
 | | Crystal structure of S185H mutant PET hydrolase from Ideonella sakaiensis | | Descriptor: | ACETIC ACID, Poly(ethylene terephthalate) hydrolase | | Authors: | Han, X, Liu, W.D, Zheng, Y.Y, Chen, C.C, Guo, R.T. | | Deposit date: | 2020-09-03 | | Release date: | 2021-05-26 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (1.32 Å) | | Cite: | General features to enhance enzymatic activity of poly(ethylene terephthalate) hydrolysis.
Nat Catal, 4, 2021
|
|
7VPA
 | | Crystal structure of Ple629 from marine microbial consortium | | Descriptor: | hydrolase Ple629 | | Authors: | Wu, P, Zhao, Y.P, Li, Z.S, Ingrid, M.C, Lara, P, Gao, J, Han, X, Li, Q, Basak, O, Liu, W.D, Wei, R. | | Deposit date: | 2021-10-15 | | Release date: | 2022-08-24 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (2.35 Å) | | Cite: | Molecular and Biochemical Differences of the Tandem and Cold-Adapted PET Hydrolases Ple628 and Ple629, Isolated From a Marine Microbial Consortium.
Front Bioeng Biotechnol, 10, 2022
|
|
7VMD
 | | Crystal structure of a hydrolases Ple628 from marine microbial consortium | | Descriptor: | CALCIUM ION, hydrolase Ple628 | | Authors: | Wu, P, Zhao, Y.P, Li, Z.S, Ingrid, M.C, Lara, P, Gao, J, Han, X, Li, Q, Basak, O, Liu, W.D, Wei, R. | | Deposit date: | 2021-10-08 | | Release date: | 2022-08-24 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (1.69 Å) | | Cite: | Molecular and Biochemical Differences of the Tandem and Cold-Adapted PET Hydrolases Ple628 and Ple629, Isolated From a Marine Microbial Consortium.
Front Bioeng Biotechnol, 10, 2022
|
|
7VPB
 | | Crystal structure of a novel hydrolase in apo form | | Descriptor: | 4-(2-hydroxyethylcarbamoyl)benzoic acid, ACETATE ION, plastic degrading hydrolase Ple629 | | Authors: | Wu, P, Zhao, Y.P, Li, Z.S, Ingrid, M.C, Lara, P, Gao, J, Han, X, Li, Q, Basak, O, Liu, W.D, Wei, R. | | Deposit date: | 2021-10-15 | | Release date: | 2022-10-19 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (1.68 Å) | | Cite: | Structural insight and engineering of a plastic degrading hydrolase Ple629.
Biochem.Biophys.Res.Commun., 626, 2022
|
|
6KUA
 | | Crystal structure of the nicotinamidase SaPncA from Staphylococcus aureus | | Descriptor: | Cysteine hydrolase, ZINC ION | | Authors: | Shang, F, Lan, J, Liu, W, Xu, Y, Chen, Y. | | Deposit date: | 2019-08-31 | | Release date: | 2019-10-02 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (2.104 Å) | | Cite: | Crystal structure of the nicotinamidase SaPncA from Staphylococcus aureus
To Be Published
|
|
4NSX
 | | Crystal Structure of the Utp21 tandem WD Domain | | Descriptor: | CITRATE ANION, U3 small nucleolar RNA-associated protein 21 | | Authors: | Zhang, C, Ye, K. | | Deposit date: | 2013-11-29 | | Release date: | 2014-02-19 | | Last modified: | 2024-03-20 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Structure of Utp21 Tandem WD Domain Provides Insight into the Organization of the UTPB Complex Involved in Ribosome Synthesis
Plos One, 9, 2014
|
|
7F3P
 | | Crystal structure of a nadp-dependent alcohol dehydrogenase mutant in apo form | | Descriptor: | NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, NADP-dependent isopropanol dehydrogenase, ZINC ION | | Authors: | Han, X, Bi, Y, Wei, H.L, Gao, J, Li, Q, Qu, G, Sun, Z.T, Liu, W.D. | | Deposit date: | 2021-06-16 | | Release date: | 2021-10-27 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (2.6 Å) | | Cite: | Unlocking the Stereoselectivity and Substrate Acceptance of Enzymes: Proline-Induced Loop Engineering Test.
Angew.Chem.Int.Ed.Engl., 61, 2022
|
|
4ONC
 | | Crystal Structure of Mycobacterium Tuberculosis Decaprenyl Diphosphate Synthase in Complex with BPH-640 | | Descriptor: | Decaprenyl diphosphate synthase, [hydroxy(1,1':3',1''-terphenyl-3-yl)methanediyl]bis(phosphonic acid) | | Authors: | Feng, X, Chan, H.C, Ko, T.P. | | Deposit date: | 2014-01-28 | | Release date: | 2014-04-02 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (1.83 Å) | | Cite: | Structure and Inhibition of Tuberculosinol Synthase and Decaprenyl Diphosphate Synthase from Mycobacterium tuberculosis
J.Am.Chem.Soc., 136, 2014
|
|
7F3U
 | | Cryo-EM structure of human TMEM120A in the CoASH-free state | | Descriptor: | Transmembrane protein 120A | | Authors: | Rong, Y, Gao, Y.W, Song, D.F, Zhao, Y, Liu, Z.F. | | Deposit date: | 2021-06-17 | | Release date: | 2021-06-30 | | Last modified: | 2024-06-12 | | Method: | ELECTRON MICROSCOPY (4 Å) | | Cite: | TMEM120A contains a specific coenzyme A-binding site and might not mediate poking- or stretch-induced channel activities in cells.
Elife, 10, 2021
|
|
7F3T
 | |
