7OLS
| MerTK kinase domain with type 1.5 inhibitor containing a di-methyl pyrazole group | Descriptor: | 5-[4-(1,5-dimethylpyrazol-4-yl)-2-methyl-phenyl]-~{N}-(imidazo[1,2-a]pyridin-6-ylmethyl)-~{N}-methyl-1,3,4-oxadiazol-2-amine, CHLORIDE ION, DIMETHYL SULFOXIDE, ... | Authors: | Pflug, A, Schimpl, M, McCoull, W, Nissink, J.W.M, Winter-Holt, J. | Deposit date: | 2021-05-20 | Release date: | 2021-09-15 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.89 Å) | Cite: | Optimization of an Imidazo[1,2- a ]pyridine Series to Afford Highly Selective Type I1/2 Dual Mer/Axl Kinase Inhibitors with In Vivo Efficacy. J.Med.Chem., 64, 2021
|
|
7OLV
| MerTK kinase domain with type 1.5 inhibitor containing a di-methyl, cyano pyrazole group | Descriptor: | 4-[4-[5-[imidazo[1,2-a]pyridin-6-ylmethyl(methyl)amino]-1,3,4-oxadiazol-2-yl]-3-methyl-phenyl]-2,5-dimethyl-pyrazole-3-carbonitrile, CHLORIDE ION, DIMETHYL SULFOXIDE, ... | Authors: | Pflug, A, Schimpl, M, McCoull, W, Nissink, J.W.M, Winter-Holt, J. | Deposit date: | 2021-05-20 | Release date: | 2021-09-15 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2.13 Å) | Cite: | Optimization of an Imidazo[1,2- a ]pyridine Series to Afford Highly Selective Type I1/2 Dual Mer/Axl Kinase Inhibitors with In Vivo Efficacy. J.Med.Chem., 64, 2021
|
|
7PFP
| Full-length cryo-EM structure of the native human uromodulin (UMOD)/Tamm-Horsfall protein (THP) filament | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, Uromodulin, alpha-D-mannopyranose-(1-2)-alpha-D-mannopyranose-(1-3)-[alpha-D-mannopyranose-(1-3)-[alpha-D-mannopyranose-(1-6)]alpha-D-mannopyranose-(1-6)]beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | Authors: | Jovine, L, Xu, C, Stsiapanava, A, Carroni, M, Tunyasuvunakool, K, Jumper, J, Wu, B. | Deposit date: | 2021-08-11 | Release date: | 2022-03-16 | Last modified: | 2022-03-30 | Method: | ELECTRON MICROSCOPY (6.1 Å) | Cite: | Structure of the decoy module of human glycoprotein 2 and uromodulin and its interaction with bacterial adhesin FimH. Nat.Struct.Mol.Biol., 29, 2022
|
|
7WCF
| Crystal structure of the kinase with AMP-PNP | Descriptor: | HipA_C domain-containing protein, MAGNESIUM ION, PHOSPHOMETHYLPHOSPHONIC ACID ADENYLATE ESTER | Authors: | Ouyang, S.Y, Zhen, X. | Deposit date: | 2021-12-20 | Release date: | 2022-06-29 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (1.3636 Å) | Cite: | Molecular mechanism of toxin neutralization in the HipBST toxin-antitoxin system of Legionella pneumophila. Nat Commun, 13, 2022
|
|
7WAS
| |
7WAQ
| SbSOMT in complex with resveratrol | Descriptor: | 1,2-ETHANEDIOL, RESVERATROL, stilbene O-methyltransferase | Authors: | Pow, K.C, Hao, Q. | Deposit date: | 2021-12-14 | Release date: | 2022-12-21 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.56 Å) | Cite: | Regioselective stilbene O-methylations in Saccharinae grasses. Nat Commun, 14, 2023
|
|
7WAR
| |
7SQ1
| BG505.MD39TS Env trimer in complex with Fab from antibody C05 | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, C05 Fab Light chain, ... | Authors: | Moore, A, Du, J, Xu, Z, Walker, S, Kulp, D.W, Pallesen, J. | Deposit date: | 2021-11-04 | Release date: | 2022-06-22 | Last modified: | 2022-12-07 | Method: | ELECTRON MICROSCOPY (3.8 Å) | Cite: | Induction of tier-2 neutralizing antibodies in mice with a DNA-encoded HIV envelope native like trimer. Nat Commun, 13, 2022
|
|
4WRN
| Crystal structure of the polymerization region of human uromodulin/Tamm-Horsfall protein | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Maltose-binding periplasmic protein,Uromodulin, ZINC ION, ... | Authors: | Bokhove, M, De Sanctis, D, Jovine, L. | Deposit date: | 2014-10-24 | Release date: | 2016-01-27 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (3.2 Å) | Cite: | A structured interdomain linker directs self-polymerization of human uromodulin. Proc.Natl.Acad.Sci.USA, 113, 2016
|
|
5I5X
| X-RAY CRYSTAL STRUCTURE AT 1.65A RESOLUTION OF HUMAN MITOCHONDRIAL BRANCHED CHAIN AMINOTRANSFERASE (BCATM) COMPLEXED WITH A THIAZOLE COMPOUND AND PMP COFACTOR. | Descriptor: | 1,2-ETHANEDIOL, 4'-DEOXY-4'-AMINOPYRIDOXAL-5'-PHOSPHATE, 5-methyl-4-oxo-N-(1,3,4-thiadiazol-2-yl)-3,4-dihydrothieno[2,3-d]pyrimidine-6-carboxamide, ... | Authors: | Somers, D.O. | Deposit date: | 2016-02-15 | Release date: | 2016-03-23 | Last modified: | 2024-05-01 | Method: | X-RAY DIFFRACTION (1.65 Å) | Cite: | Structurally Diverse Mitochondrial Branched Chain Aminotransferase (BCATm) Leads with Varying Binding Modes Identified by Fragment Screening. J.Med.Chem., 59, 2016
|
|
5I5W
| |
5I5U
| X-RAY CRYSTAL STRUCTURE AT 2.40A RESOLUTION OF HUMAN MITOCHONDRIAL BRANCHED CHAIN AMINOTRANSFERASE (BCATM) COMPLEXED WITH A TETRAHYDRONAPHTHALENYL COMPOUND AND AN INTERNAL ALDIMINE LINKED PLP COFACTOR. | Descriptor: | 1,2-ETHANEDIOL, 2-hydroxy-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide, Branched-chain-amino-acid aminotransferase, ... | Authors: | Somers, D.O. | Deposit date: | 2016-02-15 | Release date: | 2016-03-23 | Last modified: | 2024-05-01 | Method: | X-RAY DIFFRACTION (2.404 Å) | Cite: | Structurally Diverse Mitochondrial Branched Chain Aminotransferase (BCATm) Leads with Varying Binding Modes Identified by Fragment Screening. J.Med.Chem., 59, 2016
|
|
5MZK
| Pseudomonas fluorescens kynurenine 3-monooxygenase (KMO) in complex with 3-[5-chloro-6-(cyclobutylmethoxy)-2-oxo-2,3-dihydro-1,3-benzoxazol-3-yl]propanoic acid | Descriptor: | 3-[5-chloro-6-(cyclobutylmethoxy)-2-oxo-2,3-dihydro-1,3-benzoxazol-3-yl]propanoic acid, CHLORIDE ION, FLAVIN-ADENINE DINUCLEOTIDE, ... | Authors: | Rowland, P. | Deposit date: | 2017-01-31 | Release date: | 2017-04-19 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (1.82 Å) | Cite: | Development of a Series of Kynurenine 3-Monooxygenase Inhibitors Leading to a Clinical Candidate for the Treatment of Acute Pancreatitis. J. Med. Chem., 60, 2017
|
|
5MZC
| |
5MZI
| Pseudomonas fluorescens kynurenine 3-monooxygenase (KMO) in complex with 3-(5-chloro-6-cyclopropoxy-2-oxo-2,3-dihydro-1,3-benzoxazol-3-yl)propanoic acid | Descriptor: | 3-(5-chloro-6-cyclopropoxy-2-oxo-2,3-dihydro-1,3-benzoxazol-3-yl)propanoic acid, CHLORIDE ION, FLAVIN-ADENINE DINUCLEOTIDE, ... | Authors: | Rowland, P. | Deposit date: | 2017-01-31 | Release date: | 2017-04-19 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (1.71 Å) | Cite: | Development of a Series of Kynurenine 3-Monooxygenase Inhibitors Leading to a Clinical Candidate for the Treatment of Acute Pancreatitis. J. Med. Chem., 60, 2017
|
|
4R5P
| Crystal structure of HIV-1 reverse transcriptase (RT) with DNA and a nucleoside triphosphate mimic alpha-carboxy nucleoside phosphonate inhibitor | Descriptor: | 5'-D(*CP*AP*GP*TP*CP*CP*CP*TP*GP*TP*TP*CP*GP*GP*(MRG)P*CP*GP*CP*CP*G)-3', 5'-D(*TP*GP*GP*AP*CP*GP*GP*CP*GP*CP*CP*CP*GP*AP*AP*CP*AP*GP*GP*GP*AP*CP*TP*G)-3', HIV-1 reverse transcriptase, ... | Authors: | Das, K, Martinez, S.E, Arnold, E. | Deposit date: | 2014-08-21 | Release date: | 2015-03-11 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (2.894 Å) | Cite: | Alpha-carboxy nucleoside phosphonates as universal nucleoside triphosphate mimics. Proc.Natl.Acad.Sci.USA, 112, 2015
|
|
6G8D
| |
6G9G
| |
6G8E
| |
6PQB
| |
6FR2
| Soluble epoxide hydrolase in complex with LK864 | Descriptor: | 1-[(4~{S})-9-propan-2-ylsulfonyl-1-oxa-9-azaspiro[5.5]undecan-4-yl]-3-[[4-(trifluoromethyloxy)phenyl]methyl]urea, Bifunctional epoxide hydrolase 2, MAGNESIUM ION | Authors: | Kramer, J.S, Pogoryelov, D, Krasavin, M, Proschak, E. | Deposit date: | 2018-02-15 | Release date: | 2018-09-12 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (2.262 Å) | Cite: | Discovery of polar spirocyclic orally bioavailable urea inhibitors of soluble epoxide hydrolase. Bioorg. Chem., 80, 2018
|
|
6G8C
| |
5BWX
| |
5BWR
| |
5BWU
| X-RAY CRYSTAL STRUCTURE AT 2.17A RESOLUTION OF HUMAN MITOCHONDRIAL BRANCHED CHAIN AMINOTRANSFERASE (BCATM) COMPLEXED WITH A TRIAZOLOPYRIMIDINONE COMPOUND AND AN INTERNAL ALDIMINE LINKED PLP COFACTOR. | Descriptor: | 1,2-ETHANEDIOL, 2-[(4-bromobenzyl)amino]-5-propyl[1,2,4]triazolo[1,5-a]pyrimidin-7(4H)-one, Branched-chain-amino-acid aminotransferase, ... | Authors: | Somers, D.O. | Deposit date: | 2015-06-08 | Release date: | 2015-07-01 | Last modified: | 2019-06-12 | Method: | X-RAY DIFFRACTION (2.17 Å) | Cite: | The Discovery of in Vivo Active Mitochondrial Branched-Chain Aminotransferase (BCATm) Inhibitors by Hybridizing Fragment and HTS Hits. J.Med.Chem., 58, 2015
|
|