4ZY5
 
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4ZY4
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4ZY6
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7O2Y
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6NW2
 | | Structure of human RIPK1 kinase domain in complex with compound 11 | | Descriptor: | (5R)-5-methyl-N-[(3S)-5-methyl-4-oxo-2,3,4,5-tetrahydro-1,5-benzoxazepin-3-yl]-4,5,6,7-tetrahydro-2H-indazole-3-carboxamide, Receptor-interacting serine/threonine-protein kinase 1 | | Authors: | Fong, R, Lupardus, P.J. | | Deposit date: | 2019-02-05 | | Release date: | 2019-05-01 | | Last modified: | 2024-03-13 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Potent and selective inhibitors of receptor-interacting protein kinase 1 that lack an aromatic back pocket group.
Bioorg.Med.Chem.Lett., 29, 2019
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6L4J
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1P1R
 | | Horse liver alcohol dehydrogenase complexed with NADH and R-N-1-methylhexylformamide | | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, (R)-N-(1-METHYL-HEXYL)-FORMAMIDE, 1,4-DIHYDRONICOTINAMIDE ADENINE DINUCLEOTIDE, ... | | Authors: | Venkataramaiah, T.H, Plapp, B.V. | | Deposit date: | 2003-04-13 | | Release date: | 2003-07-15 | | Last modified: | 2023-08-16 | | Method: | X-RAY DIFFRACTION (1.57 Å) | | Cite: | Formamides mimic aldehydes and inhibit liver alcohol dehydrogenases and ethanol metabolism
J.Biol.Chem., 278, 2003
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8G41
 | | Horse liver alcohol dehydrogense His-51-Gln form complexed with NADH | | Descriptor: | (4R)-2-METHYLPENTANE-2,4-DIOL, (4S)-2-METHYL-2,4-PENTANEDIOL, 1,4-DIHYDRONICOTINAMIDE ADENINE DINUCLEOTIDE, ... | | Authors: | Plapp, B.V. | | Deposit date: | 2023-02-08 | | Release date: | 2023-02-15 | | Last modified: | 2024-05-22 | | Method: | X-RAY DIFFRACTION (1.5 Å) | | Cite: | Histidine-51 facilitates deprotonatation of the zinc-bound ligand during catalysis by horse liver alcohol dehydrogenase
To Be Published
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3R1R
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8F0V
 | | Lipocalin-like Milk protein-2 - E38A mutant | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Milk protein, ZINC ION | | Authors: | Subramanian, R, KanagaVijayan, D. | | Deposit date: | 2022-11-04 | | Release date: | 2023-08-23 | | Method: | X-RAY DIFFRACTION (2.951 Å) | | Cite: | Variability in phenylalanine side chain conformations facilitates broad substrate tolerance of fatty acid binding in cockroach milk proteins.
Plos One, 18, 2023
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1MG0
 | | Horse Liver Alcohol Dehydrogenase Complexed With NAD+ and 2,3-Difluorobenzyl Alcohol | | Descriptor: | 2,3-DIFLUOROBENZYL ALCOHOL, Alcohol Dehydrogenase E chain, NICOTINAMIDE-ADENINE-DINUCLEOTIDE, ... | | Authors: | Rubach, J.K, Plapp, B.V. | | Deposit date: | 2002-08-14 | | Release date: | 2002-11-13 | | Last modified: | 2024-02-14 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Mobility of Fluorobenzyl Alcohols Bound to Liver Alcohol Dehydrogenases as Determined by NMR and X-ray Crystallographic Studies
Biochemistry, 41, 2002
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1MGO
 | | Horse Liver Alcohol Dehydrogenase Phe93Ala Mutant | | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, 2,3,4,5,6-PENTAFLUOROBENZYL ALCOHOL, Alcohol Dehydrogenase E chain, ... | | Authors: | Rubach, J.K, Plapp, B.V. | | Deposit date: | 2002-08-15 | | Release date: | 2002-11-13 | | Last modified: | 2024-02-14 | | Method: | X-RAY DIFFRACTION (1.2 Å) | | Cite: | Mobility of Fluorobenzyl Alcohols Bound to Liver Alcohol Dehydrogenases as Determined by NMR and X-ray Crystallographic Studies
Biochemistry, 41, 2002
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5R1R
 | | RIBONUCLEOTIDE REDUCTASE E441A MUTANT R1 PROTEIN FROM ESCHERICHIA COLI | | Descriptor: | RIBONUCLEOTIDE REDUCTASE R1 PROTEIN, RIBONUCLEOTIDE REDUCTASE R2 PROTEIN | | Authors: | Eriksson, M, Eklund, H. | | Deposit date: | 1997-09-17 | | Release date: | 1998-03-18 | | Last modified: | 2023-08-09 | | Method: | X-RAY DIFFRACTION (3.1 Å) | | Cite: | A new mechanism-based radical intermediate in a mutant R1 protein affecting the catalytically essential Glu441 in Escherichia coli ribonucleotide reductase.
J.Biol.Chem., 272, 1997
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1VDC
 | | STRUCTURE OF NADPH DEPENDENT THIOREDOXIN REDUCTASE | | Descriptor: | FLAVIN-ADENINE DINUCLEOTIDE, NADPH DEPENDENT THIOREDOXIN REDUCTASE, SULFATE ION | | Authors: | Dai, S, Eklund, H. | | Deposit date: | 1996-09-22 | | Release date: | 1997-03-12 | | Last modified: | 2023-08-09 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Crystal structure of Arabidopsis thaliana NADPH dependent thioredoxin reductase at 2.5 A resolution.
J.Mol.Biol., 264, 1996
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5IME
 | | Crystal structure of P21-activated kinase 1 (PAK1) in complex with compound 9 | | Descriptor: | 8-(3-aminopropyl)-6-[2-chloro-4-(3-methyl-2-oxopyrazin-1(2H)-yl)phenyl]-2-(methylamino)pyrido[2,3-d]pyrimidin-7(8H)-one, Serine/threonine-protein kinase PAK 1 | | Authors: | Li, D, Wang, W. | | Deposit date: | 2016-03-06 | | Release date: | 2016-05-25 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (2.217 Å) | | Cite: | Chemically Diverse Group I p21-Activated Kinase (PAK) Inhibitors Impart Acute Cardiovascular Toxicity with a Narrow Therapeutic Window.
J.Med.Chem., 59, 2016
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5F6Z
 | | Sandercyanin Fluorescent Protein purified from Sander vitreus | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, BILIVERDINE IX ALPHA, Sandercyanin Fluorescent Protein | | Authors: | Ghosh, S, Yu, C.L, Ferraro, D, Sudha, S, Pal, S, Schaefer, W, Gibson, D.T, Subramanian, R. | | Deposit date: | 2015-12-07 | | Release date: | 2016-09-28 | | Last modified: | 2020-07-29 | | Method: | X-RAY DIFFRACTION (2.248 Å) | | Cite: | Blue protein with red fluorescence
Proc.Natl.Acad.Sci.USA, 113, 2016
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5VJG
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7T3E
 | | Structure of the sialic acid bound Tripartite ATP-independent Periplasmic (TRAP) periplasmic component SiaP from Photobacterium profundum | | Descriptor: | N-acetyl-beta-neuraminic acid, SULFATE ION, TRAP-type C4-dicarboxylate transport system, ... | | Authors: | Davies, J.S, Currie, M.J, North, R.A, Dobson, R.C.J. | | Deposit date: | 2021-12-07 | | Release date: | 2022-12-14 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (1.04 Å) | | Cite: | Structure and mechanism of a tripartite ATP-independent periplasmic TRAP transporter.
Nat Commun, 14, 2023
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5DWX
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5DWW
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1HET
 | | atomic X-ray structure of liver alcohol dehydrogenase containing a hydroxide adduct to NADH | | Descriptor: | (4R)-2-METHYLPENTANE-2,4-DIOL, ALCOHOL DEHYDROGENASE E CHAIN, NICOTINAMIDE-ADENINE-DINUCLEOTIDE, ... | | Authors: | Meijers, R, Morris, R.J, Adolph, H.W, Merli, A, Lamzin, V.S, Cedergen-Zeppezauer, E.S. | | Deposit date: | 2000-11-25 | | Release date: | 2001-05-31 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (1.15 Å) | | Cite: | On the Enzymatic Activation of Nadh
J.Biol.Chem., 276, 2001
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4R1R
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5BMS
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5DEY
 | | Crystal structure of PAK1 in complex with an inhibitor compound G-5555 | | Descriptor: | 8-[(trans-5-amino-1,3-dioxan-2-yl)methyl]-6-[2-chloro-4-(6-methylpyridin-2-yl)phenyl]-2-(methylamino)pyrido[2,3-d]pyrimidin-7(8H)-one, Serine/threonine-protein kinase PAK 1 | | Authors: | Oh, A, Tam, C, Wang, W. | | Deposit date: | 2015-08-26 | | Release date: | 2016-01-27 | | Last modified: | 2016-06-01 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Design of Selective PAK1 Inhibitor G-5555: Improving Properties by Employing an Unorthodox Low-pK a Polar Moiety.
Acs Med.Chem.Lett., 6, 2015
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5DFP
 | | Crystal structure of PAK1 in complex with an inhibitor compound FRAX1036 | | Descriptor: | 6-[2-chloro-4-(6-methylpyrazin-2-yl)phenyl]-8-ethyl-2-{[2-(1-methylpiperidin-4-yl)ethyl]amino}pyrido[2,3-d]pyrimidin-7(8H)-one, DIMETHYL SULFOXIDE, Serine/threonine-protein kinase PAK 1 | | Authors: | Maksimoska, J, Marmorstein, R, Wang, W. | | Deposit date: | 2015-08-27 | | Release date: | 2016-01-27 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Design of Selective PAK1 Inhibitor G-5555: Improving Properties by Employing an Unorthodox Low-pK a Polar Moiety.
Acs Med.Chem.Lett., 6, 2015
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