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6R1R
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BU of 6r1r by Molmil
RIBONUCLEOTIDE REDUCTASE E441D 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
5R1R
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BU of 5r1r by Molmil
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
6NW2
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BU of 6nw2 by Molmil
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
1VDC
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BU of 1vdc by Molmil
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
4R1R
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BU of 4r1r by Molmil
RIBONUCLEOTIDE REDUCTASE R1 PROTEIN WITH SUBSTRATE, GDP AND EFFECTOR DTTP FROM ESCHERICHIA COLI
Descriptor: GUANOSINE-5'-DIPHOSPHATE, RIBONUCLEOTIDE REDUCTASE R1 PROTEIN, RIBONUCLEOTIDE REDUCTASE R2 PROTEIN, ...
Authors:Eriksson, M, Eklund, H.
Deposit date:1997-07-22
Release date:1998-01-28
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (3.2 Å)
Cite:Binding of allosteric effectors to ribonucleotide reductase protein R1: reduction of active-site cysteines promotes substrate binding.
Structure, 5, 1997
5IME
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BU of 5ime by Molmil
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
6B16
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BU of 6b16 by Molmil
P21-activated kinase 1 in complex with a 4-azaindole inhibitor
Descriptor: N~4~-(5-cyclopropyl-1H-pyrazol-3-yl)-N~2~-[(1S)-1-(1H-pyrrolo[3,2-b]pyridin-5-yl)ethyl]pyrimidine-2,4-diamine, SULFATE ION, Serine/threonine-protein kinase PAK 1
Authors:Rouge, L, Wang, W.
Deposit date:2017-09-16
Release date:2017-10-25
Method:X-RAY DIFFRACTION (2.285 Å)
Cite:Synthesis and evaluation of a series of 4-azaindole-containing p21-activated kinase-1 inhibitors.
Bioorg. Med. Chem. Lett., 26, 2016
5BMS
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BU of 5bms by Molmil
Crystal structure of P21-activated kinase 4 in complex with an inhibitor compound 29
Descriptor: N~2~-[(7-chloro-1H-benzimidazol-6-yl)methyl]-N~4~-(5-cyclopropyl-1H-pyrazol-3-yl)pyrimidine-2,4-diamine, Serine/threonine-protein kinase PAK 4
Authors:Rouge, L, Wang, W.
Deposit date:2015-05-22
Release date:2015-07-01
Last modified:2015-07-15
Method:X-RAY DIFFRACTION (2.903 Å)
Cite:Structure-Guided Design of Group I Selective p21-Activated Kinase Inhibitors.
J.Med.Chem., 58, 2015
4ZY5
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BU of 4zy5 by Molmil
Crystal Structure of p21-activated kinase 1 in complex with an inhibitor compound 17
Descriptor: DIMETHYL SULFOXIDE, N~2~-[(trans-4-aminocyclohexyl)methyl]-N~4~-(3-cyclopropyl-1H-pyrazol-5-yl)pyrimidine-2,4-diamine, SULFATE ION, ...
Authors:Rouge, L, Wang, W.
Deposit date:2015-05-21
Release date:2015-07-01
Last modified:2015-07-15
Method:X-RAY DIFFRACTION (2.35 Å)
Cite:Structure-Guided Design of Group I Selective p21-Activated Kinase Inhibitors.
J.Med.Chem., 58, 2015
4ZY4
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BU of 4zy4 by Molmil
Crystal structure of P21 activated kinase 1 in complex with an inhibitor compound 4
Descriptor: 2-(4-aminopiperidin-1-yl)-N-(5-cyclopropyl-1H-pyrazol-3-yl)thieno[3,2-d]pyrimidin-4-amine, DIMETHYL SULFOXIDE, SULFATE ION, ...
Authors:Rouge, R, Wang, W.
Deposit date:2015-05-21
Release date:2015-07-01
Last modified:2015-07-15
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Structure-Guided Design of Group I Selective p21-Activated Kinase Inhibitors.
J.Med.Chem., 58, 2015
4ZY6
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BU of 4zy6 by Molmil
Crystal structure of P21-activated kinase 1 in complex with an inhibitor compound 29
Descriptor: N~2~-[(7-chloro-1H-benzimidazol-6-yl)methyl]-N~4~-(5-cyclopropyl-1H-pyrazol-3-yl)pyrimidine-2,4-diamine, SULFATE ION, Serine/threonine-protein kinase PAK 1
Authors:Rouge, L, Wang, W.
Deposit date:2015-05-21
Release date:2015-07-01
Last modified:2015-12-16
Method:X-RAY DIFFRACTION (2.15 Å)
Cite:Structure-Guided Design of Group I Selective p21-Activated Kinase Inhibitors.
J.Med.Chem., 58, 2015
5F6Z
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BU of 5f6z by Molmil
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
8G2L
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BU of 8g2l by Molmil
Horse liver alcohol dehydrogense His-51 Gln form complexed with NAD+ and 2,2,2-trifluoroethanol
Descriptor: (4R)-2-METHYLPENTANE-2,4-DIOL, (4S)-2-METHYL-2,4-PENTANEDIOL, Alcohol dehydrogenase E chain, ...
Authors:Plapp, B.V.
Deposit date:2023-02-05
Release date:2023-02-15
Method:X-RAY DIFFRACTION (1.42 Å)
Cite:Histidine-51 facilitates deprotonation of the zinc-bound ligand during catalysis by horse liver alcohol dehydrogenase
To Be Published
8G2X
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BU of 8g2x by Molmil
Horse liver alcohol dehydrogense His-51-Gln form complexed with NAD+ and pyrazole
Descriptor: (4R)-2-METHYLPENTANE-2,4-DIOL, (4S)-2-METHYL-2,4-PENTANEDIOL, Alcohol dehydrogenase E chain, ...
Authors:Plapp, B.V.
Deposit date:2023-02-06
Release date:2023-02-15
Method:X-RAY DIFFRACTION (1.47 Å)
Cite:Histidine-51 facilitates deprotonation of the zinc-bound ligand during catalysis by horse liver alcohol dehydrogenase
To Be Published
8G4V
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BU of 8g4v by Molmil
Horse liver alcohol dehydrogense His-51-Gln form complexed with NAD+ and 2,3,4,5,6-pentafluorobenzyl alcohol
Descriptor: (4S)-2-METHYL-2,4-PENTANEDIOL, 2,3,4,5,6-PENTAFLUOROBENZYL ALCOHOL, Alcohol dehydrogenase E chain, ...
Authors:Plapp, B.V, Subramanian, R.
Deposit date:2023-02-10
Release date:2023-02-22
Method:X-RAY DIFFRACTION (1.2 Å)
Cite:Histidine-51 facilitates deprotonation of the zinc-bound ligand during catalysis by horse liver alcohol dehydrogenase
To Be Published
8G2S
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BU of 8g2s by Molmil
Horse liver alcohol dehydrogense His-51-Gln form complexed with NAD+ and capric acid
Descriptor: (4R)-2-METHYLPENTANE-2,4-DIOL, (4S)-2-METHYL-2,4-PENTANEDIOL, Alcohol dehydrogenase E chain, ...
Authors:Plapp, B.V.
Deposit date:2023-02-06
Release date:2023-02-15
Method:X-RAY DIFFRACTION (1.45 Å)
Cite:Histidine-51 facilitates deprotonation of the zinc-bound ligand during catalysis by horse liver alcohol dehydrogenase
To Be Published
8G39
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BU of 8g39 by Molmil
Horse liver alcohol dehydrogense His-51-Gln form complexed with NADH and N-cyclohexylformamide
Descriptor: (4R)-2-METHYLPENTANE-2,4-DIOL, 1,4-DIHYDRONICOTINAMIDE ADENINE DINUCLEOTIDE, Alcohol dehydrogenase E chain, ...
Authors:Plapp, B.V.
Deposit date:2023-02-07
Release date:2023-02-15
Method:X-RAY DIFFRACTION (1.42 Å)
Cite:Histidine-51 facilitates deprotonation of the zinc-bound ligand during catalysis by horse liver alcohol dehydrogenase
To Be Published
7R1R
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BU of 7r1r by Molmil
RIBONUCLEOTIDE REDUCTASE E441Q 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
8F0V
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BU of 8f0v by Molmil
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
8F0Y
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BU of 8f0y by Molmil
Lipocalin-like Milk protein-1
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Milk protein
Authors:Subramanian, R, KanagaVijayan, D, Shantakumar, R.P.S.
Deposit date:2022-11-04
Release date:2023-08-23
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Variability in phenylalanine side chain conformations facilitates broad substrate tolerance of fatty acid binding in cockroach milk proteins.
Plos One, 18, 2023
3R1R
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BU of 3r1r by Molmil
RIBONUCLEOTIDE REDUCTASE R1 PROTEIN WITH AMPPNP OCCUPYING THE ACTIVITY SITE FROM ESCHERICHIA COLI
Descriptor: ADENOSINE-5'-TRIPHOSPHATE, RIBONUCLEOTIDE REDUCTASE R1 PROTEIN, RIBONUCLEOTIDE REDUCTASE R2 PROTEIN
Authors:Eriksson, M, Eklund, H.
Deposit date:1997-07-21
Release date:1998-01-28
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (3 Å)
Cite:Binding of allosteric effectors to ribonucleotide reductase protein R1: reduction of active-site cysteines promotes substrate binding.
Structure, 5, 1997
5DWX
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BU of 5dwx by Molmil
Structural Insights into the Quadruplex-Duplex 3' Interface formed from a Telomeric Repeat - TLOOP
Descriptor: DNA (24-MER), DNA complementary strand, POTASSIUM ION
Authors:Parkinson, G.N, Russo Krauss, I.
Deposit date:2015-09-23
Release date:2016-01-20
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.71 Å)
Cite:Structural Insights into the Quadruplex-Duplex 3' Interface Formed from a Telomeric Repeat: A Potential Molecular Target.
J.Am.Chem.Soc., 138, 2016
5DWW
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BU of 5dww by Molmil
Structural Insights into the Quadruplex-Duplex 3' Interface formed from a Telomeric Repeat - TTLOOP
Descriptor: DNA (25-MER), DNA (5'-D(*TP*AP*AP*CP*GP*CP*TP*A)-3'), POTASSIUM ION
Authors:Russo Krauss, I, Parkinson, G.N.
Deposit date:2015-09-23
Release date:2016-01-20
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.79 Å)
Cite:Structural Insights into the Quadruplex-Duplex 3' Interface Formed from a Telomeric Repeat: A Potential Molecular Target.
J.Am.Chem.Soc., 138, 2016
2R1R
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BU of 2r1r by Molmil
RIBONUCLEOTIDE REDUCTASE R1 PROTEIN WITH DTTP OCCUPYING THE SPECIFICITY SITE FROM ESCHERICHIA COLI
Descriptor: RIBONUCLEOTIDE REDUCTASE R1 PROTEIN, RIBONUCLEOTIDE REDUCTASE R2 PROTEIN, THYMIDINE-5'-TRIPHOSPHATE
Authors:Eriksson, M, Eklund, H.
Deposit date:1997-07-21
Release date:1998-01-28
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (3 Å)
Cite:Binding of allosteric effectors to ribonucleotide reductase protein R1: reduction of active-site cysteines promotes substrate binding.
Structure, 5, 1997
7KC2
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BU of 7kc2 by Molmil
Symmetry in Yeast Alcohol Dehydrogenase 1 -Closed Form with NADH
Descriptor: Alcohol dehydrogenase, NICOTINAMIDE-ADENINE-DINUCLEOTIDE, ZINC ION
Authors:Subramanian, R, Chang, L, Li, Z, Plapp, B.V.
Deposit date:2020-10-04
Release date:2021-03-31
Method:ELECTRON MICROSCOPY (2.67 Å)
Cite:Cryo-Electron Microscopy Structures of Yeast Alcohol Dehydrogenase.
Biochemistry, 60, 2021

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