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4ZY5
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BU of 4zy5 by Molmil
Crystal Structure of p21-activated kinase 1 in complex with an inhibitor compound 17
分子名称: DIMETHYL SULFOXIDE, N~2~-[(trans-4-aminocyclohexyl)methyl]-N~4~-(3-cyclopropyl-1H-pyrazol-5-yl)pyrimidine-2,4-diamine, SULFATE ION, ...
著者Rouge, L, Wang, W.
登録日2015-05-21
公開日2015-07-01
最終更新日2015-07-15
実験手法X-RAY DIFFRACTION (2.35 Å)
主引用文献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
分子名称: 2-(4-aminopiperidin-1-yl)-N-(5-cyclopropyl-1H-pyrazol-3-yl)thieno[3,2-d]pyrimidin-4-amine, DIMETHYL SULFOXIDE, SULFATE ION, ...
著者Rouge, R, Wang, W.
登録日2015-05-21
公開日2015-07-01
最終更新日2015-07-15
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献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
分子名称: 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
著者Rouge, L, Wang, W.
登録日2015-05-21
公開日2015-07-01
最終更新日2015-12-16
実験手法X-RAY DIFFRACTION (2.15 Å)
主引用文献Structure-Guided Design of Group I Selective p21-Activated Kinase Inhibitors.
J.Med.Chem., 58, 2015
7O2Y
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BU of 7o2y by Molmil
Sandercyanin Fluorescent Protein variant V71E bound to biliverdin IX-alpha
分子名称: BILIVERDINE IX ALPHA, Sandercyanin Fluorescent Protein
著者Ghosh, S, Yadav, K, Ramaswamy, S.
登録日2021-03-31
公開日2022-04-13
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Modulation of biliverdin dynamics and spectral properties by Sandercyanin.
Rsc Adv, 12, 2022
6NW2
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BU of 6nw2 by Molmil
Structure of human RIPK1 kinase domain in complex with compound 11
分子名称: (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
著者Fong, R, Lupardus, P.J.
登録日2019-02-05
公開日2019-05-01
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Potent and selective inhibitors of receptor-interacting protein kinase 1 that lack an aromatic back pocket group.
Bioorg.Med.Chem.Lett., 29, 2019
6L4J
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BU of 6l4j by Molmil
Monomer structure of monellin loop1 mutant (YEPKG)
分子名称: Single chain Monellin
著者Manjula, R, Ramaswamy, S, Gosavi, S.
登録日2019-10-17
公開日2021-04-21
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Monomer structure of Loop1 mutant Monellin with YEPKG motif
To Be Published
1P1R
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BU of 1p1r by Molmil
Horse liver alcohol dehydrogenase complexed with NADH and R-N-1-methylhexylformamide
分子名称: (4S)-2-METHYL-2,4-PENTANEDIOL, (R)-N-(1-METHYL-HEXYL)-FORMAMIDE, 1,4-DIHYDRONICOTINAMIDE ADENINE DINUCLEOTIDE, ...
著者Venkataramaiah, T.H, Plapp, B.V.
登録日2003-04-13
公開日2003-07-15
最終更新日2023-08-16
実験手法X-RAY DIFFRACTION (1.57 Å)
主引用文献Formamides mimic aldehydes and inhibit liver alcohol dehydrogenases and ethanol metabolism
J.Biol.Chem., 278, 2003
8G41
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BU of 8g41 by Molmil
Horse liver alcohol dehydrogense His-51-Gln form complexed with NADH
分子名称: (4R)-2-METHYLPENTANE-2,4-DIOL, (4S)-2-METHYL-2,4-PENTANEDIOL, 1,4-DIHYDRONICOTINAMIDE ADENINE DINUCLEOTIDE, ...
著者Plapp, B.V.
登録日2023-02-08
公開日2023-02-15
最終更新日2024-05-22
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Histidine-51 facilitates deprotonatation of the zinc-bound ligand during catalysis by horse liver alcohol dehydrogenase
To Be Published
3R1R
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BU of 3r1r by Molmil
RIBONUCLEOTIDE REDUCTASE R1 PROTEIN WITH AMPPNP OCCUPYING THE ACTIVITY SITE FROM ESCHERICHIA COLI
分子名称: ADENOSINE-5'-TRIPHOSPHATE, RIBONUCLEOTIDE REDUCTASE R1 PROTEIN, RIBONUCLEOTIDE REDUCTASE R2 PROTEIN
著者Eriksson, M, Eklund, H.
登録日1997-07-21
公開日1998-01-28
最終更新日2011-07-13
実験手法X-RAY DIFFRACTION (3 Å)
主引用文献Binding of allosteric effectors to ribonucleotide reductase protein R1: reduction of active-site cysteines promotes substrate binding.
Structure, 5, 1997
8F0V
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BU of 8f0v by Molmil
Lipocalin-like Milk protein-2 - E38A mutant
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, Milk protein, ZINC ION
著者Subramanian, R, KanagaVijayan, D.
登録日2022-11-04
公開日2023-08-23
実験手法X-RAY DIFFRACTION (2.951 Å)
主引用文献Variability in phenylalanine side chain conformations facilitates broad substrate tolerance of fatty acid binding in cockroach milk proteins.
Plos One, 18, 2023
1MG0
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BU of 1mg0 by Molmil
Horse Liver Alcohol Dehydrogenase Complexed With NAD+ and 2,3-Difluorobenzyl Alcohol
分子名称: 2,3-DIFLUOROBENZYL ALCOHOL, Alcohol Dehydrogenase E chain, NICOTINAMIDE-ADENINE-DINUCLEOTIDE, ...
著者Rubach, J.K, Plapp, B.V.
登録日2002-08-14
公開日2002-11-13
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Mobility of Fluorobenzyl Alcohols Bound to Liver Alcohol Dehydrogenases as Determined by NMR and X-ray Crystallographic Studies
Biochemistry, 41, 2002
1MGO
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BU of 1mgo by Molmil
Horse Liver Alcohol Dehydrogenase Phe93Ala Mutant
分子名称: (4S)-2-METHYL-2,4-PENTANEDIOL, 2,3,4,5,6-PENTAFLUOROBENZYL ALCOHOL, Alcohol Dehydrogenase E chain, ...
著者Rubach, J.K, Plapp, B.V.
登録日2002-08-15
公開日2002-11-13
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (1.2 Å)
主引用文献Mobility of Fluorobenzyl Alcohols Bound to Liver Alcohol Dehydrogenases as Determined by NMR and X-ray Crystallographic Studies
Biochemistry, 41, 2002
5R1R
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BU of 5r1r by Molmil
RIBONUCLEOTIDE REDUCTASE E441A MUTANT R1 PROTEIN FROM ESCHERICHIA COLI
分子名称: RIBONUCLEOTIDE REDUCTASE R1 PROTEIN, RIBONUCLEOTIDE REDUCTASE R2 PROTEIN
著者Eriksson, M, Eklund, H.
登録日1997-09-17
公開日1998-03-18
最終更新日2023-08-09
実験手法X-RAY DIFFRACTION (3.1 Å)
主引用文献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
1VDC
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BU of 1vdc by Molmil
STRUCTURE OF NADPH DEPENDENT THIOREDOXIN REDUCTASE
分子名称: FLAVIN-ADENINE DINUCLEOTIDE, NADPH DEPENDENT THIOREDOXIN REDUCTASE, SULFATE ION
著者Dai, S, Eklund, H.
登録日1996-09-22
公開日1997-03-12
最終更新日2023-08-09
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Crystal structure of Arabidopsis thaliana NADPH dependent thioredoxin reductase at 2.5 A resolution.
J.Mol.Biol., 264, 1996
5IME
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BU of 5ime by Molmil
Crystal structure of P21-activated kinase 1 (PAK1) in complex with compound 9
分子名称: 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
著者Li, D, Wang, W.
登録日2016-03-06
公開日2016-05-25
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.217 Å)
主引用文献Chemically Diverse Group I p21-Activated Kinase (PAK) Inhibitors Impart Acute Cardiovascular Toxicity with a Narrow Therapeutic Window.
J.Med.Chem., 59, 2016
5F6Z
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BU of 5f6z by Molmil
Sandercyanin Fluorescent Protein purified from Sander vitreus
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, BILIVERDINE IX ALPHA, Sandercyanin Fluorescent Protein
著者Ghosh, S, Yu, C.L, Ferraro, D, Sudha, S, Pal, S, Schaefer, W, Gibson, D.T, Subramanian, R.
登録日2015-12-07
公開日2016-09-28
最終更新日2020-07-29
実験手法X-RAY DIFFRACTION (2.248 Å)
主引用文献Blue protein with red fluorescence
Proc.Natl.Acad.Sci.USA, 113, 2016
5VJG
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BU of 5vjg by Molmil
horse liver alcohol dehydrogenase complexed with 2,2'bipyridine
分子名称: 2,2'-bipyridine, Alcohol dehydrogenase E chain, ZINC ION
著者Plapp, B.V, Baskar Raj, S.
登録日2017-04-19
公開日2017-05-03
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Horse Liver Alcohol Dehydrogenase: Zinc Coordination and Catalysis.
Biochemistry, 56, 2017
7T3E
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BU of 7t3e by Molmil
Structure of the sialic acid bound Tripartite ATP-independent Periplasmic (TRAP) periplasmic component SiaP from Photobacterium profundum
分子名称: N-acetyl-beta-neuraminic acid, SULFATE ION, TRAP-type C4-dicarboxylate transport system, ...
著者Davies, J.S, Currie, M.J, North, R.A, Dobson, R.C.J.
登録日2021-12-07
公開日2022-12-14
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (1.04 Å)
主引用文献Structure and mechanism of a tripartite ATP-independent periplasmic TRAP transporter.
Nat Commun, 14, 2023
5DWX
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BU of 5dwx by Molmil
Structural Insights into the Quadruplex-Duplex 3' Interface formed from a Telomeric Repeat - TLOOP
分子名称: DNA (24-MER), DNA complementary strand, POTASSIUM ION
著者Parkinson, G.N, Russo Krauss, I.
登録日2015-09-23
公開日2016-01-20
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (2.71 Å)
主引用文献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
分子名称: DNA (25-MER), DNA (5'-D(*TP*AP*AP*CP*GP*CP*TP*A)-3'), POTASSIUM ION
著者Russo Krauss, I, Parkinson, G.N.
登録日2015-09-23
公開日2016-01-20
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (2.79 Å)
主引用文献Structural Insights into the Quadruplex-Duplex 3' Interface Formed from a Telomeric Repeat: A Potential Molecular Target.
J.Am.Chem.Soc., 138, 2016
1HET
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BU of 1het by Molmil
atomic X-ray structure of liver alcohol dehydrogenase containing a hydroxide adduct to NADH
分子名称: (4R)-2-METHYLPENTANE-2,4-DIOL, ALCOHOL DEHYDROGENASE E CHAIN, NICOTINAMIDE-ADENINE-DINUCLEOTIDE, ...
著者Meijers, R, Morris, R.J, Adolph, H.W, Merli, A, Lamzin, V.S, Cedergen-Zeppezauer, E.S.
登録日2000-11-25
公開日2001-05-31
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (1.15 Å)
主引用文献On the Enzymatic Activation of Nadh
J.Biol.Chem., 276, 2001
4R1R
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BU of 4r1r by Molmil
RIBONUCLEOTIDE REDUCTASE R1 PROTEIN WITH SUBSTRATE, GDP AND EFFECTOR DTTP FROM ESCHERICHIA COLI
分子名称: GUANOSINE-5'-DIPHOSPHATE, RIBONUCLEOTIDE REDUCTASE R1 PROTEIN, RIBONUCLEOTIDE REDUCTASE R2 PROTEIN, ...
著者Eriksson, M, Eklund, H.
登録日1997-07-22
公開日1998-01-28
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (3.2 Å)
主引用文献Binding of allosteric effectors to ribonucleotide reductase protein R1: reduction of active-site cysteines promotes substrate binding.
Structure, 5, 1997
5BMS
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BU of 5bms by Molmil
Crystal structure of P21-activated kinase 4 in complex with an inhibitor compound 29
分子名称: 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
著者Rouge, L, Wang, W.
登録日2015-05-22
公開日2015-07-01
最終更新日2015-07-15
実験手法X-RAY DIFFRACTION (2.903 Å)
主引用文献Structure-Guided Design of Group I Selective p21-Activated Kinase Inhibitors.
J.Med.Chem., 58, 2015
5DEY
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BU of 5dey by Molmil
Crystal structure of PAK1 in complex with an inhibitor compound G-5555
分子名称: 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
著者Oh, A, Tam, C, Wang, W.
登録日2015-08-26
公開日2016-01-27
最終更新日2016-06-01
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Design of Selective PAK1 Inhibitor G-5555: Improving Properties by Employing an Unorthodox Low-pK a Polar Moiety.
Acs Med.Chem.Lett., 6, 2015
5DFP
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BU of 5dfp by Molmil
Crystal structure of PAK1 in complex with an inhibitor compound FRAX1036
分子名称: 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
著者Maksimoska, J, Marmorstein, R, Wang, W.
登録日2015-08-27
公開日2016-01-27
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献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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