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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
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
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
6R1R
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BU of 6r1r by Molmil
RIBONUCLEOTIDE REDUCTASE E441D 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
5HVY
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BU of 5hvy by Molmil
CDK8/CYCC IN COMPLEX WITH COMPOUND 20
分子名称: CHLORIDE ION, Cyclin-C, Cyclin-dependent kinase 8, ...
著者Kiefer, J.R, Schneider, E.V, Maskos, K, Bergeron, P, Koehler, M.
登録日2016-01-28
公開日2016-04-20
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (2.39 Å)
主引用文献Design and Development of a Series of Potent and Selective Type II Inhibitors of CDK8.
Acs Med.Chem.Lett., 7, 2016
6NYH
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BU of 6nyh by Molmil
Structure of human RIPK1 kinase domain in complex with GNE684
分子名称: (5S)-N-[(3S)-7-methoxy-1-methyl-2-oxo-2,3,4,5-tetrahydro-1H-pyrido[3,4-b]azepin-3-yl]-5-phenyl-6,7-dihydro-5H-pyrrolo[1,2-b][1,2,4]triazole-2-carboxamide, IODIDE ION, Receptor-interacting serine/threonine-protein kinase 1
著者Fong, R, Lupardus, P.J.
登録日2019-02-11
公開日2019-05-29
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献RIP1 inhibition blocks inflammatory diseases but not tumor growth or metastases.
Cell Death Differ., 27, 2020
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
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
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
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
6B16
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BU of 6b16 by Molmil
P21-activated kinase 1 in complex with a 4-azaindole inhibitor
分子名称: 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
著者Rouge, L, Wang, W.
登録日2017-09-16
公開日2017-10-25
実験手法X-RAY DIFFRACTION (2.285 Å)
主引用文献Synthesis and evaluation of a series of 4-azaindole-containing p21-activated kinase-1 inhibitors.
Bioorg. Med. Chem. Lett., 26, 2016
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
6JKU
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BU of 6jku by Molmil
Crystal structure of N-acetylglucosamine-6-phosphate deacetylase from Pasteurella Multocida
分子名称: 1,2-ETHANEDIOL, GLYCEROL, N-acetylglucosamine-6-phosphate deacetylase, ...
著者Manjunath, L, Bose, S, Subramanian, R.
登録日2019-03-01
公開日2020-03-04
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献Quaternary variations in the structural assembly of N-acetylglucosamine-6-phosphate deacetylase from Pasteurella multocida.
Proteins, 2020
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
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
7QHA
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BU of 7qha by Molmil
Cryo-EM structure of the Tripartite ATP-independent Periplasmic (TRAP) transporter SiaQM from Photobacterium profundum in amphipol
分子名称: Megabody c7HopQ, Putative TRAP-type C4-dicarboxylate transport system, large permease component, ...
著者North, R.A, Davies, J.S, Morado, D, Dobson, R.C.J.
登録日2021-12-11
公開日2022-12-21
最終更新日2023-03-22
実験手法ELECTRON MICROSCOPY (2.97 Å)
主引用文献Structure and mechanism of a tripartite ATP-independent periplasmic TRAP transporter.
Nat Commun, 14, 2023
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
7R1R
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BU of 7r1r by Molmil
RIBONUCLEOTIDE REDUCTASE E441Q 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
3KZD
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BU of 3kzd by Molmil
Crystal Structure of Free T-cell Lymphoma Invasion and Metastasis-1 PDZ Domain
分子名称: T-lymphoma invasion and metastasis-inducing protein 1
著者Shepherd, T.R, Fuentes, E.J.
登録日2009-12-08
公開日2010-04-21
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (1.3 Å)
主引用文献The Tiam1 PDZ domain couples to Syndecan1 and promotes cell-matrix adhesion.
J.Mol.Biol., 398, 2010
3KZE
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BU of 3kze by Molmil
Crystal Structure of T-cell Lymphoma Invasion and Metastasis-1 PDZ in Complex With SSRKEYYA Peptide
分子名称: Synthetic Peptide, T-lymphoma invasion and metastasis-inducing protein 1
著者Shepherd, T.R, Fuentes, E.J.
登録日2009-12-08
公開日2010-04-21
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献The Tiam1 PDZ domain couples to Syndecan1 and promotes cell-matrix adhesion.
J.Mol.Biol., 398, 2010
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
分子名称: (4R)-2-METHYLPENTANE-2,4-DIOL, (4S)-2-METHYL-2,4-PENTANEDIOL, Alcohol dehydrogenase E chain, ...
著者Plapp, B.V.
登録日2023-02-05
公開日2023-02-15
実験手法X-RAY DIFFRACTION (1.42 Å)
主引用文献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
分子名称: (4R)-2-METHYLPENTANE-2,4-DIOL, (4S)-2-METHYL-2,4-PENTANEDIOL, Alcohol dehydrogenase E chain, ...
著者Plapp, B.V.
登録日2023-02-06
公開日2023-02-15
実験手法X-RAY DIFFRACTION (1.45 Å)
主引用文献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
分子名称: (4R)-2-METHYLPENTANE-2,4-DIOL, 1,4-DIHYDRONICOTINAMIDE ADENINE DINUCLEOTIDE, Alcohol dehydrogenase E chain, ...
著者Plapp, B.V.
登録日2023-02-07
公開日2023-02-15
実験手法X-RAY DIFFRACTION (1.42 Å)
主引用文献Histidine-51 facilitates deprotonation of the zinc-bound ligand during catalysis by horse liver alcohol dehydrogenase
To Be Published

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