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7O2Y
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BU of 7o2y by Molmil
Sandercyanin Fluorescent Protein variant V71E bound to biliverdin IX-alpha
Descriptor: BILIVERDINE IX ALPHA, Sandercyanin Fluorescent Protein
Authors:Ghosh, S, Yadav, K, Ramaswamy, S.
Deposit date:2021-03-31
Release date:2022-04-13
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.5 Å)
Cite: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
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
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
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
5HVY
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BU of 5hvy by Molmil
CDK8/CYCC IN COMPLEX WITH COMPOUND 20
Descriptor: CHLORIDE ION, Cyclin-C, Cyclin-dependent kinase 8, ...
Authors:Kiefer, J.R, Schneider, E.V, Maskos, K, Bergeron, P, Koehler, M.
Deposit date:2016-01-28
Release date:2016-04-20
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (2.39 Å)
Cite: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
Descriptor: (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
Authors:Fong, R, Lupardus, P.J.
Deposit date:2019-02-11
Release date:2019-05-29
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.1 Å)
Cite: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
Descriptor: 2,2'-bipyridine, Alcohol dehydrogenase E chain, ZINC ION
Authors:Plapp, B.V, Baskar Raj, S.
Deposit date:2017-04-19
Release date:2017-05-03
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.9 Å)
Cite: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
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
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
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
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
5DEY
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BU of 5dey by Molmil
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
5DFP
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BU of 5dfp by Molmil
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
6JKU
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BU of 6jku by Molmil
Crystal structure of N-acetylglucosamine-6-phosphate deacetylase from Pasteurella Multocida
Descriptor: 1,2-ETHANEDIOL, GLYCEROL, N-acetylglucosamine-6-phosphate deacetylase, ...
Authors:Manjunath, L, Bose, S, Subramanian, R.
Deposit date:2019-03-01
Release date:2020-03-04
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.95 Å)
Cite: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
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
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
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
Descriptor: Megabody c7HopQ, Putative TRAP-type C4-dicarboxylate transport system, large permease component, ...
Authors:North, R.A, Davies, J.S, Morado, D, Dobson, R.C.J.
Deposit date:2021-12-11
Release date:2022-12-21
Last modified:2023-03-22
Method:ELECTRON MICROSCOPY (2.97 Å)
Cite: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
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
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
3KZD
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BU of 3kzd by Molmil
Crystal Structure of Free T-cell Lymphoma Invasion and Metastasis-1 PDZ Domain
Descriptor: T-lymphoma invasion and metastasis-inducing protein 1
Authors:Shepherd, T.R, Fuentes, E.J.
Deposit date:2009-12-08
Release date:2010-04-21
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (1.3 Å)
Cite: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
Descriptor: Synthetic Peptide, T-lymphoma invasion and metastasis-inducing protein 1
Authors:Shepherd, T.R, Fuentes, E.J.
Deposit date:2009-12-08
Release date:2010-04-21
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (1.8 Å)
Cite: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
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
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

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