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PDB: 40736 results

2Q47
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BU of 2q47 by Molmil
Ensemble refinement of the protein crystal structure of a putative phosphoprotein phosphatase from Arabidopsis thaliana gene At1g05000
Descriptor: Probable tyrosine-protein phosphatase At1g05000, SULFATE ION
Authors:Levin, E.J, Kondrashov, D.A, Wesenberg, G.E, Phillips Jr, G.N, Center for Eukaryotic Structural Genomics (CESG)
Deposit date:2007-05-31
Release date:2007-06-19
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (3.3 Å)
Cite:Ensemble refinement of protein crystal structures: validation and application.
Structure, 15, 2007
2Q50
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BU of 2q50 by Molmil
Ensemble refinement of the protein crystal structure of a glyoxylate/hydroxypyruvate reductase from Homo sapiens
Descriptor: Glyoxylate reductase/hydroxypyruvate reductase
Authors:Levin, E.J, Kondrashov, D.A, Wesenberg, G.E, Phillips Jr, G.N, Center for Eukaryotic Structural Genomics (CESG)
Deposit date:2007-05-31
Release date:2007-06-19
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (2.45 Å)
Cite:Ensemble refinement of protein crystal structures: validation and application.
Structure, 15, 2007
6E2M
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BU of 6e2m by Molmil
ASK1 kinase domain complex with inhibitor
Descriptor: Mitogen-activated protein kinase kinase kinase 5, N-[3-(4-methyl-4H-1,2,4-triazol-3-yl)phenyl]pyridine-2-carboxamide
Authors:Lansdon, E.B.
Deposit date:2018-07-11
Release date:2018-09-19
Last modified:2018-10-17
Method:X-RAY DIFFRACTION (2.253 Å)
Cite:ASK1 contributes to fibrosis and dysfunction in models of kidney disease.
J. Clin. Invest., 128, 2018
6E2N
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BU of 6e2n by Molmil
ASK1 kinase domain complex with inhibitor
Descriptor: Mitogen-activated protein kinase kinase kinase 5, N-[3-(4-cyclopropyl-4H-1,2,4-triazol-3-yl)phenyl][3,4'-bipyridine]-2'-carboxamide
Authors:Lansdon, E.B.
Deposit date:2018-07-11
Release date:2018-09-19
Last modified:2018-10-17
Method:X-RAY DIFFRACTION (2.098 Å)
Cite:ASK1 contributes to fibrosis and dysfunction in models of kidney disease.
J. Clin. Invest., 128, 2018
6E2O
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BU of 6e2o by Molmil
ASK1 kinase domain complex with inhibitor
Descriptor: 4-(4-cyclopropyl-1H-imidazol-1-yl)-N-[3-(4-cyclopropyl-4H-1,2,4-triazol-3-yl)phenyl]pyridine-2-carboxamide, Mitogen-activated protein kinase kinase kinase 5
Authors:Lansdon, E.B.
Deposit date:2018-07-11
Release date:2018-09-19
Last modified:2018-10-17
Method:X-RAY DIFFRACTION (2.389 Å)
Cite:ASK1 contributes to fibrosis and dysfunction in models of kidney disease.
J. Clin. Invest., 128, 2018
6TMQ
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BU of 6tmq by Molmil
Rapid optimisation of fragments and hits to lead compounds from screening of crude reaction mixtures
Descriptor: DIMETHYL SULFOXIDE, N-(2-AMINOETHYL)-2-{3-CHLORO-4-[(4-ISOPROPYLBENZYL)OXY]PHENYL} ACETAMIDE, [2,4-bis(oxidanyl)phenyl]-[(1~{S})-6,7-dimethoxy-1-pyridin-3-yl-3,4-dihydro-1~{H}-isoquinolin-2-yl]methanone, ...
Authors:Baker, L.M, Aimon, A, Murray, J.B, Surgenor, A.E, Matassova, N, Roughley, S.D, von Delft, F, Hubbard, R.E.
Deposit date:2019-12-05
Release date:2020-10-14
Last modified:2024-05-15
Method:X-RAY DIFFRACTION (2.112 Å)
Cite:Rapid optimisation of fragments and hits to lead compounds from screening of crude reaction mixtures
Commun Chem, 2020
2EIL
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BU of 2eil by Molmil
Cadmium ion binding structure of bovine heart cytochrome C oxidase in the fully oxidized state
Descriptor: (1R)-2-{[{[(2S)-2,3-DIHYDROXYPROPYL]OXY}(HYDROXY)PHOSPHORYL]OXY}-1-[(PALMITOYLOXY)METHYL]ETHYL (11E)-OCTADEC-11-ENOATE, (1S)-2-{[(2-AMINOETHOXY)(HYDROXY)PHOSPHORYL]OXY}-1-[(STEAROYLOXY)METHYL]ETHYL (5E,8E,11E,14E)-ICOSA-5,8,11,14-TETRAENOATE, (7R,17E,20E)-4-HYDROXY-N,N,N-TRIMETHYL-9-OXO-7-[(PALMITOYLOXY)METHYL]-3,5,8-TRIOXA-4-PHOSPHAHEXACOSA-17,20-DIEN-1-AMINIUM 4-OXIDE, ...
Authors:Muramoto, K, Hirata, K, Shinzawa-Itoh, K, Yoko-o, S, Yamashita, E, Aoyama, H, Tsukihara, T, Yoshikawa, S.
Deposit date:2007-03-13
Release date:2007-05-29
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:A histidine residue acting as a controlling site for dioxygen reduction and proton pumping by cytochrome c oxidase
Proc.Natl.Acad.Sci.Usa, 104, 2007
6DTV
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BU of 6dtv by Molmil
Crystal structure of eukaryotic DNA primase large subunit iron-sulfur cluster domain Y395F mutant
Descriptor: (4S)-2-METHYL-2,4-PENTANEDIOL, DNA primase large subunit, IRON/SULFUR CLUSTER
Authors:Salay, L.E, Chazin, W.J.
Deposit date:2018-06-18
Release date:2018-12-12
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.12 Å)
Cite:Yeast require redox switching in DNA primase.
Proc. Natl. Acad. Sci. U.S.A., 115, 2018
2E74
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BU of 2e74 by Molmil
Crystal Structure of the Cytochrome b6f Complex from M.laminosus
Descriptor: (7R,17E)-4-HYDROXY-N,N,N,7-TETRAMETHYL-7-[(8E)-OCTADEC-8-ENOYLOXY]-10-OXO-3,5,9-TRIOXA-4-PHOSPHAHEPTACOS-17-EN-1-AMINIUM 4-OXIDE, 1,2-DI-O-ACYL-3-O-[6-DEOXY-6-SULFO-ALPHA-D-GLUCOPYRANOSYL]-SN-GLYCEROL, Apocytochrome f, ...
Authors:Cramer, W.A, Yamashita, E, Zhang, H.
Deposit date:2007-01-05
Release date:2007-06-12
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (3 Å)
Cite:Structure of the Cytochrome b(6)f Complex: Quinone Analogue Inhibitors as Ligands of Heme c(n)
J.Mol.Biol., 370, 2007
2E8T
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BU of 2e8t by Molmil
S. cerevisiae geranylgeranyl pyrophosphate synthase in complex with magnesium, FsPP and IPP
Descriptor: 3-METHYLBUT-3-ENYL TRIHYDROGEN DIPHOSPHATE, Geranylgeranyl pyrophosphate synthetase, MAGNESIUM ION, ...
Authors:Guo, R.T, Ko, T.P, Chen, C.K.-M, Jeng, W.Y, Chang, T.H, Liang, P.H, Oldfield, E, Wang, A.H.-J.
Deposit date:2007-01-23
Release date:2007-06-12
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (2.13 Å)
Cite:Bisphosphonates target multiple sites in both cis- and trans-prenyltransferases
Proc.Natl.Acad.Sci.Usa, 104, 2007
4N6E
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BU of 4n6e by Molmil
Crystal structure of Amycolatopsis orientalis BexX/CysO complex
Descriptor: Putative thiosugar synthase, SULFATE ION, ThiS/MoaD family protein
Authors:Zhang, X, Zhang, Y, Kinsland, C, Sasaki, E, Sun, H.G, Lu, M.J, Liu, T, Ou, A, Li, J, Chen, Y, Liu, H, Ealick, S.E.
Deposit date:2013-10-11
Release date:2014-05-14
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Co-opting sulphur-carrier proteins from primary metabolic pathways for 2-thiosugar biosynthesis.
Nature, 509, 2014
3T70
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BU of 3t70 by Molmil
5'-Diphenyl Nucleoside Inhibitors of Plasmodium falciparum dUTPase
Descriptor: 2',5'-dideoxy-5'-[(diphenylmethyl)(methyl)amino]uridine, Deoxyuridine 5'-triphosphate nucleotidohydrolase, putative, ...
Authors:Hampton, S.E, Baragana, B, Schipani, A, Bosch-Navarrete, C, Musso-Buendia, A, Recio, E, Kaiser, M, Whittingham, J.L, Roberts, S.M, Shevtsov, M, Brannigan, J.A, Kahnberg, P, Brun, R, Wilson, K.S, Gonzalez-Pacanowska, D, Johansson, N.G, Gilbert, I.H.
Deposit date:2011-07-29
Release date:2012-08-29
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Design, synthesis, and evaluation of 5'-diphenyl nucleoside analogues as inhibitors of the Plasmodium falciparum dUTPase.
Chemmedchem, 6, 2011
6T2W
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BU of 6t2w by Molmil
Crystal structure of the CSF1R kinase domain with a dihydropurinone inhibitor (compound 4)
Descriptor: 2-[(4-methoxy-2-methyl-phenyl)amino]-7-methyl-9-(4-oxidanylcyclohexyl)purin-8-one, Macrophage colony-stimulating factor 1 receptor, SULFATE ION
Authors:Schimpl, M, Goldberg, F.W, Finlay, M.R.V, Ting, A.K.T, Beattie, D, Lamont, G.M, Fallan, C, Wrigley, G.L, Howard, M.R, Williamson, B, Davies, B.R, Cadogan, E.B, Ramos-Montoya, A, Dean, E.
Deposit date:2019-10-09
Release date:2020-01-01
Last modified:2024-05-01
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:The Discovery of 7-Methyl-2-[(7-methyl[1,2,4]triazolo[1,5-a]pyridin-6-yl)amino]-9-(tetrahydro-2H-pyran-4-yl)-7,9-dihydro-8H-purin-8-one (AZD7648), a Potent and Selective DNA-Dependent Protein Kinase (DNA-PK) Inhibitor.
J.Med.Chem., 63, 2020
5HD4
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BU of 5hd4 by Molmil
Dissecting Therapeutic Resistance to ERK Inhibition Rat Wild Type SCH772984 in complex with (3R)-1-(2-oxo-2-{4-[4-(pyrimidin-2-yl)phenyl]piperazin-1-yl}ethyl)-N-[3-(pyridin-4-yl)-2H-indazol-5-yl]pyrrolidine-3-carboxamide
Descriptor: (3R)-1-(2-oxo-2-{4-[4-(pyrimidin-2-yl)phenyl]piperazin-1-yl}ethyl)-N-[3-(pyridin-4-yl)-2H-indazol-5-yl]pyrrolidine-3-carboxamide, DIMETHYL SULFOXIDE, Mitogen-activated protein kinase 1, ...
Authors:Jha, S, Morris, E.J, Hruza, A, Mansueto, M.S, Schroeder, G, Arbanas, J, McMasters, D, Restaino, C.R, Dayananth, R, Black, S, Elsen, N.L, Mannarino, A, Cooper, A, Fawell, S, Zawel, L, Jayaraman, L, Samatar, A.A.
Deposit date:2016-01-04
Release date:2016-02-24
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.45 Å)
Cite:Dissecting Therapeutic Resistance to ERK Inhibition.
Mol.Cancer Ther., 15, 2016
6DTK
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BU of 6dtk by Molmil
Heterodimers of FALS mutant SOD enzyme
Descriptor: COPPER (II) ION, MALONATE ION, Superoxide dismutase C111S/D83S-C111S HETERODIMER, ...
Authors:Streltsov, V.A, Nuttall, S.D, Ganio, K.E, Roberts, B.
Deposit date:2018-06-17
Release date:2019-06-19
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2 Å)
Cite:Structural characterization of heterodimers of FALS mutant SOD enzyme
To Be Published
8AYG
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BU of 8ayg by Molmil
Crystal structure of an intramolecular i-motif at the insulin-linked polymorphic region (ILPR)
Descriptor: Insulin-linked polymorphic region, ILPR DNA (31-MER)
Authors:Parkinson, G.N, Alexandrou, E, Waller, Z.A.E, El-Omari, K.
Deposit date:2022-09-02
Release date:2023-09-13
Method:X-RAY DIFFRACTION (2.25 Å)
Cite:Crystal structure of an intramolecular i-motif at the insulin-linked polymorphic region (ILPR)
To Be Published
5HI1
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BU of 5hi1 by Molmil
Backbone Modifications in the Protein GB1 Helix: Aib24, beta-3-Lys28, beta-3-Lys31, Aib35
Descriptor: ACETATE ION, Immunoglobulin G-binding protein G
Authors:Tavenor, N.A, Reinert, Z.E, Lengyel, G.A, Griffith, B.D, Horne, W.S.
Deposit date:2016-01-11
Release date:2016-02-24
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (2.15 Å)
Cite:Comparison of design strategies for alpha-helix backbone modification in a protein tertiary fold.
Chem.Commun.(Camb.), 52, 2016
6DI2
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BU of 6di2 by Molmil
Crystal structure of eukaryotic DNA primase large subunit iron-sulfur cluster domain Y397L mutant
Descriptor: (4S)-2-METHYL-2,4-PENTANEDIOL, DNA primase large subunit, IRON/SULFUR CLUSTER
Authors:Salay, L.E, Chazin, W.J.
Deposit date:2018-05-22
Release date:2018-12-12
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.32 Å)
Cite:Yeast require redox switching in DNA primase.
Proc. Natl. Acad. Sci. U.S.A., 115, 2018
2DYR
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BU of 2dyr by Molmil
Bovine heart cytochrome C oxidase at the fully oxidized state
Descriptor: (1R)-2-{[{[(2S)-2,3-DIHYDROXYPROPYL]OXY}(HYDROXY)PHOSPHORYL]OXY}-1-[(PALMITOYLOXY)METHYL]ETHYL (11E)-OCTADEC-11-ENOATE, (1S)-2-{[(2-AMINOETHOXY)(HYDROXY)PHOSPHORYL]OXY}-1-[(STEAROYLOXY)METHYL]ETHYL (5E,8E,11E,14E)-ICOSA-5,8,11,14-TETRAENOATE, (7R,17E,20E)-4-HYDROXY-N,N,N-TRIMETHYL-9-OXO-7-[(PALMITOYLOXY)METHYL]-3,5,8-TRIOXA-4-PHOSPHAHEXACOSA-17,20-DIEN-1-AMINIUM 4-OXIDE, ...
Authors:Shinzawa-Itoh, K, Aoyama, H, Muramoto, K, Kurauchi, T, Mizushima, T, Yamashita, E, Tsukihara, T, Yoshikawa, S.
Deposit date:2006-09-16
Release date:2007-04-03
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Structures and physiological roles of 13 integral lipids of bovine heart cytochrome c oxidase
Embo J., 26, 2007
6DIO
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BU of 6dio by Molmil
Structure of class II HMG-CoA reductase from Delftia acidovorans with NAD bound
Descriptor: 1,2-ETHANEDIOL, 3-hydroxy-3-methylglutaryl coenzyme A reductase, CITRIC ACID, ...
Authors:Ragwan, E.R, Arai, E, Kung, Y.
Deposit date:2018-05-23
Release date:2018-09-26
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (2.14 Å)
Cite:New Crystallographic Snapshots of Large Domain Movements in Bacterial 3-Hydroxy-3-methylglutaryl Coenzyme A Reductase.
Biochemistry, 57, 2018
7RP0
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BU of 7rp0 by Molmil
Structural Snapshots of Intermediates in the Gating of a K+ Channel
Descriptor: DIACYL GLYCEROL, KcsA Fab chain A, KcsA Fab chain B, ...
Authors:Reddi, R, Matulef, K, Riederer, E.A, Valiyaveetil, F.I.
Deposit date:2021-08-02
Release date:2021-10-27
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.48 Å)
Cite:Structures of Gating Intermediates in a K + channell.
J.Mol.Biol., 433, 2021
6Z0C
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BU of 6z0c by Molmil
Structure of in silico modelled artificial Maquette-3 protein
Descriptor: Maquette-3, POTASSIUM ION
Authors:Baumgart, M, Roepke, M, Muehlbauer, M.E, Asami, S, Mader, S.L, Fredriksson, K, Groll, M, Gamiz-Hernandez, A.P, Kaila, V.R.I.
Deposit date:2020-05-08
Release date:2021-03-17
Last modified:2024-05-01
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Design of buried charged networks in artificial proteins
Nat Commun, 12, 2021
3SZT
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BU of 3szt by Molmil
Quorum Sensing Control Repressor, QscR, Bound to N-3-oxo-dodecanoyl-L-Homoserine Lactone
Descriptor: N-3-OXO-DODECANOYL-L-HOMOSERINE LACTONE, Quorum-sensing control repressor, SODIUM ION
Authors:Churchill, M.E.A, Lintz, M.J.
Deposit date:2011-07-19
Release date:2011-09-28
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (2.55 Å)
Cite:Crystal structure of QscR, a Pseudomonas aeruginosa quorum sensing signal receptor.
Proc.Natl.Acad.Sci.USA, 108, 2011
2E8W
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BU of 2e8w by Molmil
S. cerevisiae geranylgeranyl pyrophosphate synthase in complex with magnesium and IPP
Descriptor: 3-METHYLBUT-3-ENYL TRIHYDROGEN DIPHOSPHATE, Geranylgeranyl pyrophosphate synthetase, MAGNESIUM ION
Authors:Guo, R.T, Ko, T.P, Chen, C.K.-M, Jeng, W.Y, Chang, T.H, Liang, P.H, Oldfield, E, Wang, A.H.-J.
Deposit date:2007-01-24
Release date:2007-06-12
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (2.35 Å)
Cite:Bisphosphonates target multiple sites in both cis- and trans-prenyltransferases
Proc.Natl.Acad.Sci.Usa, 104, 2007
6DMW
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BU of 6dmw by Molmil
Calmodulin-bound full-length rbTRPV5
Descriptor: CALCIUM ION, Calmodulin-1, Transient receptor potential cation channel subfamily V member 5
Authors:Hughes, T.E.T, Pumroy, R.A, Moiseenkova-Bell, V.Y.
Deposit date:2018-06-05
Release date:2018-10-24
Last modified:2024-03-13
Method:ELECTRON MICROSCOPY (4.4 Å)
Cite:Structural insights on TRPV5 gating by endogenous modulators.
Nat Commun, 9, 2018

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