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2WM3
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BU of 2wm3 by Molmil
Crystal structure of NmrA-like family domain containing protein 1 in complex with niflumic acid
Descriptor: 2-{[3-(TRIFLUOROMETHYL)PHENYL]AMINO}NICOTINIC ACID, CHLORIDE ION, GLYCEROL, ...
Authors:Bhatia, C, Yue, W.W, Niesen, F, Pilka, E, Ugochukwu, E, Savitsky, P, Hozjan, V, Roos, A.K, Filippakopoulos, P, von Delft, F, Heightman, T, Arrowsmith, C, Weigelt, J, Edwards, A, Bountra, C, Oppermann, U.
Deposit date:2009-06-29
Release date:2009-08-04
Last modified:2018-01-24
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Crystal Structure of Nmra-Like Family Domain Containing Protein 1 in Complex with Niflumic Acid
To be Published
2WMD
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BU of 2wmd by Molmil
Crystal structure of NmrA-like family domain containing protein 1 in complex with NADP and 2-(4-chloro-phenylamino)-nicotinic acid
Descriptor: 2-(4-CHLORO-PHENYLAMINO)-NICOTINIC ACID, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, NMRA-LIKE FAMILY DOMAIN CONTAINING PROTEIN 1
Authors:Bhatia, C, Pilka, E, Niesen, F, Yue, W.W, Ugochukwu, E, Savitsky, P, Hozjan, V, Roos, A.K, Filippakopoulos, P, von Delft, F, Heightman, T, Arrowsmith, C, Weigelt, J, Edwards, A, Bountra, C, Oppermann, U.
Deposit date:2009-06-30
Release date:2009-07-28
Last modified:2018-01-24
Method:X-RAY DIFFRACTION (2 Å)
Cite:Crystal Structure of Nmra-Like Family Domain Containing Protein 1
To be Published
3O4R
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BU of 3o4r by Molmil
Crystal Structure of Human Dehydrogenase/Reductase (SDR family) member 4 (DHRS4)
Descriptor: 1,2-ETHANEDIOL, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, Dehydrogenase/reductase SDR family member 4, ...
Authors:Ugochukwu, E, Bhatia, C, Krojer, T, Vollmar, M, Yue, W.W, Bountra, C, Arrowsmith, C.H, Weigelt, J, Edwards, A, von Delft, F, Oppermann, U, Structural Genomics Consortium (SGC)
Deposit date:2010-07-27
Release date:2010-08-04
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Crystal Structure of Human Dehydrogenase/Reductase (SDR family) member 4 (DHRS4)
To be Published
6S73
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BU of 6s73 by Molmil
Crystal structure of Nek7 SRS mutant bound to compound 51
Descriptor: 3-[[6-(cyclohexylmethoxy)-7~{H}-purin-2-yl]amino]-~{N}-[3-(dimethylamino)propyl]benzenesulfonamide, Serine/threonine-protein kinase Nek7
Authors:Nasir, N, Byrne, M.J, Bhatia, C, Bayliss, R.
Deposit date:2019-07-04
Release date:2020-06-10
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (3.5 Å)
Cite:Nek7 conformational flexibility and inhibitor binding probed through protein engineering of the R-spine.
Biochem.J., 477, 2020
3KVO
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BU of 3kvo by Molmil
Crystal structure of the catalytic domain of human Hydroxysteroid dehydrogenase like 2 (HSDL2)
Descriptor: Hydroxysteroid dehydrogenase-like protein 2, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE
Authors:Ugochukwu, E, Bhatia, C, Huang, J, Pilka, E, Muniz, J.R.C, Pike, A.C.W, Krojer, T, von Delft, F, Arrowsmith, C.H, Weigelt, J, Edwards, A, Bountra, C, Verdin, E.M, Oppermann, U, Kavanagh, K.L, Structural Genomics Consortium (SGC)
Deposit date:2009-11-30
Release date:2010-03-09
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.25 Å)
Cite:Crystal structure of the catalytic domain of human Hydroxysteroid dehydrogenase like 2 (HSDL2)
To be Published
6HV0
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BU of 6hv0 by Molmil
IRE1 kinase/RNase in complex with imidazo[1,2-b]pyridazin-8-amine compound 33
Descriptor: 6-chloranyl-3-(2~{H}-indazol-5-yl)-~{N}-propan-2-yl-imidazo[1,2-b]pyridazin-8-amine, Serine/threonine-protein kinase/endoribonuclease IRE1
Authors:Bayliss, R, Bhatia, C, Collins, I.
Deposit date:2018-10-09
Release date:2019-02-27
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2.73 Å)
Cite:Binding to an Unusual Inactive Kinase Conformation by Highly Selective Inhibitors of Inositol-Requiring Enzyme 1 alpha Kinase-Endoribonuclease.
J.Med.Chem., 62, 2019
2JC6
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BU of 2jc6 by Molmil
Crystal structure of human calmodulin-dependent protein kinase 1D
Descriptor: CALCIUM/CALMODULIN-DEPENDENT PROTEIN KINASE TYPE 1D, N-(5-METHYL-1H-PYRAZOL-3-YL)-2-PHENYLQUINAZOLIN-4-AMINE
Authors:Debreczeni, J.E, Rellos, P, Fedorov, O, Niesen, F.H, Bhatia, C, Shrestha, L, Salah, E, Smee, C, Colebrook, S, Berridge, G, Gileadi, O, Bunkoczi, G, Ugochukwu, E, Pike, A.C.W, von Delft, F, Knapp, S, Sundstrom, M, Weigelt, J, Arrowsmith, C.H, Edwards, A.
Deposit date:2006-12-19
Release date:2007-02-13
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Crystal Structure of Human Calmodulin-Dependent Protein Kinase 1D
To be Published
6S76
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BU of 6s76 by Molmil
Crystal structure of human Nek7
Descriptor: DI(HYDROXYETHYL)ETHER, Serine/threonine-protein kinase Nek7
Authors:Nasir, N, Bayliss, R.
Deposit date:2019-07-04
Release date:2020-06-10
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (3.38 Å)
Cite:Nek7 conformational flexibility and inhibitor binding probed through protein engineering of the R-spine.
Biochem.J., 477, 2020
6SK9
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BU of 6sk9 by Molmil
Nek2 bound to purine compound 51
Descriptor: 3-[[6-(cyclohexylmethoxy)-7~{H}-purin-2-yl]amino]-~{N}-[3-(dimethylamino)propyl]benzenesulfonamide, GLYCEROL, Serine/threonine-protein kinase Nek2
Authors:Bayliss, R, Byrne, M.J, Mas-Droux, C.
Deposit date:2019-08-15
Release date:2020-06-17
Method:X-RAY DIFFRACTION (2 Å)
Cite:Nek7 conformational flexibility and inhibitor binding probed through protein engineering of the R-spine.
Biochem.J., 477, 2020
6S75
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BU of 6s75 by Molmil
Crystal structure of Nek7 bound to compound 51
Descriptor: 3-[[6-(cyclohexylmethoxy)-7~{H}-purin-2-yl]amino]-~{N}-[3-(dimethylamino)propyl]benzenesulfonamide, Serine/threonine-protein kinase Nek7
Authors:Nasir, N, Bayliss, R.
Deposit date:2019-07-04
Release date:2020-06-10
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (3.3 Å)
Cite:Nek7 conformational flexibility and inhibitor binding probed through protein engineering of the R-spine.
Biochem.J., 477, 2020
4Z7H
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BU of 4z7h by Molmil
Crystal structure of human IRE1 cytoplasmic kinase-RNase region - complex with imidazopyridine compound 3
Descriptor: 2-methoxy-4-[6-(propan-2-ylamino)imidazo[1,2-b]pyridazin-3-yl]benzamide, SULFATE ION, Serine/threonine-protein kinase/endoribonuclease IRE1
Authors:Joshi, A, Bayliss, R.
Deposit date:2015-04-07
Release date:2015-05-27
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:Molecular mechanisms of human IRE1 activation through dimerization and ligand binding.
Oncotarget, 6, 2015
4Z7G
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BU of 4z7g by Molmil
Crystal structure of human IRE1 cytoplasmic kinase-RNase region - apo
Descriptor: SODIUM ION, Serine/threonine-protein kinase/endoribonuclease IRE1
Authors:Bayliss, R, Joshi, A.
Deposit date:2015-04-07
Release date:2015-05-27
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Molecular mechanisms of human IRE1 activation through dimerization and ligand binding.
Oncotarget, 6, 2015
6HX1
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BU of 6hx1 by Molmil
IRE1 ALPHA IN COMPLEX WITH imidazo[1,2-b]pyridazin-8-amine compound 2
Descriptor: 6-chloranyl-~{N}-(cyclopropylmethyl)-3-(2~{H}-indazol-5-yl)imidazo[1,2-b]pyridazin-8-amine, Serine/threonine-protein kinase/endoribonuclease IRE1
Authors:Augustin, M.A, Krapp, S, Bayliss, R, Collins, I.
Deposit date:2018-10-15
Release date:2019-02-27
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2.14 Å)
Cite:Binding to an Unusual Inactive Kinase Conformation by Highly Selective Inhibitors of Inositol-Requiring Enzyme 1 alpha Kinase-Endoribonuclease.
J.Med.Chem., 62, 2019
2Q3E
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BU of 2q3e by Molmil
Structure of human UDP-glucose dehydrogenase complexed with NADH and UDP-glucose
Descriptor: 1,4-DIHYDRONICOTINAMIDE ADENINE DINUCLEOTIDE, CHLORIDE ION, UDP-glucose 6-dehydrogenase, ...
Authors:Kavanagh, K.L, Guo, K, Bunkoczi, G, Savitsky, P, Pilka, E, Bhatia, C, Smee, C, Berridge, G, von Delft, F, Wiegelt, J, Arrowsmith, C, Sundstrom, M, Edwards, A, Oppermann, U, Structural Genomics Consortium (SGC)
Deposit date:2007-05-30
Release date:2007-07-03
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2 Å)
Cite:Structure and mechanism of human UDP-glucose 6-dehydrogenase.
J.Biol.Chem., 286, 2011
2QG4
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BU of 2qg4 by Molmil
Crystal structure of human UDP-glucose dehydrogenase product complex with UDP-glucuronate
Descriptor: 1,2-ETHANEDIOL, CHLORIDE ION, NICOTINAMIDE-ADENINE-DINUCLEOTIDE, ...
Authors:Kavanagh, K.L, Guo, K, Bunkoczi, G, Savitsky, P, Pilka, E, Bhatia, C, Niesen, F, Smee, C, Berridge, G, von Delft, F, Weigelt, J, Arrowsmith, C.H, Sundstrom, M, Edwards, A, Oppermann, U, Structural Genomics Consortium (SGC)
Deposit date:2007-06-28
Release date:2007-07-10
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Structure and mechanism of human UDP-glucose 6-dehydrogenase.
J.Biol.Chem., 286, 2011
2GDZ
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BU of 2gdz by Molmil
Crystal structure of 15-hydroxyprostaglandin dehydrogenase type1, complexed with NAD+
Descriptor: NAD+-dependent 15-hydroxyprostaglandin dehydrogenase, NICOTINAMIDE-ADENINE-DINUCLEOTIDE
Authors:Pilka, E.S, Guo, K, Kavanagh, K, Von Delft, F, Arrowsmith, C, Weigelt, J, Edwards, A, Sundstrom, M, Oppermann, U, Structural Genomics Consortium (SGC)
Deposit date:2006-03-17
Release date:2006-04-04
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (1.65 Å)
Cite:High-Affinity Inhibitors of Human NAD-Dependent 15-Hydroxyprostaglandin Dehydrogenase: Mechanisms of Inhibition and Structure-Activity Relationships.
Plos One, 5, 2010
3GPC
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BU of 3gpc by Molmil
Crystal structure of human Acyl-CoA synthetase medium-chain family member 2A (L64P mutation) in a complex with CoA
Descriptor: Acyl-coenzyme A synthetase ACSM2A, COENZYME A, MAGNESIUM ION
Authors:Pilka, E.S, Kochan, G.T, Yue, W.W, Bhatia, C, Von Delft, F, Arrowsmith, C.H, Edwards, A.M, Weigelt, J, Bountra, C, Oppermann, U, Structural Genomics Consortium (SGC)
Deposit date:2009-03-23
Release date:2009-04-07
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Structural snapshots for the conformation-dependent catalysis by human medium-chain acyl-coenzyme A synthetase ACSM2A
J.Mol.Biol., 388, 2009
3K2O
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BU of 3k2o by Molmil
Structure of an oxygenase
Descriptor: ACETATE ION, Bifunctional arginine demethylase and lysyl-hydroxylase JMJD6, CHLORIDE ION, ...
Authors:Krojer, T, McDonough, M.A, Clifton, I.J, Mantri, M, Ng, S.S, Pike, A.C.W, Butler, D.S, Webby, C.J, Kochan, G, Bhatia, C, Bray, J.E, Chaikuad, A, Gileadi, O, von Delft, F, Weigelt, J, Arrowsmith, C.H, Bountra, C, Edwards, A.M, Schofield, C.J, Kavanagh, K.L, Oppermann, U, Structural Genomics Consortium (SGC)
Deposit date:2009-09-30
Release date:2009-11-03
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:Crystal Structure of the 2-Oxoglutarate- and Fe(II)-Dependent Lysyl Hydroxylase JMJD6.
J.Mol.Biol., 401, 2010
3C5E
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BU of 3c5e by Molmil
Crystal structure of human acyl-CoA synthetase medium-chain family member 2A (L64P mutation) in complex with ATP
Descriptor: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, ADENOSINE-5'-TRIPHOSPHATE, Acyl-coenzyme A synthetase ACSM2A, ...
Authors:Pilka, E.S, Kochan, G.T, Bhatia, C, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Weigelt, J, Bountra, C, Oppermann, U, Structural Genomics Consortium (SGC)
Deposit date:2008-01-31
Release date:2008-02-26
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Structural snapshots for the conformation-dependent catalysis by human medium-chain acyl-coenzyme A synthetase ACSM2A.
J.Mol.Biol., 388, 2009
3DAY
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BU of 3day by Molmil
Crystal structure of human acyl-CoA synthetase medium-chain family member 2A (L64P mutation) in complex with AMP-CPP
Descriptor: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Acyl-coenzyme A synthetase ACSM2A, mitochondrial precursor, ...
Authors:Pilka, E.S, Kochan, G.T, Yue, W.W, Bhatia, C, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Wikstrom, M, Bountra, C, Oppermann, U, Structural Genomics Consortium (SGC)
Deposit date:2008-05-30
Release date:2008-07-15
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Structural snapshots for the conformation-dependent catalysis by human medium-chain acyl-coenzyme A synthetase ACSM2A.
J.Mol.Biol., 388, 2009
3EQ6
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BU of 3eq6 by Molmil
Crystal structure of human acyl-CoA synthetase medium-chain family member 2A (L64P mutation) in a ternary complex with products
Descriptor: ADENOSINE MONOPHOSPHATE, Acyl-coenzyme A synthetase ACSM2A, Butyryl Coenzyme A
Authors:Pilka, E.S, Kochan, G, Yue, W.W, Bhatia, C, Von delft, F, Arrowsmith, C.H, Edwards, A.M, Weigelt, J, Bountra, C, Oppermann, U, Structural Genomics Consortium (SGC)
Deposit date:2008-09-30
Release date:2008-10-28
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Structural snapshots for the conformation-dependent catalysis by human medium-chain acyl-coenzyme A synthetase ACSM2A
J.Mol.Biol., 388, 2009
2VZE
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BU of 2vze by Molmil
Crystal structure of human acyl-CoA synthetase medium-chain family member 2A (L64P mutation) in complex with AMP
Descriptor: ACYL-COENZYME A SYNTHETASE ACSM2A, MITOCHONDRIAL, ADENOSINE MONOPHOSPHATE, ...
Authors:Yue, W.W, Kochan, G.T, Pilka, E.S, Bhatia, C, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Wikstrom, M, Bountra, C, Oppermann, U.
Deposit date:2008-07-31
Release date:2008-10-14
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (2.45 Å)
Cite:Structural Snapshots for the Conformation- Dependent Catalysis by Human Medium-Chain Acyl- Coenzyme a Synthetase Acsm2A.
J.Mol.Biol., 388, 2009
2WD9
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BU of 2wd9 by Molmil
CRYSTAL STRUCTURE OF HUMAN ACYL-COA SYNTHETASE MEDIUM-CHAIN FAMILY MEMBER 2A (L64P MUTATION) IN COMPLEX WITH IBUPROFEN
Descriptor: ACYL-COENZYME A SYNTHETASE ACSM2A, MITOCHONDRIAL, IBUPROFEN, ...
Authors:Yue, W.W, Kochan, G.T, Pilka, E.S, Bhatia, C, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Weigelt, J, Bountra, C, Oppermann, U.
Deposit date:2009-03-21
Release date:2009-04-21
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Structural Snapshots for the Conformation- Dependent Catalysis by Human Medium-Chain Acyl- Coenzyme a Synthetase Acsm2A.
J.Mol.Biol., 388, 2009
2IHD
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BU of 2ihd by Molmil
Crystal structure of Human Regulator of G-protein signaling 8, RGS8
Descriptor: CHLORIDE ION, Regulator of G-protein signaling 8
Authors:Turnbull, A.P, Papagrigoriou, E, Ugochukwu, E, Salah, E, Gileadi, C, Burgess, N, Bhatia, C, Gileadi, O, Bray, J, Elkins, J, von Delft, F, Weigelt, J, Edwards, A, Arrowsmith, C, Sundstrom, M, Doyle, D.A, Structural Genomics Consortium (SGC)
Deposit date:2006-09-26
Release date:2006-11-21
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Structural diversity in the RGS domain and its interaction with heterotrimeric G protein alpha-subunits.
Proc.Natl.Acad.Sci.Usa, 105, 2008

217705

PDB entries from 2024-03-27

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