5FZ0
 
 | | Crystal structure of the catalytic domain of human JARID1B in complex with 2,5-dichloro-N-(pyridin-3-yl)thiophene-3-carboxamide (N08137b) (ligand modelled based on PANDDA event map, SGC - Diamond I04-1 fragment screening) | | Descriptor: | 1,2-ETHANEDIOL, 2,5-dichloro-N-(pyridin-3-yl)thiophene-3-carboxamide, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, ... | | Authors: | Nowak, R, Krojer, T, Pearce, N, Johansson, C, Gileadi, C, Kupinska, K, Strain-Damerell, C, Szykowska, A, Burgess-Brown, N.A, Arrowsmith, C.H, Bountra, C, Edwards, A.M, von Delft, F, Brennan, P.E, Oppermann, U. | | Deposit date: | 2016-03-10 | | Release date: | 2016-04-06 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (2.42 Å) | | Cite: | Crystal Structure of the Catalytic Domain of Human Jarid1B in Complex with N11213A
To be Published
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5FZ7
 | | Crystal structure of the catalytic domain of human JARID1B in complex with Maybridge fragment ethyl 2-amino-4-thiophen-2-ylthiophene-3- carboxylate (N06131b) (ligand modelled based on PANDDA event map, SGC - Diamond I04-1 fragment screening) | | Descriptor: | 1,2-ETHANEDIOL, CHLORIDE ION, DIMETHYL SULFOXIDE, ... | | Authors: | Nowak, R, Krojer, T, Johansson, C, Kupinska, K, Szykowska, A, Pearce, N, Talon, R, Collins, P, Gileadi, C, Strain-Damerell, C, Burgess-Brown, N.A, Arrowsmith, C.H, Bountra, C, Edwards, A.M, von Delft, F, Brennan, P.E, Oppermann, U. | | Deposit date: | 2016-03-11 | | Release date: | 2016-03-23 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Crystal Structure of the Catalytic Domain of Human Jarid1B in Complex with Maybridge Fragment Ethyl 2-Amino-4-Thiophen-2-Ylthiophene-3-Carboxylate (N06131B) (Ligand Modelled Based on Pandda Event Map, Sgc - Diamond I04-1 Fragment Screening)
To be Published
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5FZG
 | | Crystal structure of the catalytic domain of human JARID1B in complex with MC3948 | | Descriptor: | 1,2-ETHANEDIOL, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, CHLORIDE ION, ... | | Authors: | Nowak, R, Krojer, T, Johansson, C, Gileadi, C, Kupinska, K, Strain-Damerell, C, Szykowska, A, Srikannathasan, V, von Delft, F, Burgess-Brown, N.A, Arrowsmith, C.H, Bountra, C, Edwards, A.M, Rotili, D, Mai, A, Oppermann, U. | | Deposit date: | 2016-03-14 | | Release date: | 2017-03-29 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (1.96 Å) | | Cite: | Crystal Structure of the Catalytic Domain of Human Jarid1B in Complex with Mc3948
To be Published
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5FZB
 | | Crystal structure of the catalytic domain of human JARID1B in complex with Maybridge fragment 4-Pyridylthiourea (N06275b) (ligand modelled based on PANDDA event map, SGC - Diamond I04-1 fragment screening) | | Descriptor: | 1,2-ETHANEDIOL, 1-pyridin-4-ylthiourea, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, ... | | Authors: | Nowak, R, Krojer, T, Johansson, C, Kupinska, K, Szykowska, A, Pearce, N, Talon, R, Collins, P, Gileadi, C, Strain-Damerell, C, Burgess-Brown, N.A, Arrowsmith, C.H, Bountra, C, Edwards, A.M, von Delft, F, Brennan, P.E, Oppermann, U. | | Deposit date: | 2016-03-12 | | Release date: | 2016-03-30 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (2.18 Å) | | Cite: | Crystal Structure of the Catalytic Domain of Human Jarid1B in Complex with Maybridge Fragment 4-Pyridylthiourea (N06275B) (Ligand Modelled Based on Pandda Event Map, Sgc -Diamond I04-1 Fragment Screening)
To be Published
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2UYY
 | | Structure of the cytokine-like nuclear factor n-pac | | Descriptor: | N-PAC PROTEIN, POTASSIUM ION, [(2R,3R,4R,5R)-5-(6-AMINO-9H-PURIN-9-YL)-3-HYDROXY-4-(PHOSPHONOOXY)TETRAHYDROFURAN-2-YL]METHYL [(2R,3S,4S)-3,4-DIHYDROXYTETRAHYDROFURAN-2-YL]METHYL DIHYDROGEN DIPHOSPHATE | | Authors: | Tickle, J, Pilka, E.S, Bunkoczi, G, Berridge, G, Smee, C, Kavanagh, K.L, Hozjan, V, Niesen, F.H, Papagrigoriou, E, Pike, A.C.W, Turnbull, A, Arrowsmith, C.H, Edwards, A, Sundstrom, M, Weigelt, J, von Delft, F, Oppermann, U. | | Deposit date: | 2007-04-20 | | Release date: | 2007-07-03 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | The Structure of the Cytokine-Like Nuclear Factor N-Pac
To be Published
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2VN8
 | | Crystal structure of human Reticulon 4 interacting protein 1 in complex with NADPH | | Descriptor: | CITRIC ACID, GLYCEROL, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, ... | | Authors: | Pike, A.C.W, Guo, K, Elkins, J, Ugochukwu, E, Roos, A.K, Filippakopoulos, P, von Delft, F, Edwards, A, Arrowsmith, C.H, Weigelt, J, Bountra, C, Oppermann, U. | | Deposit date: | 2008-01-31 | | Release date: | 2008-03-18 | | Last modified: | 2018-01-24 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Crystal Structure of Human Reticulon 4 Interacting Protein 1 in Complex with Nadph
To be Published
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2VD7
 | | Crystal Structure of JMJD2A complexed with inhibitor Pyridine-2,4- dicarboxylic acid | | Descriptor: | JMJC DOMAIN-CONTAINING HISTONE DEMETHYLATION PROTEIN 3A, NICKEL (II) ION, PYRIDINE-2,4-DICARBOXYLIC ACID, ... | | Authors: | Ng, S.S, von Delft, F, Pilka, E.S, Kavanagh, K.L, McDonough, M.A, Savitsky, P, Arrowsmith, C.H, Weigelt, J, Edwards, A, Sundstrom, M, Schofield, C.J, Oppermann, U. | | Deposit date: | 2007-10-01 | | Release date: | 2007-11-27 | | Last modified: | 2018-03-28 | | Method: | X-RAY DIFFRACTION (2.25 Å) | | Cite: | Inhibitor scaffolds for 2-oxoglutarate-dependent histone lysine demethylases.
J. Med. Chem., 51, 2008
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2UXW
 | | Crystal structure of human very long chain acyl-CoA dehydrogenase (ACADVL) | | Descriptor: | 1,2-ETHANEDIOL, FLAVIN-ADENINE DINUCLEOTIDE, TRANS DELTA2 PALMITENOYL-COENZYMEA, ... | | Authors: | Pike, A.C.W, Hozjan, V, Smee, C, Berridge, G, Burgess, N, Salah, E, Bunkoczi, G, Uppenberg, J, Ugochukwu, E, von Delft, F, Arrowsmith, C.H, Edwards, A, Weigelt, J, Sundstrom, M, Oppermann, U. | | Deposit date: | 2007-03-30 | | Release date: | 2007-05-01 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (1.45 Å) | | Cite: | Crystal Structure of Human Very Long Chain Acyl- Coa Dehydrogenase (Acadvl)
To be Published
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2VIG
 | | Crystal structure of human short-chain acyl CoA dehydrogenase | | Descriptor: | 1,2-ETHANEDIOL, COENZYME A PERSULFIDE, FLAVIN-ADENINE DINUCLEOTIDE, ... | | Authors: | Pike, A.C.W, Pantic, N, Parizotto, E, Gileadi, O, Ugochukwu, E, von Delft, F, Weigelt, J, Arrowsmith, C.H, Edwards, A, Oppermann, U. | | Deposit date: | 2007-11-30 | | Release date: | 2007-12-25 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Crystal Structure of Human Short-Chain Acyl Coa Dehydrogenase
To be Published
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2VRF
 | | CRYSTAL STRUCTURE OF THE HUMAN BETA-2-SYNTROPHIN PDZ DOMAIN | | Descriptor: | 1,2-ETHANEDIOL, BETA-2-SYNTROPHIN | | Authors: | Sun, Z, Roos, A.K, Pike, A.C.W, Pilka, E.S, Cooper, C, Elkins, J.M, Murray, J, Arrowsmith, C.H, Doyle, D, Edwards, A, von Delft, F, Bountra, C, Oppermann, U. | | Deposit date: | 2008-03-31 | | Release date: | 2008-04-22 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Crystal Structure of the Human Beta-2-Syntrophin Pdz Domain
To be Published
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2VWR
 | | Crystal structure of the second pdz domain of numb-binding protein 2 | | Descriptor: | LIGAND OF NUMB PROTEIN X 2 | | Authors: | Roos, A.K, Guo, K, Burgess-Brown, N, Yue, W.W, Elkins, J.M, Pike, A.C.W, Filippakopoulos, P, Arrowsmith, C.H, Wikstom, M, Edwards, A, von Delft, F, Bountra, C, Doyle, D, Oppermann, U. | | Deposit date: | 2008-06-26 | | Release date: | 2008-09-16 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (1.3 Å) | | Cite: | Crystal Structure of the Second Pdz Domain of the Human Numb-Binding Protein 2
To be Published
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2VZE
 | | 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
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2W4F
 | | CRYSTAL STRUCTURE OF THE FIRST PDZ DOMAIN OF HUMAN SCRIB1 | | Descriptor: | 1,2-ETHANEDIOL, PROTEIN LAP4 | | Authors: | Hozjan, V, Pilka, E.S, Roos, A.K, W Yue, W, Phillips, C, Bray, J, Cooper, C, Salah, E, Elkins, J.M, Muniz, J.R.C, Arrowsmith, C.H, Weigelt, J, Edwards, A.M, von Delft, F, Bountra, C, Doyle, D.A, Oppermann, U. | | Deposit date: | 2008-11-25 | | Release date: | 2008-12-09 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (1.3 Å) | | Cite: | Crystal Structure of the First Pdz Domain of Human Scrib1
To be Published
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2W98
 | | CRYSTAL STRUCTURE OF HUMAN ZINC-BINDING ALCOHOL DEHYDROGENASE 1 (ZADH1) IN TERNARY COMPLEX WITH NADP AND PHENYLBUTAZONE | | Descriptor: | (2S)-2-hydroxybutanedioic acid, 4-BUTYL-1,2-DIPHENYL-PYRAZOLIDINE-3,5-DIONE, CHLORIDE ION, ... | | Authors: | Shafqat, N, Yue, W.W, Muniz, J, Picaud, S, Niesen, F, Arrowsmith, C, Weigelt, J, Edwards, A, Bountra, C, Oppermann, U. | | Deposit date: | 2009-01-22 | | Release date: | 2009-04-07 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (1.85 Å) | | Cite: | Crystal Structure of Human Zinc-Binding Alcohol Dehydrogenase 1
To be Published
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2WBI
 | | Crystal structure of human acyl-CoA dehydrogenase 11 | | Descriptor: | ACYL-COA DEHYDROGENASE FAMILY MEMBER 11, FLAVIN-ADENINE DINUCLEOTIDE, PHOSPHATE ION, ... | | Authors: | Muniz, J.R.C, Guo, K, Savitsky, P, Roos, A, Yue, W, Pilka, E, von Delft, F, Edwards, A.M, Bountra, C, Arrowsmith, C.H, Weigelt, J, Oppermann, U. | | Deposit date: | 2009-02-28 | | Release date: | 2009-05-12 | | Last modified: | 2018-01-24 | | Method: | X-RAY DIFFRACTION (2.8 Å) | | Cite: | Crystal Structure of Human Acyl-Coa Dehydrogenase 11
To be Published
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2VSV
 | | Crystal structure of the PDZ domain of human rhophilin-2 | | Descriptor: | RHOPHILIN-2 | | Authors: | Pike, A.C.W, Kochan, G, Sun, Z, Shafqat, N, Pilka, E.S, Roos, A, Elkins, J, Burgess-Brown, N, Murray, J.W, von Delft, F, Wikstrom, M, Edwards, A, Arrowsmith, C.H, Bountra, C, Oppermann, U. | | Deposit date: | 2008-04-29 | | Release date: | 2008-07-15 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (1.82 Å) | | Cite: | Crystal Structure of the Pdz Domain of Human Rhophilin-2
To be Published
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2VSP
 | | Crystal structure of the fourth PDZ domain of PDZ domain-containing protein 1 | | Descriptor: | PDZ DOMAIN-CONTAINING PROTEIN 1 | | Authors: | Yue, W.W, Shafqat, N, Pilka, E.S, Johansson, C, Murray, J.W, Elkins, J, Roos, A, Cooper, C, Phillips, C, Salah, E, von Delft, F, Doyle, D, Edwards, A, Wikstrom, M, Arrowsmith, C, Bountra, C, Oppermann, U. | | Deposit date: | 2008-04-28 | | Release date: | 2009-03-03 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (2.41 Å) | | Cite: | Crystal Structure of the Fourth Pdz Domain of Pdz Domain-Containing Protein 1
To be Published
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2W4Q
 | | Crystal structure of human zinc-binding alcohol dehydrogenase 1 (ZADH1) in ternary complex with NADP and 18beta-glycyrrhetinic acid | | Descriptor: | (3BETA,5BETA,14BETA)-3-HYDROXY-11-OXOOLEAN-12-EN-29-OIC ACID, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, PROSTAGLANDIN REDUCTASE 2, ... | | Authors: | Shafqat, N, Yue, W.W, Ugochukwu, E, Picaud, S, Niesen, F, Arrowsmith, C, Weigelt, J, Edwards, A, Bountra, C, Oppermann, U. | | Deposit date: | 2008-11-30 | | Release date: | 2009-01-20 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Crystal Structure of Human Zinc-Binding Alcohol Dehydrogenase 1
To be Published
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2VZ5
 | | Structure of the PDZ domain of Tax1 (human T-cell leukemia virus type I) binding protein 3 | | Descriptor: | CHLORIDE ION, IMIDAZOLE, TAX1-BINDING PROTEIN 3, ... | | Authors: | Murray, J.W, Shafqat, N, Yue, W, Pilka, E, Johannsson, C, Salah, E, Cooper, C, Elkins, J.M, Pike, A.C, Roos, A, Filippakopoulos, P, von Delft, F, Wickstroem, M, Bountra, C, Edwards, A.M, Arrowsmith, C.H, Oppermann, U. | | Deposit date: | 2008-07-30 | | Release date: | 2008-08-12 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (1.738 Å) | | Cite: | The Structure of the Pdz Domain of Tax1BP
To be Published
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2W2J
 | | Crystal structure of the human carbonic anhydrase related protein VIII | | Descriptor: | CARBONIC ANHYDRASE-RELATED PROTEIN, CHLORIDE ION, GLYCEROL, ... | | Authors: | Kramm, A, Muniz, J.R.C, Picaud, S.S, von Delft, F, Pilka, E.S, Yue, W.W, King, O.N.F, Kochan, G, Pike, A.C.W, Filippakopoulos, P, Arrowsmith, C, Wikstrom, M, Edwards, A, Bountra, C, Oppermann, U. | | Deposit date: | 2008-10-31 | | Release date: | 2009-02-03 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | Crystal Structure of Human Carbonic Anhydrase-Related Protein Viii Reveals the Basis for Catalytic Silencing.
Proteins, 76, 2009
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2W2I
 | | Crystal structure of the human 2-oxoglutarate oxygenase LOC390245 | | Descriptor: | 2-OXOGLUTARATE OXYGENASE, GLYCEROL, NICKEL (II) ION, ... | | Authors: | Yue, W.W, Ng, S, Shafqat, N, Ugochukwu, E, McDonough, M, Pike, A.C.W, Filippakopoulos, P, von Delft, F, Arrowsmith, C, Weigelt, J, Edwards, A, Bountra, C, Schofield, C, Oppermann, U. | | Deposit date: | 2008-10-31 | | Release date: | 2009-01-20 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Structural and Evolutionary Basis for the Dual Substrate Selectivity of Human Kdm4 Histone Demethylase Family.
J.Biol.Chem., 286, 2011
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2WD9
 | | 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
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2W4M
 | | The Crystal Structure of human N-acetylneuraminic acid phosphatase, NANP | | Descriptor: | CHLORIDE ION, N-ACYLNEURAMINATE-9-PHOSPHATASE, PHOSPHATE ION, ... | | Authors: | Ugochukwu, E, Cocking, R, Yue, W.W, Pike, A.C.W, Roos, A, Muniz, J.R.C, von Delft, F, Bountra, C, Arrowsmith, C.H, Weigelt, J, Edwards, A, Oppermann, U. | | Deposit date: | 2008-11-28 | | Release date: | 2008-12-23 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (2.6 Å) | | Cite: | The Crystal Structure of Human N-Acetylneuraminic Acid Phosphatase, Nanp
To be Published
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2WEK
 | | Crystal structure of the human MGC45594 gene product in complex with diclofenac | | Descriptor: | 2-[2,6-DICHLOROPHENYL)AMINO]BENZENEACETIC ACID, CHLORIDE ION, GLYCEROL, ... | | Authors: | Shafqat, N, Yue, W.W, Ugochukwu, E, Niesen, F, Smee, C, Arrowsmith, C, Weigelt, J, Edwards, A, Bountra, C, Oppermann, U. | | Deposit date: | 2009-03-31 | | Release date: | 2009-12-15 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Crystal Structure of the Human Mgc45594 Gene Product in Complex with Diclofenac
To be Published
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2VRE
 | | crystal structure of human peroxisomal delta3,5,delta2,4-dienoyl coa isomerase | | Descriptor: | CHLORIDE ION, DELTA(3,5)-DELTA(2,4)-DIENOYL-COA ISOMERASE | | Authors: | Yue, W, Guo, K, von Delft, F, Pilka, E, Murray, J, Roos, A, Kochan, G, Bountra, C, Arrowsmith, C, Wikstrom, M, Edwards, A, Oppermann, U. | | Deposit date: | 2008-03-31 | | Release date: | 2008-04-15 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (1.95 Å) | | Cite: | Crystal Structure of Human Peroxisomal Delta3,5, Delta2,4-Dienoyl Coa Isomerase (Ech1)
To be Published
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