3F2O
 
 | | Crystal Structure of human splA/ryanodine receptor domain and SOCS box containing 1 (SPSB1) in complex with a 20-residue VASA peptide | | Descriptor: | 20-mer peptide from ATP-dependent RNA helicase vasa, SPRY domain-containing SOCS box protein 1 | | Authors: | Filippakopoulos, P, Sharpe, T, Keates, T, Murray, J.W, Savitsky, P, Roos, A, Pike, A.C.W, Von Delft, F, Arrowsmith, C.H, Edwards, A.M, Weigelt, J, Bountra, C, Knapp, S, Bullock, A, Structural Genomics Consortium (SGC) | | Deposit date: | 2008-10-30 | | Release date: | 2008-12-09 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (2.05 Å) | | Cite: | Structural basis for Par-4 recognition by the SPRY domain- and SOCS box-containing proteins SPSB1, SPSB2, and SPSB4.
J.Mol.Biol., 401, 2010
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3BHY
 | | Crystal structure of human death associated protein kinase 3 (DAPK3) in complex with a beta-carboline ligand | | Descriptor: | (4R)-7,8-dichloro-1',9-dimethyl-1-oxo-1,2,4,9-tetrahydrospiro[beta-carboline-3,4'-piperidine]-4-carbonitrile, CHLORIDE ION, Death-associated protein kinase 3 | | Authors: | Filippakopoulos, P, Rellos, P, Eswaran, J, Fedorov, O, Berridge, G, Niesen, F, Bracher, F, Huber, K, Pike, A.C.W, Roos, A, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Weigelt, J, Knapp, S, Structural Genomics Consortium (SGC) | | Deposit date: | 2007-11-29 | | Release date: | 2007-12-25 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (1.24 Å) | | Cite: | 7,8-dichloro-1-oxo-beta-carbolines as a versatile scaffold for the development of potent and selective kinase inhibitors with unusual binding modes.
J.Med.Chem., 55, 2012
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2PA5
 | | Crystal structure of human protein tyrosine phosphatase PTPN9 | | Descriptor: | 1,2-ETHANEDIOL, CHLORIDE ION, THIOCYANATE ION, ... | | Authors: | Ugochukwu, E, Barr, A, Pike, A.C.W, Savitsky, P, Papagrigoriou, E, Turnbull, A, Uppenberg, J, Bunkoczi, G, Salah, E, Das, S, von Delft, F, Sundstrom, M, Arrowsmith, C.H, Weigelt, J, Edwards, A, Knapp, S, Structural Genomics Consortium (SGC) | | Deposit date: | 2007-03-27 | | Release date: | 2007-05-15 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | Large-scale structural analysis of the classical human protein tyrosine phosphatome.
Cell(Cambridge,Mass.), 136, 2009
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2OO1
 | | Crystal structure of the Bromo domain 2 of human Bromodomain containing protein 3 (BRD3) | | Descriptor: | 1,2-ETHANEDIOL, 2-(2-(2-(2-(2-(2-ETHOXYETHOXY)ETHOXY)ETHOXY)ETHOXY)ETHOXY)ETHANOL, Bromodomain-containing protein 3, ... | | Authors: | Filippakopoulos, P, Bullock, A, Papagrigoriou, E, Keates, T, Cooper, C, Smee, C, Ugochukwu, E, Debreczeni, J, von Delft, F, Arrowsmith, C, Edwards, A, Weigelt, J, Sundstrom, M, Knapp, S, Structural Genomics Consortium (SGC) | | Deposit date: | 2007-01-25 | | Release date: | 2007-02-13 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Histone recognition and large-scale structural analysis of the human bromodomain family.
Cell(Cambridge,Mass.), 149, 2012
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2OOQ
 | | Crystal Structure of the Human Receptor Phosphatase PTPRT | | Descriptor: | 1,2-ETHANEDIOL, 2-[3-(2-HYDROXY-1,1-DIHYDROXYMETHYL-ETHYLAMINO)-PROPYLAMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Receptor-type tyrosine-protein phosphatase T, ... | | Authors: | Ugochukwu, E, Alfano, I, Barr, A, Keates, T, Eswaran, J, Salah, E, Savitsky, P, Bunkoczi, G, Edwards, A, Arrowsmith, C.H, Weigelt, J, Sundstrom, M, von Delft, F, Knapp, S, Structural Genomics Consortium (SGC) | | Deposit date: | 2007-01-26 | | Release date: | 2007-02-20 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Large-scale structural analysis of the classical human protein tyrosine phosphatome.
Cell(Cambridge,Mass.), 136, 2009
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2P6X
 | | Crystal structure of human tyrosine phosphatase PTPN22 | | Descriptor: | 1,2-ETHANEDIOL, CHLORIDE ION, Tyrosine-protein phosphatase non-receptor type 22 | | Authors: | Ugochukwu, E, Salah, E, Barr, A, Shrestha, L, Alfano, I, Burgess-Brown, N, King, O, Umeano, C, Papagrigoriou, E, Pike, A.C.W, Bunkoczi, G, Turnbull, A, Uppenberg, J, Sundstrom, M, Arrowsmith, C.H, Weigelt, J, Edwards, A, von Delft, F, Knapp, S, Structural Genomics Consortium (SGC) | | Deposit date: | 2007-03-19 | | Release date: | 2007-04-03 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Large-scale structural analysis of the classical human protein tyrosine phosphatome.
Cell(Cambridge,Mass.), 136, 2009
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2P31
 | | Crystal structure of human glutathione peroxidase 7 | | Descriptor: | CHLORIDE ION, Glutathione peroxidase 7 | | Authors: | Kavanagh, K.L, Johansson, C, Papagrigoriou, E, Kochan, G, Umeano, C, Gileadi, O, von Delft, F, Weigelt, J, Arrowsmith, C.H, Sundstrom, M, Edwards, A, Oppermann, U, Structural Genomics Consortium (SGC) | | Deposit date: | 2007-03-08 | | Release date: | 2007-03-20 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Crystal structure of human glutathione peroxidase 7
To be Published
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5ENJ
 | | Crystal structure of the second bromodomain of Pleckstrin homology domain interacting protein (PHIP) in complex with compound-14 N11530 (SGC - Diamond I04-1 fragment screening) | | Descriptor: | MAGNESIUM ION, PH-interacting protein, ~{N}-[[2,6-bis(chloranyl)phenyl]methyl]-~{N}-methyl-ethanamide | | Authors: | Krojer, T, Talon, R, Collins, P, Bradley, A, Cox, O, Szykowska, A, Burgess-Brown, N, Brennan, P, Bountra, C, Arrowsmith, C.H, Edwards, A, von Delft, F, Structural Genomics Consortium (SGC) | | Deposit date: | 2015-11-09 | | Release date: | 2016-04-27 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (1.63 Å) | | Cite: | A poised fragment library enables rapid synthetic expansion yielding the first reported inhibitors of PHIP(2), an atypical bromodomain.
Chem Sci, 7, 2016
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5IGK
 | | Crystal structure of the first bromodomain of human BRD4 in complex with bromosporine (BSP) | | Descriptor: | 1,2-ETHANEDIOL, Bromodomain-containing protein 4, Bromosporine | | Authors: | Filippakopoulos, P, Picaud, S, Felletar, I, von Delft, F, Edwards, A.M, Arrowsmith, C.H, Bountra, C, Knapp, S, Structural Genomics Consortium (SGC) | | Deposit date: | 2016-02-28 | | Release date: | 2016-10-19 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Promiscuous targeting of bromodomains by bromosporine identifies BET proteins as master regulators of primary transcription response in leukemia.
Sci Adv, 2, 2016
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4BL5
 | | Crystal structure of human GDP-L-fucose synthase with bound NADP and product GDP-L-fucose | | Descriptor: | 1,2-ETHANEDIOL, GDP-L-FUCOSE SYNTHASE, GUANOSINE-5'-DIPHOSPHATE-BETA-L-FUCOPYRANOSE, ... | | Authors: | Vollmar, M, Shafqat, N, Rojkova, A, Krojer, T, Bradley, A, Raynor, J.W, Kavanagh, K, von Delft, F, Arrowsmith, C.H, Bountra, C, Edwards, A, Oppermann, U, Yue, W.W. | | Deposit date: | 2013-05-01 | | Release date: | 2014-05-21 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (2.6 Å) | | Cite: | Crystal Structure of Human Gdp-L-Fucose Synthase with Bound Nadp and Product Gdp-L-Fucose
To be Published
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4CUT
 | | Crystal structure of human BAZ2B in complex with fragment-5 N09428 | | Descriptor: | 1,2-ETHANEDIOL, BROMODOMAIN ADJACENT TO ZINC FINGER DOMAIN PROTEIN 2B, N-(4-HYDROXYPHENYL)ACETAMIDE (TYLENOL) | | Authors: | Bradley, A.R, Liu, Y, Krojer, T, Bountra, C, Arrowsmith, C.H, Edwards, A, Knapp, S, von Delft, F. | | Deposit date: | 2014-03-21 | | Release date: | 2014-04-02 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (1.835 Å) | | Cite: | Crystal Structure of Human Baz2B in Complex with Fragment-5 N09428
To be Published
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4AKV
 | | Crystal structure of human sorting nexin 33 (SNX33) | | Descriptor: | SORTING NEXIN-33, SULFATE ION | | Authors: | Oberholzer, A, Froese, D.S, Krojer, T, Shrestha, L, Filippakopoulos, P, Muniz, J.R.C, von Delft, F, Arrowsmith, C, Weigelt, J, Edwards, A, Bountra, C, Yue, W.W. | | Deposit date: | 2012-02-29 | | Release date: | 2012-08-01 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (2.651 Å) | | Cite: | Structure of Human Sorting Nexin 33
To be Published
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4D6S
 | | crystal structure of human JMJD2D in complex with N-OXALYLGLYCINE and bound 5,6-Dimethylbenzimidazole | | Descriptor: | 1,2-ETHANEDIOL, 5,6-DIMETHYLBENZIMIDAZOLE, DIMETHYL SULFOXIDE, ... | | Authors: | Krojer, T, Vollmar, M, Bradley, A, Crawley, L, Szykowska, A, Burgess-Brown, N, Gileadi, C, Johansson, C, Oppermann, U, Bountra, C, Arrowsmith, C.H, Edwards, A, von Delft, F. | | Deposit date: | 2014-11-14 | | Release date: | 2014-12-24 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (1.4 Å) | | Cite: | Crystal Structure of Human Jmjd2D in Complex with N-Oxalylglycine and Bound 5,6- Dimethylbenzimidazole
To be Published
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4BZY
 | | Crystal structure of human glycogen branching enzyme (GBE1) | | Descriptor: | 1,4-ALPHA-GLUCAN-BRANCHING ENZYME | | Authors: | Froese, D.S, Krojer, T, Goubin, S, Strain-Damerell, C, Mahajan, P, von Delft, F, Burgess-Brown, N, Bountra, C, Arrowsmith, C.H, Edwards, A, Yue, W.W. | | Deposit date: | 2013-07-30 | | Release date: | 2013-09-25 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (2.75 Å) | | Cite: | Structural Basis of Glycogen Branching Enzyme Deficiency and Pharmacologic Rescue by Rational Peptide Design.
Hum.Mol.Genet., 24, 2015
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5ENF
 | | Crystal structure of the second bromodomain of Pleckstrin homology domain interacting protein (PHIP) in complex with fragment-4 N10142 (SGC - Diamond I04-1 fragment screening) | | Descriptor: | 1,2-ETHANEDIOL, 5-azanyl-2-(2-methylpropyl)-1,3-oxazole-4-carbonitrile, PH-interacting protein | | Authors: | Krojer, T, Talon, R, Collins, P, Bradley, A, Cox, O, Amin, J, Szykowska, A, Burgess-Brown, N, Spencer, J, Brennan, P, Bountra, C, Arrowsmith, C.H, Edwards, A, von Delft, F, Structural Genomics Consortium (SGC) | | Deposit date: | 2015-11-09 | | Release date: | 2016-04-27 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (1.37 Å) | | Cite: | A poised fragment library enables rapid synthetic expansion yielding the first reported inhibitors of PHIP(2), an atypical bromodomain.
Chem Sci, 7, 2016
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5FBX
 | | Crystal structure of the first bromodomain of human BRD4 in complex with PNZ5 isoxazole inhibitor | | Descriptor: | (3~{S})-5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methyl-3-phenyl-3~{H}-isoindol-1-one, Bromodomain-containing protein 4 | | Authors: | Tallant, C, Clark, P.G.K, Siejka, P, Fedorov, O, Nowak, R, Srikannathasan, V, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Muller, S, Brennan, P.E, Dixon, D, Knapp, S. | | Deposit date: | 2015-12-14 | | Release date: | 2015-12-30 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (1.85 Å) | | Cite: | Crystal structure of the first bromodomain of human BRD4 in complex with PNZ5 isoxazole inhibitor
To Be Published
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5ENH
 | | Crystal structure of the second bromodomain of Pleckstrin homology domain interacting protein (PHIP) in complex with compound-12 N11528 (SGC - Diamond I04-1 fragment screening) | | Descriptor: | PH-interacting protein, ~{N}-[(2,6-dimethoxyphenyl)methyl]ethanamide | | Authors: | Krojer, T, Talon, R, Collins, P, Bradley, A, Cox, O, Szykowska, A, Burgess-Brown, N, Brennan, P, Bountra, C, Arrowsmith, C.H, Edwards, A, von Delft, F, Structural Genomics Consortium (SGC) | | Deposit date: | 2015-11-09 | | Release date: | 2016-04-27 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (1.95 Å) | | Cite: | A poised fragment library enables rapid synthetic expansion yielding the first reported inhibitors of PHIP(2), an atypical bromodomain.
Chem Sci, 7, 2016
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4CVO
 | | Crystal structure of the N-terminal colied-coil domain of human DNA excision repair protein ERCC-6 | | Descriptor: | DNA EXCISION REPAIR PROTEIN ERCC-6, MAGNESIUM ION | | Authors: | Newman, J.A, Krojer, T, von Delft, F, Arrowsmith, C.H, Edwards, A, Bountra, C, Gileadi, O. | | Deposit date: | 2014-03-28 | | Release date: | 2014-04-09 | | Last modified: | 2018-01-24 | | Method: | X-RAY DIFFRACTION (1.85 Å) | | Cite: | Crystal Structure of the N-Terminal Colied-Coil Domain of Human DNA Excision Repair Protein Ercc-6
To be Published
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4CUU
 | | Crystal structure of human BAZ2B in complex with fragment-6 N09645 | | Descriptor: | (2R)-1,2,3,4-tetrahydroquinoline-2,7-diol, 1,2-ETHANEDIOL, BROMODOMAIN ADJACENT TO ZINC FINGER DOMAIN PROTEIN 2B | | Authors: | Bradley, A.R, Liu, Y, Krojer, T, Bountra, C, Arrowsmith, C.H, Edwards, A, Knapp, S, von Delft, F. | | Deposit date: | 2014-03-21 | | Release date: | 2014-04-02 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (1.801 Å) | | Cite: | Crystal Structure of Human Baz2B in Complex with Fragment-6 N09645
To be Published
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5ENB
 | | Crystal structure of the second bromodomain of Pleckstrin homology domain interacting protein (PHIP) in complex with o-Tolylthiourea (SGC - Diamond I04-1 fragment screening) | | Descriptor: | 1,2-ETHANEDIOL, 1-(2-methylphenyl)thiourea, PH-interacting protein | | Authors: | Krojer, T, Talon, R, Collins, P, Bradley, A, Cox, O, Szykowska, A, Burgess-Brown, N, Brennan, P, Bountra, C, Arrowsmith, C.H, Edwards, A, von Delft, F, Structural Genomics Consortium (SGC) | | Deposit date: | 2015-11-09 | | Release date: | 2016-04-27 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (1.73 Å) | | Cite: | A poised fragment library enables rapid synthetic expansion yielding the first reported inhibitors of PHIP(2), an atypical bromodomain.
Chem Sci, 7, 2016
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5ENI
 | | Crystal structure of the second bromodomain of Pleckstrin homology domain interacting protein (PHIP) in complex with compound-13 N11537 (SGC - Diamond I04-1 fragment screening) | | Descriptor: | PH-interacting protein, ~{N}-[[2,6-bis(chloranyl)phenyl]methyl]-2-oxidanyl-ethanamide | | Authors: | Krojer, T, Talon, R, Collins, P, Bradley, A, Cox, O, Szykowska, A, Burgess-Brown, N, Brennan, P, Bountra, C, Arrowsmith, C.H, Edwards, A, von Delft, F, Structural Genomics Consortium (SGC) | | Deposit date: | 2015-11-09 | | Release date: | 2016-04-27 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (1.69 Å) | | Cite: | A poised fragment library enables rapid synthetic expansion yielding the first reported inhibitors of PHIP(2), an atypical bromodomain.
Chem Sci, 7, 2016
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4QTE
 | | Structure of ERK2 in complex with VTX-11e, 4-{2-[(2-CHLORO-4-FLUOROPHENYL)AMINO]-5-METHYLPYRIMIDIN-4-YL}-N-[(1S)-1-(3-CHLOROPHENYL)-2-HYDROXYETHYL]-1H-PYRROLE-2-CARBOXAMIDE | | Descriptor: | 1,2-ETHANEDIOL, 4-{2-[(2-chloro-4-fluorophenyl)amino]-5-methylpyrimidin-4-yl}-N-[(1S)-1-(3-chlorophenyl)-2-hydroxyethyl]-1H-pyrrole-2-carboxamide, CHLORIDE ION, ... | | Authors: | Chaikuad, A, Savitsky, P, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Knapp, S, Structural Genomics Consortium (SGC) | | Deposit date: | 2014-07-07 | | Release date: | 2014-07-23 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (1.5 Å) | | Cite: | A unique inhibitor binding site in ERK1/2 is associated with slow binding kinetics.
Nat.Chem.Biol., 10, 2014
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4B4O
 | | Crystal Structure of human epimerase family protein SDR39U1 (isoform2) with NADPH | | Descriptor: | 2-{2-[2-(2-{2-[2-(2-ETHOXY-ETHOXY)-ETHOXY]-ETHOXY}-ETHOXY)-ETHOXY]-ETHOXY}-ETHANOL, EPIMERASE FAMILY PROTEIN SDR39U1, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE | | Authors: | Vollmar, M, Muniz, J.R.C, Shafqat, N, Picaud, S, Krojer, T, Chaikuad, A, Pike, A.C.W, Yue, W.W, Filippakopoulos, P, Kavanagh, K.L, von Delft, F, Weigelt, J, Arrowsmith, C.H, Bountra, C, Edwards, A, Oppermann, U. | | Deposit date: | 2012-07-31 | | Release date: | 2012-08-29 | | Last modified: | 2018-01-24 | | Method: | X-RAY DIFFRACTION (2.7 Å) | | Cite: | Crystal Structure of Human Epimerase Family Protein Sdr39U1 (Isoform2) with Nadph
To be Published
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5IGL
 | | Crystal structure of the second bromodomain of human TAF1L in complex with bromosporine (BSP) | | Descriptor: | Bromosporine, Transcription initiation factor TFIID subunit 1-like | | Authors: | Filippakopoulos, P, Picaud, S, Felletar, I, Krojer, T, Tallant, C, von Delft, F, Edwards, A.M, Arrowsmith, C.H, Bountra, C, Knapp, S, Structural Genomics Consortium (SGC) | | Deposit date: | 2016-02-28 | | Release date: | 2016-10-19 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Promiscuous targeting of bromodomains by bromosporine identifies BET proteins as master regulators of primary transcription response in leukemia.
Sci Adv, 2, 2016
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4CUS
 | | Crystal structure of human BAZ2B in complex with fragment-4 N09496 | | Descriptor: | 1,2-ETHANEDIOL, BROMODOMAIN ADJACENT TO ZINC FINGER DOMAIN PROTEIN 2B, quinolin-4-ol | | Authors: | Bradley, A.R, Liu, Y, Krojer, T, Bountra, C, Arrowsmith, C.H, Edwards, A, Knapp, S, von Delft, F. | | Deposit date: | 2014-03-21 | | Release date: | 2014-04-02 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (1.783 Å) | | Cite: | Crystal Structure of Human Baz2B in Complex with Fragment-4 N09496
To be Published
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