6GIN
 
 | | Crystal structure of the ACVR1 (ALK2) kinase in complex with an Quinazolinone based ALK2 inhibitor with a 4-morpholinophenyl solvent accessible group. | | Descriptor: | 1,2-ETHANEDIOL, 3-(4-morpholin-4-ylphenyl)-6-quinolin-4-yl-quinazolin-4-one, Activin receptor type-1, ... | | Authors: | Williams, E, Hudson, L, Bezerra, G.A, Kopec, J, Mahajan, P, Kupinska, K, Hoelder, S, Burgess-Brown, N, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Bullock, A.N. | | Deposit date: | 2018-05-14 | | Release date: | 2018-05-23 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Novel Quinazolinone Inhibitors of ALK2 Flip between Alternate Binding Modes: Structure-Activity Relationship, Structural Characterization, Kinase Profiling, and Cellular Proof of Concept.
J. Med. Chem., 61, 2018
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6GR8
 | | Human AURKC INCENP complex bound to BRD-7880 | | Descriptor: | 1-[(2~{R},3~{S})-2-[[1,3-benzodioxol-5-ylmethyl(methyl)amino]methyl]-3-methyl-6-oxidanylidene-5-[(2~{S})-1-oxidanylpropan-2-yl]-3,4-dihydro-2~{H}-1,5-benzoxazocin-8-yl]-3-(4-methoxyphenyl)urea, Aurora kinase C, Inner centromere protein | | Authors: | Abdul Azeez, K.R, Sorrell, F.J, von Delft, F, Bountra, C, Knapp, S, Edwards, A.M, Arrowsmith, C, Elkins, J.M. | | Deposit date: | 2018-06-10 | | Release date: | 2019-05-15 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (1.75 Å) | | Cite: | AURKC INCENP complex bound to BRD-7880
To Be Published
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7FSV
 | | SDCBP PanDDA analysis group deposition -- The PDZ domans of SDCBP in complex with Z1454310449 | | Descriptor: | 1,2-ETHANEDIOL, ALANINE, D-GLUTAMIC ACID, ... | | Authors: | Bradshaw, W.J, Katis, V.L, Bountra, C, von Delft, F, Brennan, P.E. | | Deposit date: | 2023-01-24 | | Release date: | 2023-02-15 | | Last modified: | 2024-05-22 | | Method: | X-RAY DIFFRACTION (2.25 Å) | | Cite: | SDCBP PanDDA analysis group deposition
To Be Published
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6GPL
 | | Crystal structure of human GDP-D-mannose 4,6-dehydratase in complex with GDP-4k6d-Man | | Descriptor: | 1,2-ETHANEDIOL, BICINE, GDP-mannose 4,6 dehydratase, ... | | Authors: | Pfeiffer, M, Krojer, T, Johansson, C, von Delft, F, Bountra, C, Arrowsmith, C.H, Edwards, A, Nidetzky, B, Oppermann, U, Structural Genomics Consortium (SGC) | | Deposit date: | 2018-06-06 | | Release date: | 2018-07-18 | | Last modified: | 2024-05-15 | | Method: | X-RAY DIFFRACTION (1.76 Å) | | Cite: | A Parsimonious Mechanism of Sugar Dehydration by Human GDP-Mannose-4,6-dehydratase.
Acs Catalysis, 9, 2019
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2H4V
 | | Crystal Structure of the Human Tyrosine Receptor Phosphatase Gamma | | Descriptor: | 1,2-ETHANEDIOL, ACETATE ION, CHLORIDE ION, ... | | Authors: | Ugochukwu, E, Barr, A, Das, S, Eswaran, J, Savitsky, P, Sundstrom, M, Edwards, A, Arrowsmith, C, Weigelt, J, Debreczeni, J, von Delft, F, Knapp, S, Structural Genomics Consortium (SGC) | | Deposit date: | 2006-05-25 | | Release date: | 2006-07-11 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (1.55 Å) | | Cite: | Large-scale structural analysis of the classical human protein tyrosine phosphatome.
Cell(Cambridge,Mass.), 136, 2009
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2VX3
 | | Crystal structure of the human dual specificity tyrosine- phosphorylation-regulated kinase 1A | | Descriptor: | CHLORIDE ION, DUAL SPECIFICITY TYROSINE-PHOSPHORYLATION- REGULATED KINASE 1A, HEXAETHYLENE GLYCOL, ... | | Authors: | Roos, A.K, Soundararajan, M, Pike, A.C.W, Federov, O, King, O, Burgess-Brown, N, Philips, C, Filippakopoulos, P, Arrowsmith, C.H, Wikstrom, M, Edwards, A, von Delft, F, Bountra, C, Knapp, S. | | Deposit date: | 2008-06-30 | | Release date: | 2008-09-16 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Structures of Down Syndrome Kinases, Dyrks, Reveal Mechanisms of Kinase Activation and Substrate Recognition.
Structure, 21, 2013
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2HE2
 | | Crystal structure of the 3rd PDZ domain of human discs large homologue 2, DLG2 | | Descriptor: | Discs large homolog 2 | | Authors: | Turnbull, A.P, Phillips, C, Berridge, G, Savitsky, P, Smee, C.E.A, Papagrigoriou, E, Debreczeni, J, Gorrec, F, Elkins, J.M, von Delft, F, Weigelt, J, Edwards, A, Arrowsmith, C, Sundstrom, M, Doyle, D.A, Structural Genomics Consortium (SGC) | | Deposit date: | 2006-06-21 | | Release date: | 2006-07-04 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (1.5 Å) | | Cite: | Structure of PICK1 and other PDZ domains obtained with the help of self-binding C-terminal extensions.
Protein Sci., 16, 2007
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2RFJ
 | | Crystal structure of the bromo domain 1 in human bromodomain containing protein, testis specific (BRDT) | | Descriptor: | Bromodomain testis-specific protein | | Authors: | Filippakopoulos, P, Salah, E, Savitsky, P, Keates, T, Parizotto, E, Elkins, J, Pike, A.C.W, Ugochukwu, E, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Weigelt, J, Sundstrom, M, Knapp, S, Structural Genomics Consortium (SGC) | | Deposit date: | 2007-09-30 | | Release date: | 2007-10-23 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (2.05 Å) | | Cite: | Histone recognition and large-scale structural analysis of the human bromodomain family.
Cell(Cambridge,Mass.), 149, 2012
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7G94
 | | ARHGEF2 PanDDA analysis group deposition -- ARHGEF2 and RhoA in complex with Z1575337975 | | Descriptor: | (2P)-5-fluoro-2-(1H-pyrazol-5-yl)pyridine, DIMETHYL SULFOXIDE, FORMIC ACID, ... | | Authors: | Bradshaw, W.J, Katis, V.L, Bountra, C, von Delft, F, Brennan, P.E. | | Deposit date: | 2023-06-22 | | Release date: | 2023-07-12 | | Last modified: | 2024-05-22 | | Method: | X-RAY DIFFRACTION (1.47 Å) | | Cite: | ARHGEF2 PanDDA analysis group deposition
To Be Published
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7G8T
 | | ARHGEF2 PanDDA analysis group deposition -- ARHGEF2 and RhoA in complex with Z1273312142 | | Descriptor: | 2-ethoxy-3-fluoro-N,N-dimethylbenzamide, DIMETHYL SULFOXIDE, FORMIC ACID, ... | | Authors: | Bradshaw, W.J, Katis, V.L, Bountra, C, von Delft, F, Brennan, P.E. | | Deposit date: | 2023-06-22 | | Release date: | 2023-07-12 | | Last modified: | 2024-05-22 | | Method: | X-RAY DIFFRACTION (1.385 Å) | | Cite: | ARHGEF2 PanDDA analysis group deposition
To Be Published
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7G8A
 | | ARHGEF2 PanDDA analysis group deposition -- ARHGEF2 and RhoA in complex with Z100642432 | | Descriptor: | 2-bromo-4-fluoro-N,N-dimethylbenzamide, DIMETHYL SULFOXIDE, FORMIC ACID, ... | | Authors: | Bradshaw, W.J, Katis, V.L, Bountra, C, von Delft, F, Brennan, P.E. | | Deposit date: | 2023-06-22 | | Release date: | 2023-07-12 | | Last modified: | 2024-05-22 | | Method: | X-RAY DIFFRACTION (1.5 Å) | | Cite: | ARHGEF2 PanDDA analysis group deposition
To Be Published
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2CJZ
 | | crystal structure of the c472s mutant of human protein tyrosine phosphatase ptpn5 (step, striatum enriched phosphatase) in complex with phosphotyrosine | | Descriptor: | 1,2-ETHANEDIOL, HUMAN PROTEIN TYROSINE PHOSPHATASE PTPN5, O-PHOSPHOTYROSINE | | Authors: | Debreczeni, J.E, Barr, A.J, Eswaran, J, Smee, C, Burgess, N, Gileadi, O, Savitsky, P, Sundstrom, M, Arrowsmith, C, Edwards, A, Weigelt, J, Knapp, S, von Delft, F. | | Deposit date: | 2006-04-10 | | Release date: | 2006-05-16 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Large-Scale Structural Analysis of the Classical Human Protein Tyrosine Phosphatome.
Cell(Cambridge,Mass.), 136, 2009
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2BZL
 | | CRYSTAL STRUCTURE OF THE HUMAN PROTEIN TYROSINE PHOSPHATASE N14 AT 1. 65 A RESOLUTION | | Descriptor: | 1,2-ETHANEDIOL, SULFATE ION, TYROSINE-PROTEIN PHOSPHATASE, ... | | Authors: | Debreczeni, J.E, Barr, A, Eswaran, J, Das, S, Burgess, N, Longman, E, Fedorov, O, Gileadi, O, von Delft, F, Sundstrom, M, Arrowsmith, C, Weigelt, J, Edwards, A, Knapp, S. | | Deposit date: | 2005-08-18 | | Release date: | 2005-09-13 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (1.65 Å) | | Cite: | Crystal Structure of Human Protein Tyrosine Phosphatase 14 (Ptpn14) at 1.65-A Resolution.
Proteins, 63, 2006
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2C2N
 | | Structure of human mitochondrial malonyltransferase | | Descriptor: | 1,2-DIMETHOXYETHANE, 2-(2-ETHOXYETHOXY)ETHANOL, 3,6,9,12,15-PENTAOXAHEPTADECAN-1-OL, ... | | Authors: | Wu, X, Bunkoczi, G, Smee, C, Arrowsmith, C, Sundstrom, M, Weigelt, J, Edwards, A, von Delft, F, Oppermann, U. | | Deposit date: | 2005-09-29 | | Release date: | 2006-01-18 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (1.55 Å) | | Cite: | Structural Basis for Different Specificities of Acyltransferases Associated with the Human Cytosolic and Mitochondrial Fatty Acid Synthases.
Chem.Biol., 16, 2009
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2BYD
 | | Structure of aminoadipate-semialdehyde dehydrogenase- phosphopantetheinyl transferase | | Descriptor: | BROMIDE ION, HSPC223 | | Authors: | Bunkoczi, G, Wu, X, Dubinina, E, Johansson, C, Smee, C, Turnbull, A, Oppermann, U, von Delft, F, Arrowsmith, C, Edwards, A, Sundstrom, M, Weigelt, J. | | Deposit date: | 2005-07-29 | | Release date: | 2005-08-05 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Mechanism and substrate recognition of human holo ACP synthase.
Chem. Biol., 14, 2007
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2CG5
 | | Structure of aminoadipate-semialdehyde dehydrogenase- phosphopantetheinyl transferase in complex with cytosolic acyl carrier protein and coenzyme A | | Descriptor: | COENZYME A, FATTY ACID SYNTHASE, L-AMINOADIPATE-SEMIALDEHYDE DEHYDROGENASE-PHOSPHOPANTETHEINYL TRANSFERASE, ... | | Authors: | Bunkoczi, G, Joshi, A, Papagrigoriu, E, Arrowsmith, C, Edwards, A, Sundstrom, M, Weigelt, J, von Delft, F, Smith, S, Oppermann, U. | | Deposit date: | 2006-02-27 | | Release date: | 2006-03-01 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (2.7 Å) | | Cite: | Mechanism and Substrate Recognition of Human Holo Acp Synthase.
Chem.Biol., 14, 2007
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4DYO
 | | Crystal Structure of Human Aspartyl Aminopeptidase (DNPEP) in complex with Aspartic acid Hydroxamate | | Descriptor: | Aspartyl aminopeptidase, GLYCEROL, MAGNESIUM ION, ... | | Authors: | Chaikuad, A, Pilka, E, Vollmar, M, Krojer, T, Muniz, J.R.C, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Weigelt, J, Bountra, C, Kavanagh, K.L, Oppermann, U, Structural Genomics Consortium (SGC) | | Deposit date: | 2012-02-29 | | Release date: | 2012-03-14 | | Last modified: | 2023-12-06 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Structure of human aspartyl aminopeptidase complexed with substrate analogue: insight into catalytic mechanism, substrate specificity and M18 peptidase family.
Bmc Struct.Biol., 12, 2012
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2CDZ
 | | CRYSTAL STRUCTURE OF THE HUMAN P21-ACTIVATED KINASE 4 IN COMPLEX WITH CGP74514A | | Descriptor: | CHLORIDE ION, N2-[(1R,2S)-2-AMINOCYCLOHEXYL]-N6-(3-CHLOROPHENYL)-9-ETHYL-9H-PURINE-2,6-DIAMINE, SERINE/THREONINE-PROTEIN KINASE PAK 4, ... | | Authors: | Debreczeni, J.E, Ugochukwu, E, Eswaran, J, Filippakopoulos, P, Das, S, Fedorov, O, Sundstrom, M, Arrowsmith, C, Weigelt, J, Edwards, A, von Delft, F, Knapp, S. | | Deposit date: | 2006-01-31 | | Release date: | 2006-02-08 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Crystal Structures of the P21-Activated Kinases Pak4, Pak5, and Pak6 Reveal Catalytic Domain Plasticity of Active Group II Paks.
Structure, 15, 2007
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2AG5
 | | Crystal Structure of Human DHRS6 | | Descriptor: | NICOTINAMIDE-ADENINE-DINUCLEOTIDE, SULFATE ION, dehydrogenase/reductase (SDR family) member 6 | | Authors: | Kunde, G, Lukacik, P, Papagrigoriou, E, Sundstrom, M, Arrowsmith, C, Weigelt, J, Edwards, A, Von Delft, F, Oppermann, U, Structural Genomics Consortium (SGC) | | Deposit date: | 2005-07-26 | | Release date: | 2005-08-09 | | Last modified: | 2024-03-13 | | Method: | X-RAY DIFFRACTION (1.84 Å) | | Cite: | Characterization of human DHRS6, an orphan short chain dehydrogenase/reductase enzyme: a novel, cytosolic type 2 R-beta-hydroxybutyrate dehydrogenase
J.Biol.Chem., 281, 2006
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7FSR
 | | SDCBP PanDDA analysis group deposition -- The PDZ domans of SDCBP in complex with Z54615640 | | Descriptor: | 1,2-ETHANEDIOL, ALANINE, D-GLUTAMIC ACID, ... | | Authors: | Bradshaw, W.J, Katis, V.L, Bountra, C, von Delft, F, Brennan, P.E. | | Deposit date: | 2023-01-24 | | Release date: | 2023-02-15 | | Last modified: | 2024-05-22 | | Method: | X-RAY DIFFRACTION (2.29 Å) | | Cite: | SDCBP PanDDA analysis group deposition
To Be Published
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7FT9
 | | SDCBP PanDDA analysis group deposition -- The PDZ domans of SDCBP in complex with Z45636695 | | Descriptor: | 1,2-ETHANEDIOL, 4-[(METHYLSULFONYL)AMINO]BENZOIC ACID, ALANINE, ... | | Authors: | Bradshaw, W.J, Katis, V.L, Bountra, C, von Delft, F, Brennan, P.E. | | Deposit date: | 2023-01-24 | | Release date: | 2023-02-15 | | Last modified: | 2024-05-22 | | Method: | X-RAY DIFFRACTION (1.77 Å) | | Cite: | SDCBP PanDDA analysis group deposition
To Be Published
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7FTA
 | | SDCBP PanDDA analysis group deposition -- The PDZ domans of SDCBP in complex with Z228589380 | | Descriptor: | 1,2-ETHANEDIOL, 3-[(pyrimidin-2-yl)amino]benzoic acid, D-GLUTAMIC ACID, ... | | Authors: | Bradshaw, W.J, Katis, V.L, Bountra, C, von Delft, F, Brennan, P.E. | | Deposit date: | 2023-01-24 | | Release date: | 2023-02-15 | | Last modified: | 2024-05-22 | | Method: | X-RAY DIFFRACTION (2.03 Å) | | Cite: | SDCBP PanDDA analysis group deposition
To Be Published
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7FSJ
 | | SDCBP PanDDA analysis group deposition -- The PDZ domans of SDCBP in complex with Z57744712 | | Descriptor: | 1,2-ETHANEDIOL, ALANINE, D-GLUTAMIC ACID, ... | | Authors: | Bradshaw, W.J, Katis, V.L, Bountra, C, von Delft, F, Brennan, P.E. | | Deposit date: | 2023-01-24 | | Release date: | 2023-02-15 | | Last modified: | 2024-05-22 | | Method: | X-RAY DIFFRACTION (1.97 Å) | | Cite: | SDCBP PanDDA analysis group deposition
To Be Published
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7FSU
 | | SDCBP PanDDA analysis group deposition -- The PDZ domans of SDCBP in complex with Z729726784 | | Descriptor: | 1,2-ETHANEDIOL, 2-cyclopentyl-N-(3-methyl-1,2,4-oxadiazol-5-yl)acetamide, ALANINE, ... | | Authors: | Bradshaw, W.J, Katis, V.L, Bountra, C, von Delft, F, Brennan, P.E. | | Deposit date: | 2023-01-24 | | Release date: | 2023-02-15 | | Last modified: | 2024-05-22 | | Method: | X-RAY DIFFRACTION (1.97 Å) | | Cite: | SDCBP PanDDA analysis group deposition
To Be Published
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7FTB
 | | SDCBP PanDDA analysis group deposition -- The PDZ domans of SDCBP in complex with Z1198269757 | | Descriptor: | 1,2-ETHANEDIOL, D-GLUTAMIC ACID, GLYCINE, ... | | Authors: | Bradshaw, W.J, Katis, V.L, Bountra, C, von Delft, F, Brennan, P.E. | | Deposit date: | 2023-01-24 | | Release date: | 2023-02-15 | | Last modified: | 2024-05-22 | | Method: | X-RAY DIFFRACTION (2.22 Å) | | Cite: | SDCBP PanDDA analysis group deposition
To Be Published
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