5AO4
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7OXU
| VDR complex - calcitroic acid | Descriptor: | Mediator of RNA polymerase II transcription subunit 1, Vitamin D3 receptor A, calcitroic acid | Authors: | Rochel, N, Arnold, L.A. | Deposit date: | 2021-06-23 | Release date: | 2022-07-13 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2.39 Å) | Cite: | VDR complex - calcitroic acid To Be Published
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6P0P
| Human beta-tryptase co-crystal structure with 5-{4-[3-(aminomethyl)phenyl]piperidine-1-carbonyl}-2-(3'-{4-[3-(aminomethyl)phenyl]piperidine-1-carbonyl}-[1,1'-biphenyl]-3-yl)-2-hydroxy-2H-1,3,2-benzodioxaborol-2-uide | Descriptor: | (3'-{4-[3-(aminomethyl)phenyl]piperidine-1-carbonyl}[1,1'-biphenyl]-3-yl){4-[3-(aminomethyl)phenyl]piperidin-1-yl}[3,4-di(hydroxy-kappaO)phenyl]methanonato(2-)hydroxyborate(1-), 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, SULFATE ION, ... | Authors: | Giardina, S.F, Pingle, M.R, Werner, D.S, Feinberg, P.B, Foreman, K.W, Bergstrom, D.E, Arnold, L.D, Barany, F. | Deposit date: | 2019-05-17 | Release date: | 2020-03-25 | Last modified: | 2024-10-30 | Method: | X-RAY DIFFRACTION (2.55 Å) | Cite: | Novel, Self-Assembling Dimeric Inhibitors of Human beta Tryptase. J.Med.Chem., 63, 2020
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6TXC
| Crystal structure of tetrameric human wt-SAMHD1 (residues 109-626) with GTP, dATP, dCMPNPP and Mg | Descriptor: | 2'-DEOXYADENOSINE 5'-TRIPHOSPHATE, 2'-deoxy-5'-O-[(R)-hydroxy{[(R)-hydroxy(phosphonooxy)phosphoryl]amino}phosphoryl]cytidine, Deoxynucleoside triphosphate triphosphohydrolase SAMHD1, ... | Authors: | Morris, E.R, Kunzelmann, S, Caswell, S.J, Arnold, L.H, Purkiss, A, Kelly, G, Taylor, I.A. | Deposit date: | 2020-01-14 | Release date: | 2020-06-24 | Last modified: | 2024-10-16 | Method: | X-RAY DIFFRACTION (2.84 Å) | Cite: | Crystal structures of SAMHD1 inhibitor complexes reveal the mechanism of water-mediated dNTP hydrolysis. Nat Commun, 11, 2020
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6TXF
| Crystal structure of tetrameric human D137N-SAMHD1 (residues 109-626) with XTP, dAMPNPP and Mn | Descriptor: | 2'-deoxy-5'-O-[(R)-hydroxy{[(R)-hydroxy(phosphonooxy)phosphoryl]amino}phosphoryl]adenosine, Deoxynucleoside triphosphate triphosphohydrolase SAMHD1, FE (III) ION, ... | Authors: | Morris, E.R, Kunzelmann, S, Caswell, S.J, Arnold, L.H, Purkiss, A.G, Kelly, G, Taylor, I.A. | Deposit date: | 2020-01-14 | Release date: | 2020-06-24 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (2.25 Å) | Cite: | Crystal structures of SAMHD1 inhibitor complexes reveal the mechanism of water-mediated dNTP hydrolysis. Nat Commun, 11, 2020
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6TX0
| Crystal structure of tetrameric human D137N-SAMHD1 (residues 109-626) with XTP, dAMPNPP and Mg | Descriptor: | 2'-deoxy-5'-O-[(R)-hydroxy{[(R)-hydroxy(phosphonooxy)phosphoryl]amino}phosphoryl]adenosine, Deoxynucleoside triphosphate triphosphohydrolase SAMHD1, FE (III) ION, ... | Authors: | Morris, E.R, Kunzelmann, S, Caswell, S.J, Arnold, L.H, Purkiss, A.G, Kelly, G, Taylor, I.A. | Deposit date: | 2020-01-13 | Release date: | 2020-06-24 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (2.01 Å) | Cite: | Crystal structures of SAMHD1 inhibitor complexes reveal the mechanism of water-mediated dNTP hydrolysis. Nat Commun, 11, 2020
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5ORL
| Crystal structure of Aurora-A kinase in complex with an allosterically binding fragment | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, Aurora kinase A, CHLORIDE ION, ... | Authors: | McIntyre, P.J, Collins, P.M, Vrzal, L, Birchall, K, Arnold, L.H, Mpamhanga, C, Coombs, P.J, Burgess, S.G, Richards, M.W, Winter, A, Veverka, V, von Delft, F, Merritt, A, Bayliss, R. | Deposit date: | 2017-08-16 | Release date: | 2017-11-01 | Last modified: | 2017-11-29 | Method: | X-RAY DIFFRACTION (1.69 Å) | Cite: | Characterization of Three Druggable Hot-Spots in the Aurora-A/TPX2 Interaction Using Biochemical, Biophysical, and Fragment-Based Approaches. ACS Chem. Biol., 12, 2017
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6YOM
| Crystal structure of tetrameric human D137N-SAMHD1 (residues 109-626) with XTP, dATP, dCMPNPP, Mn and Mg | Descriptor: | 2'-DEOXYADENOSINE 5'-TRIPHOSPHATE, 2'-deoxy-5'-O-[(R)-hydroxy{[(R)-hydroxy(phosphonooxy)phosphoryl]amino}phosphoryl]cytidine, Deoxynucleoside triphosphate triphosphohydrolase SAMHD1, ... | Authors: | Morris, E.R, Kunzelmann, S, Caswell, S.J, Arnold, L.H, Purkiss, A.G, Kelly, G, Taylor, I.A. | Deposit date: | 2020-04-14 | Release date: | 2020-06-24 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (3.25 Å) | Cite: | Crystal structures of SAMHD1 inhibitor complexes reveal the mechanism of water-mediated dNTP hydrolysis. Nat Commun, 11, 2020
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6XU1
| Crystal structure of tetrameric human H215A-SAMHD1 (residues 109-626) with GTP, dAMPNPP and Mg | Descriptor: | 2'-deoxy-5'-O-[(R)-hydroxy{[(R)-hydroxy(phosphonooxy)phosphoryl]amino}phosphoryl]adenosine, Deoxynucleoside triphosphate triphosphohydrolase SAMHD1, FE (III) ION, ... | Authors: | Morris, E.R, Kunzelmann, S, Caswell, S.J, Arnold, L.H, Purkiss, A.G, Kelly, G, Taylor, I.A. | Deposit date: | 2020-01-17 | Release date: | 2020-06-24 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Crystal structures of SAMHD1 inhibitor complexes reveal the mechanism of water-mediated dNTP hydrolysis. Nat Commun, 11, 2020
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6TXA
| Crystal structure of tetrameric human D137N-SAMHD1 (residues 109-626) with XTP, dGMPNPP and Mg | Descriptor: | 2'-deoxy-5'-O-[(R)-hydroxy{[(R)-hydroxy(phosphonooxy)phosphoryl]amino}phosphoryl]guanosine, Deoxynucleoside triphosphate triphosphohydrolase SAMHD1, FE (III) ION, ... | Authors: | Morris, E.R, Kunzelmann, S, Caswell, S.J, Arnold, L.H, Purkiss, A, Kelly, G, Taylor, I.A. | Deposit date: | 2020-01-13 | Release date: | 2020-06-24 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (2.853 Å) | Cite: | Crystal structures of SAMHD1 inhibitor complexes reveal the mechanism of water-mediated dNTP hydrolysis. Nat Commun, 11, 2020
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6TXE
| Crystal structure of tetrameric human wt-SAMHD1 (residues 109-626) with GTP, dATP, dTMPNPP and Mg | Descriptor: | 2'-DEOXYADENOSINE 5'-TRIPHOSPHATE, 5'-O-[(R)-hydroxy{[(R)-hydroxy(phosphonooxy)phosphoryl]amino}phosphoryl]thymidine, Deoxynucleoside triphosphate triphosphohydrolase SAMHD1, ... | Authors: | Morris, E.R, Kunzelmann, S, Caswell, S.J, Arnold, L.H, Purkiss, A.G, Kelly, G, Taylor, I.A. | Deposit date: | 2020-01-14 | Release date: | 2020-06-24 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (3.19 Å) | Cite: | Crystal structures of SAMHD1 inhibitor complexes reveal the mechanism of water-mediated dNTP hydrolysis. Nat Commun, 11, 2020
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3RU0
| Cocrystal structure of human SMYD3 with inhibitor Sinefungin bound | Descriptor: | SET and MYND domain-containing protein 3, SINEFUNGIN, ZINC ION | Authors: | Foreman, K.W, Brown, M, Park, F, Emtage, S, Harriss, J, Das, C, Zhu, L, Crew, A, Arnold, L, Shaaban, S, Tucker, P. | Deposit date: | 2011-05-04 | Release date: | 2011-05-18 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (1.849 Å) | Cite: | Structural and Functional Profiling of the Human Histone Methyltransferase SMYD3. Plos One, 6, 2011
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4ZGN
| Structure Cdc123 complexed with the C-terminal domain of eIF2gamma | Descriptor: | ADENOSINE-5'-TRIPHOSPHATE, Cell division cycle protein 123, Eukaryotic translation initiation factor 2 subunit gamma, ... | Authors: | Panvert, M, Dubiez, E, Arnold, L, Perez, J, Seufert, W, Mechulam, Y, Schmitt, E. | Deposit date: | 2015-04-23 | Release date: | 2015-09-30 | Last modified: | 2024-10-23 | Method: | X-RAY DIFFRACTION (2.9 Å) | Cite: | Cdc123, a Cell Cycle Regulator Needed for eIF2 Assembly, Is an ATP-Grasp Protein with Unique Features. Structure, 23, 2015
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4ZGQ
| Structure of Cdc123 bound to eIF2-gammaDIII domain | Descriptor: | Cell division cycle protein 123, Eukaryotic translation initiation factor 2 subunit gamma | Authors: | Panvert, M, Dubiez, E, Arnold, L, Perez, J, Seufert, W, Mechulam, Y, Schmitt, E. | Deposit date: | 2015-04-23 | Release date: | 2015-10-14 | Method: | X-RAY DIFFRACTION (3 Å) | Cite: | Cdc123, a Cell Cycle Regulator Needed for eIF2 Assembly, Is an ATP-Grasp Protein with Unique Features. Structure, 23, 2015
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4ZGO
| Structure of C-terminally truncated Cdc123 from Schizosaccharomyces pombe | Descriptor: | Cell division cycle protein 123 | Authors: | Panvert, M, Dubiez, E, Arnold, L, Perez, J, Seufert, W, Mechulam, Y, Schmitt, E. | Deposit date: | 2015-04-23 | Release date: | 2015-09-30 | Last modified: | 2024-05-01 | Method: | X-RAY DIFFRACTION (2.063 Å) | Cite: | Cdc123, a Cell Cycle Regulator Needed for eIF2 Assembly, Is an ATP-Grasp Protein with Unique Features. Structure, 23, 2015
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4ZGP
| Structure of Cdc123 from Schizosaccharomyces pombe | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, Cell division cycle protein 123 | Authors: | Panvert, M, Dubiez, E, Arnold, L, Perez, J, Seufert, W, Mechulam, Y, Schmitt, E. | Deposit date: | 2015-04-23 | Release date: | 2015-10-14 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.85 Å) | Cite: | Cdc123, a Cell Cycle Regulator Needed for eIF2 Assembly, Is an ATP-Grasp Protein with Unique Features. Structure, 23, 2015
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2PCP
| ANTIBODY FAB COMPLEXED WITH PHENCYCLIDINE | Descriptor: | 1-(PHENYL-1-CYCLOHEXYL)PIPERIDINE, IMMUNOGLOBULIN | Authors: | Lim, K, Owens, S.M, Arnold, L, Sacchettini, J.C, Linthicum, D.S. | Deposit date: | 1998-06-02 | Release date: | 1999-01-27 | Last modified: | 2023-08-09 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Crystal structure of monoclonal 6B5 Fab complexed with phencyclidine. J.Biol.Chem., 273, 1998
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8UDV
| The X-RAY co-crystal structure of human FGFR3 V555M and Compound 17 | Descriptor: | 1,2-ETHANEDIOL, 3-[(6-chloro-1-cyclopropyl-1H-benzimidazol-5-yl)ethynyl]-1-[(3S,5S)-5-(methoxymethyl)-1-(prop-2-enoyl)pyrrolidin-3-yl]-5-(methylamino)-1H-pyrazole-4-carboxamide, Fibroblast growth factor receptor 3, ... | Authors: | Tyhonas, J.S, Arnold, L.D, Cox, J, Franovic, A, Gardiner, E, Grandinetti, K, Kania, R, Kanouni, T, Lardy, M, Li, C, Martin, E.S, Miller, N, Mohan, A, Murphy, E.A, Perez, M, Soroceanu, L, Timple, N, Uryu, S, Womble, S, Kaldor, S.W. | Deposit date: | 2023-09-29 | Release date: | 2024-02-07 | Last modified: | 2024-10-30 | Method: | X-RAY DIFFRACTION (2.348 Å) | Cite: | Discovery of KIN-3248, An Irreversible, Next Generation FGFR Inhibitor for the Treatment of Advanced Tumors Harboring FGFR2 and/or FGFR3 Gene Alterations. J.Med.Chem., 67, 2024
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8UDU
| The X-RAY co-crystal structure of human FGFR3 and Compound 17 | Descriptor: | 3-[(6-chloro-1-cyclopropyl-1H-benzimidazol-5-yl)ethynyl]-1-[(3S,5S)-5-(methoxymethyl)-1-(prop-2-enoyl)pyrrolidin-3-yl]-5-(methylamino)-1H-pyrazole-4-carboxamide, CHLORIDE ION, Fibroblast growth factor receptor 3 | Authors: | Tyhonas, J.S, Arnold, L.D, Cox, J, Franovic, A, Gardiner, E, Grandinetti, K, Kania, R, Kanouni, T, Lardy, M, Li, C, Martin, E.S, Miller, N, Mohan, A, Murphy, E.A, Perez, M, Soroceanu, L, Timple, N, Uryu, S, Womble, S, Kaldor, S.W. | Deposit date: | 2023-09-29 | Release date: | 2024-02-07 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (1.737 Å) | Cite: | Discovery of KIN-3248, An Irreversible, Next Generation FGFR Inhibitor for the Treatment of Advanced Tumors Harboring FGFR2 and/or FGFR3 Gene Alterations. J.Med.Chem., 67, 2024
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8UDT
| The X-RAY co-crystal structure of human FGFR3 and KIN-3248 | Descriptor: | 3-[(1-cyclopropyl-4,6-difluoro-1H-benzimidazol-5-yl)ethynyl]-1-[(3R,5R)-5-(methoxymethyl)-1-propanoylpyrrolidin-3-yl]-5-(methylamino)-1H-pyrazole-4-carboxamide, D-MALATE, Fibroblast growth factor receptor 3 | Authors: | Tyhonas, J.S, Arnold, L.D, Cox, J, Franovic, A, Gardiner, E, Grandinetti, K, Kania, R, Kanouni, T, Lardy, M, Li, C, Martin, E.S, Miller, N, Mohan, A, Murphy, E.A, Perez, M, Soroceanu, L, Timple, N, Uryu, S, Womble, S, Kaldor, S.W. | Deposit date: | 2023-09-29 | Release date: | 2024-02-07 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (2.829 Å) | Cite: | Discovery of KIN-3248, An Irreversible, Next Generation FGFR Inhibitor for the Treatment of Advanced Tumors Harboring FGFR2 and/or FGFR3 Gene Alterations. J.Med.Chem., 67, 2024
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