1T6W
 
 | | RATIONAL DESIGN OF A CALCIUM-BINDING ADHESION PROTEIN NMR, 20 STRUCTURES | | Descriptor: | CALCIUM ION, hypothetical protein XP_346638 | | Authors: | Yang, W, Wilkins, A.L, Ye, Y, Liu, Z.-R, Urbauer, J.L, Kearney, A, van der Merwe, P.A, Yang, J.J. | | Deposit date: | 2004-05-07 | | Release date: | 2005-02-15 | | Last modified: | 2021-10-27 | | Method: | SOLUTION NMR | | Cite: | Design of a calcium-binding protein with desired structure in a cell adhesion molecule.
J.Am.Chem.Soc., 127, 2005
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5FBH
 | | Crystal structure of the extracellular domain of human calcium sensing receptor with bound Gd3+ | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, BICARBONATE ION, CHLORIDE ION, ... | | Authors: | Zhang, T, Zhang, C, Miller, C.L, Zou, J, Moremen, K.W, Brown, E.M, Yang, J.J, Hu, J. | | Deposit date: | 2015-12-14 | | Release date: | 2016-06-22 | | Last modified: | 2020-07-29 | | Method: | X-RAY DIFFRACTION (2.7 Å) | | Cite: | Structural basis for regulation of human calcium-sensing receptor by magnesium ions and an unexpected tryptophan derivative co-agonist.
Sci Adv, 2, 2016
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5FBK
 | | Crystal structure of the extracellular domain of human calcium sensing receptor | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, BICARBONATE ION, CHLORIDE ION, ... | | Authors: | Zhang, T, Zhang, C, Miller, C.L, Zou, J, Moremen, K.W, Brown, E.M, Yang, J.J, Hu, J. | | Deposit date: | 2015-12-14 | | Release date: | 2016-06-22 | | Last modified: | 2020-07-29 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Structural basis for regulation of human calcium-sensing receptor by magnesium ions and an unexpected tryptophan derivative co-agonist.
Sci Adv, 2, 2016
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6WTQ
 | | Human JAK2 JH1 domain in complex with PROTAC-intermediate linker handle 4 | | Descriptor: | 1,2-ETHANEDIOL, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, N-methyl-4-{[4-(1-propyl-1H-pyrazol-4-yl)-7H-pyrrolo[2,3-d]pyrimidin-2-yl]amino}benzamide, ... | | Authors: | Yu, S, Nithianantham, S, Fischer, M. | | Deposit date: | 2020-05-03 | | Release date: | 2021-05-05 | | Last modified: | 2023-11-15 | | Method: | X-RAY DIFFRACTION (1.79968476 Å) | | Cite: | Degradation of Janus kinases in CRLF2-rearranged acute lymphoblastic leukemia.
Blood, 138, 2021
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6WTN
 | | Human JAK2 JH1 domain in complex with Ruxolitinib | | Descriptor: | (3R)-3-cyclopentyl-3-[4-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-1H-pyrazol-1-yl]propanenitrile, 1,2-ETHANEDIOL, Tyrosine-protein kinase JAK2 | | Authors: | Yu, S, Nithianantham, S, Fischer, M. | | Deposit date: | 2020-05-03 | | Release date: | 2021-05-05 | | Last modified: | 2023-11-15 | | Method: | X-RAY DIFFRACTION (1.83 Å) | | Cite: | Degradation of Janus kinases in CRLF2-rearranged acute lymphoblastic leukemia.
Blood, 138, 2021
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6WTP
 | | Human JAK2 JH1 domain in complex with PROTAC-intermediate linker handle 3 | | Descriptor: | GLYCEROL, Tyrosine-protein kinase JAK2, tert-butyl 4-[(4-{1-[3-(cyanomethyl)-1-(ethylsulfonyl)azetidin-3-yl]-1H-pyrazol-4-yl}-7H-pyrrolo[2,3-d]pyrimidin-2-yl)amino]benzoate | | Authors: | Yu, S, Nithianantham, S, Fischer, M. | | Deposit date: | 2020-05-03 | | Release date: | 2021-05-05 | | Last modified: | 2023-11-15 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Degradation of Janus kinases in CRLF2-rearranged acute lymphoblastic leukemia.
Blood, 138, 2021
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6WTO
 | | Human JAK2 JH1 domain in complex with Baricitinib | | Descriptor: | 1,2-ETHANEDIOL, Baricitinib, Tyrosine-protein kinase JAK2 | | Authors: | Yu, S, Nithianantham, S, Fischer, M. | | Deposit date: | 2020-05-03 | | Release date: | 2021-05-05 | | Last modified: | 2023-11-15 | | Method: | X-RAY DIFFRACTION (1.74 Å) | | Cite: | Degradation of Janus kinases in CRLF2-rearranged acute lymphoblastic leukemia.
Blood, 138, 2021
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7B7V
 | | Structure of NUDT15 in complex with Acyclovir monophosphate | | Descriptor: | 2-[(2-amino-6-oxo-1,6-dihydro-9H-purin-9-yl)methoxy]ethyl dihydrogen phosphate, CHLORIDE ION, MAGNESIUM ION, ... | | Authors: | Rehling, D, Stenmark, P. | | Deposit date: | 2020-12-11 | | Release date: | 2021-05-19 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | NUDT15 polymorphism influences the metabolism and therapeutic effects of acyclovir and ganciclovir.
Nat Commun, 12, 2021
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3Q96
 | | B-Raf kinase domain in complex with a tetrahydronaphthalene inhibitor | | Descriptor: | (2S)-N-[3-(2-aminopropan-2-yl)-5-(trifluoromethyl)phenyl]-7-[(7-oxo-5,6,7,8-tetrahydro-1,8-naphthyridin-4-yl)oxy]-1,2,3,4-tetrahydronaphthalene-2-carboxamide, Serine/threonine-protein kinase B-raf | | Authors: | Sintchak, M.D, Aertgeerts, K, Yano, J. | | Deposit date: | 2011-01-07 | | Release date: | 2011-03-23 | | Last modified: | 2024-02-21 | | Method: | X-RAY DIFFRACTION (3.1 Å) | | Cite: | Design and optimization of potent and orally bioavailable tetrahydronaphthalene raf inhibitors.
J.Med.Chem., 54, 2011
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4L1I
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4L12
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4L13
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5OPL
 | | Crystal structure of K25E cN-II mutant | | Descriptor: | Cytosolic purine 5'-nucleotidase, GLYCEROL, MAGNESIUM ION | | Authors: | Kugler, M, Hnizda, A, Pachl, P, Rezacova, P. | | Deposit date: | 2017-08-10 | | Release date: | 2018-06-13 | | Last modified: | 2018-06-20 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Relapsed acute lymphoblastic leukemia-specific mutations in NT5C2 cluster into hotspots driving intersubunit stimulation.
Leukemia, 32, 2018
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5OPM
 | | Crystal structure of D52N/R238W cN-II mutant bound to dATP and free phosphate | | Descriptor: | 2'-DEOXYADENOSINE 5'-TRIPHOSPHATE, Cytosolic purine 5'-nucleotidase, GLYCEROL, ... | | Authors: | Hnizda, A, Pachl, P, Rezacova, P. | | Deposit date: | 2017-08-10 | | Release date: | 2018-06-13 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (1.68 Å) | | Cite: | Relapsed acute lymphoblastic leukemia-specific mutations in NT5C2 cluster into hotspots driving intersubunit stimulation.
Leukemia, 32, 2018
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5OPK
 | | Crystal structure of D52N/R367Q cN-II mutant bound to dATP and free phosphate | | Descriptor: | 2'-DEOXYADENOSINE 5'-TRIPHOSPHATE, Cytosolic purine 5'-nucleotidase, GLYCEROL, ... | | Authors: | Hnizda, A, Pachl, P, Rezacova, P. | | Deposit date: | 2017-08-10 | | Release date: | 2018-06-13 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (1.74 Å) | | Cite: | Relapsed acute lymphoblastic leukemia-specific mutations in NT5C2 cluster into hotspots driving intersubunit stimulation.
Leukemia, 32, 2018
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5OPP
 | | Crystal structure of S408R cN-II mutant | | Descriptor: | BROMIDE ION, Cytosolic purine 5'-nucleotidase, GLYCEROL, ... | | Authors: | Hnizda, A, Pachl, P, Rezacova, P. | | Deposit date: | 2017-08-10 | | Release date: | 2018-06-13 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Relapsed acute lymphoblastic leukemia-specific mutations in NT5C2 cluster into hotspots driving intersubunit stimulation.
Leukemia, 32, 2018
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5OPN
 | | Crystal structure of R39Q cN-II mutant | | Descriptor: | Cytosolic purine 5'-nucleotidase, GLYCEROL | | Authors: | Hnizda, A, Pachl, P, Rezacova, P. | | Deposit date: | 2017-08-10 | | Release date: | 2018-06-13 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (1.77 Å) | | Cite: | Relapsed acute lymphoblastic leukemia-specific mutations in NT5C2 cluster into hotspots driving intersubunit stimulation.
Leukemia, 32, 2018
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5OPO
 | | Crystal structure of R238G cN-II mutant | | Descriptor: | Cytosolic purine 5'-nucleotidase, GLYCEROL, MAGNESIUM ION | | Authors: | Hnizda, A, Pachl, P, Rezacova, P. | | Deposit date: | 2017-08-10 | | Release date: | 2018-06-13 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Relapsed acute lymphoblastic leukemia-specific mutations in NT5C2 cluster into hotspots driving intersubunit stimulation.
Leukemia, 32, 2018
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7B67
 | | Structure of NUDT15 V18_V19insGV Mutant in complex with TH7755 | | Descriptor: | (R)-6-((2-methyl-4-(1-methyl-1H-indole-5-carbonyl)piperazin-1-yl)sulfonyl)benzo[d]oxazol-2(3H)-one, MAGNESIUM ION, Nucleotide triphosphate diphosphatase NUDT15, ... | | Authors: | Rehling, D, Stenmark, P. | | Deposit date: | 2020-12-07 | | Release date: | 2021-03-24 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (1.45 Å) | | Cite: | Crystal structures of NUDT15 variants enabled by a potent inhibitor reveal the structural basis for thiopurine sensitivity.
J.Biol.Chem., 296, 2021
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7B65
 | | Structure of NUDT15 R139C Mutant in complex with TH7755 | | Descriptor: | (R)-6-((2-methyl-4-(1-methyl-1H-indole-5-carbonyl)piperazin-1-yl)sulfonyl)benzo[d]oxazol-2(3H)-one, Nucleotide triphosphate diphosphatase NUDT15 | | Authors: | Rehling, D, Stenmark, P. | | Deposit date: | 2020-12-07 | | Release date: | 2021-03-24 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | Crystal structures of NUDT15 variants enabled by a potent inhibitor reveal the structural basis for thiopurine sensitivity.
J.Biol.Chem., 296, 2021
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7B63
 | | Structure of NUDT15 in complex with TH7755 | | Descriptor: | (R)-6-((2-methyl-4-(1-methyl-1H-indole-5-carbonyl)piperazin-1-yl)sulfonyl)benzo[d]oxazol-2(3H)-one, MAGNESIUM ION, Probable 8-oxo-dGTP diphosphatase NUDT15 | | Authors: | Rehling, D, Stenmark, P. | | Deposit date: | 2020-12-07 | | Release date: | 2021-03-24 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | Crystal structures of NUDT15 variants enabled by a potent inhibitor reveal the structural basis for thiopurine sensitivity.
J.Biol.Chem., 296, 2021
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7B66
 | | Structure of NUDT15 R139H Mutant in complex with TH7755 | | Descriptor: | (R)-6-((2-methyl-4-(1-methyl-1H-indole-5-carbonyl)piperazin-1-yl)sulfonyl)benzo[d]oxazol-2(3H)-one, Nucleotide triphosphate diphosphatase NUDT15 | | Authors: | Rehling, D, Stenmark, P. | | Deposit date: | 2020-12-07 | | Release date: | 2021-03-24 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | Crystal structures of NUDT15 variants enabled by a potent inhibitor reveal the structural basis for thiopurine sensitivity.
J.Biol.Chem., 296, 2021
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7B64
 | | Structure of NUDT15 V18I Mutant in complex with TH7755 | | Descriptor: | (R)-6-((2-methyl-4-(1-methyl-1H-indole-5-carbonyl)piperazin-1-yl)sulfonyl)benzo[d]oxazol-2(3H)-one, Nucleotide triphosphate diphosphatase NUDT15 | | Authors: | Rehling, D, Stenmark, P. | | Deposit date: | 2020-12-07 | | Release date: | 2021-03-24 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (1.5 Å) | | Cite: | Crystal structures of NUDT15 variants enabled by a potent inhibitor reveal the structural basis for thiopurine sensitivity.
J.Biol.Chem., 296, 2021
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7SHH
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