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1T6W
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BU of 1t6w by Molmil
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
5FBH
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BU of 5fbh by Molmil
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
5FBK
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BU of 5fbk by Molmil
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
7B7V
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BU of 7b7v by Molmil
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
6WTQ
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BU of 6wtq by Molmil
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
6WTN
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BU of 6wtn by Molmil
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
6WTP
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BU of 6wtp by Molmil
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
6WTO
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BU of 6wto by Molmil
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
7B67
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BU of 7b67 by Molmil
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
7B65
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BU of 7b65 by Molmil
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
7B63
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BU of 7b63 by Molmil
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
7B66
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BU of 7b66 by Molmil
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
7B64
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BU of 7b64 by Molmil
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
3Q96
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BU of 3q96 by Molmil
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
4L12
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BU of 4l12 by Molmil
Crystal structure of EGFP-based Calcium Sensor CatchER complexed with Gd
Descriptor: EGFP-based Calcium Sensor CatchER, GADOLINIUM ATOM
Authors:Zhang, Y, Weber, I.T.
Deposit date:2013-06-01
Release date:2013-12-11
Last modified:2023-12-06
Method:X-RAY DIFFRACTION (1.78 Å)
Cite:Structural basis for a hand-like site in the calcium sensor CatchER with fast kinetics.
Acta Crystallogr.,Sect.D, 69, 2013
4L1I
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BU of 4l1i by Molmil
Crystal structure of EGFP-based Calcium Sensor CatchER complexed with Ca
Descriptor: CALCIUM ION, EGFP-based Calcium Sensor CatchER
Authors:Zhang, Y, Weber, I.T.
Deposit date:2013-06-03
Release date:2013-12-11
Last modified:2023-12-06
Method:X-RAY DIFFRACTION (1.2 Å)
Cite:Structural basis for a hand-like site in the calcium sensor CatchER with fast kinetics.
Acta Crystallogr.,Sect.D, 69, 2013
4L13
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BU of 4l13 by Molmil
Crystal structure of Ligand Free EGFP-based Calcium Sensor CatchER
Descriptor: ACETIC ACID, EGFP-based Calcium Sensor CatchER
Authors:Zhang, Y, Weber, I.T.
Deposit date:2013-06-01
Release date:2013-12-11
Last modified:2023-12-06
Method:X-RAY DIFFRACTION (1.66 Å)
Cite:Structural basis for a hand-like site in the calcium sensor CatchER with fast kinetics.
Acta Crystallogr.,Sect.D, 69, 2013
7SHH
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BU of 7shh by Molmil
Bacterial cereblon homologue in complex with (R)-3-(4-methoxyphenyl)piperidine-2,6-dione
Descriptor: (3R)-3-(4-methoxyphenyl)piperidine-2,6-dione, Cereblon isoform 4, ZINC ION
Authors:Nithianantham, S, Fischer, M.
Deposit date:2021-10-08
Release date:2022-04-13
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Development of Potent and Selective Janus Kinase 2/3 Directing PG-PROTACs.
Acs Med.Chem.Lett., 13, 2022
5OPL
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BU of 5opl by Molmil
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
5OPM
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BU of 5opm by Molmil
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
5OPK
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BU of 5opk by Molmil
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
5OPP
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BU of 5opp by Molmil
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
5OPN
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BU of 5opn by Molmil
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
5OPO
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BU of 5opo by Molmil
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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PDB entries from 2024-03-27

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