3OHI
 
 | | Structure of Giardia fructose-1,6-biphosphate aldolase in complex with 3-hydroxy-2-pyridone | | Descriptor: | ({3-hydroxy-2-oxo-4-[2-(phosphonooxy)ethyl]pyridin-1(2H)-yl}methyl)phosphonic acid, Putative fructose-1,6-bisphosphate aldolase, ZINC ION | | Authors: | Herzberg, O, Galkin, A. | | Deposit date: | 2010-08-17 | | Release date: | 2011-01-19 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Rational design, synthesis and evaluation of first generation inhibitors of the Giardia lamblia fructose-1,6-biphosphate aldolase.
J.Inorg.Biochem., 105, 2010
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6JDY
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3PDH
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6JE2
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3Q2M
 | | Crystal Structure of Spectinomycin Phosphotransferase, APH(9)-Ia, Protein Kinase Inhibitor CKI-7 Complex | | Descriptor: | N-(2-AMINOETHYL)-5-CHLOROISOQUINOLINE-8-SULFONAMIDE, NICKEL (II) ION, Spectinomycin phosphotransferase | | Authors: | Berghuis, A.M, Fong, D.H, Xiong, B, Hwang, J. | | Deposit date: | 2010-12-20 | | Release date: | 2011-05-18 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (2.9 Å) | | Cite: | Crystal structures of two aminoglycoside kinases bound with a eukaryotic protein kinase inhibitor.
Plos One, 6, 2011
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2FIM
 | | Structure of the C-terminal domain of Human Tubby-like protein 1 | | Descriptor: | 3-(N,N-DIMETHYLOCTYLAMMONIO)PROPANESULFONATE, SULFATE ION, Tubby related protein 1 | | Authors: | Hallberg, B.M, Ogg, D, Arrowsmith, C, Berglund, H, Edwards, A, Ehn, M, Flodin, S, Graslund, S, Hammarstrom, M, Hogbom, M, Holmberg-Schiavone, L, Kotenyova, T, Kursula, P, Nilsson-Ehle, P, Nordlund, P, Nyman, T, Sagemark, J, Stenmark, P, Sundstrom, M, Thorsell, A.G, Van Den Berg, S, Weigelt, J, Persson, C. | | Deposit date: | 2005-12-29 | | Release date: | 2006-02-07 | | Last modified: | 2024-03-13 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Structure of the C-terminal domain of Human Tubby-like protein 1
To be published
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2GK9
 | | Human Phosphatidylinositol-4-phosphate 5-kinase, type II, gamma | | Descriptor: | phosphatidylinositol-4-phosphate 5-kinase, type II, gamma | | Authors: | Uppenberg, J, Hogbom, M, Ogg, D, Arrowsmith, C, Berglund, H, Collins, R, Ehn, M, Flodin, S, Flores, A, Graslund, S, Holmberg-Schiavone, L, Edwards, A, Hammarstrom, M, Kotenyova, T, Nilsson-Ehle, P, Nordlund, P, Nyman, T, Persson, C, Sagemark, J, Stenmark, P, Sundstrom, M, Thorsell, A.G, Van Den Berg, S, Weigelt, J, Hallberg, B.M, Structural Genomics Consortium (SGC) | | Deposit date: | 2006-03-31 | | Release date: | 2006-05-02 | | Last modified: | 2024-02-14 | | Method: | X-RAY DIFFRACTION (2.8 Å) | | Cite: | Structure of Human Phosphatidylinositol-4-phosphate 5-kinase, type II, gamma
To be Published
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5P9F
 | | BTK IN COMPLEX WITH GDC-0834 | | Descriptor: | 1,2-ETHANEDIOL, GLYCEROL, N-{3-[6-({4-[(2R)-1,4-dimethyl-3-oxopiperazin-2-yl]phenyl}amino)-4-methyl-5-oxo-4,5-dihydropyrazin-2-yl]-2-methylphenyl }-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide, ... | | Authors: | Gardberg, A.S. | | Deposit date: | 2016-09-20 | | Release date: | 2017-05-24 | | Last modified: | 2024-05-22 | | Method: | X-RAY DIFFRACTION (1.71 Å) | | Cite: | Ability of Bruton's Tyrosine Kinase Inhibitors to Sequester Y551 and Prevent Phosphorylation Determines Potency for Inhibition of Fc Receptor but not B-Cell Receptor Signaling.
Mol. Pharmacol., 91, 2017
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5P9G
 | | Structure of BTK with RN486 | | Descriptor: | 6-cyclopropyl-8-fluoranyl-2-[2-(hydroxymethyl)-3-[1-methyl-5-[[5-(4-methylpiperazin-1-yl)pyridin-2-yl]amino]-6-oxidanylidene-pyridin-3-yl]phenyl]isoquinolin-1-one, Tyrosine-protein kinase BTK | | Authors: | Gardberg, A.S. | | Deposit date: | 2016-09-20 | | Release date: | 2017-05-24 | | Last modified: | 2024-05-22 | | Method: | X-RAY DIFFRACTION (1.75 Å) | | Cite: | Ability of Bruton's Tyrosine Kinase Inhibitors to Sequester Y551 and Prevent Phosphorylation Determines Potency for Inhibition of Fc Receptor but not B-Cell Receptor Signaling.
Mol. Pharmacol., 91, 2017
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7QO8
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7RQ6
 | | Cryo-EM structure of SARS-CoV-2 spike in complex with non-neutralizing NTD-directed CV3-13 Fab isolated from convalescent individual | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CV3-13 Fab heavy chain, ... | | Authors: | Chen, Y, Pozharski, E, Tolbert, W.D, Pazgier, M. | | Deposit date: | 2021-08-05 | | Release date: | 2022-04-20 | | Last modified: | 2023-08-09 | | Method: | ELECTRON MICROSCOPY (4.18 Å) | | Cite: | A Fc-enhanced NTD-binding non-neutralizing antibody delays virus spread and synergizes with a nAb to protect mice from lethal SARS-CoV-2 infection.
Cell Rep, 38, 2022
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5P9L
 | | BTK1 IN COMPLEX WITH CC 292 | | Descriptor: | Tyrosine-protein kinase BTK, ~{N}-[3-[[5-fluoranyl-2-[[4-(2-methoxyethoxy)phenyl]amino]pyrimidin-4-yl]amino]phenyl]propanamide | | Authors: | Gardberg, A.S. | | Deposit date: | 2016-09-20 | | Release date: | 2017-05-24 | | Last modified: | 2021-11-17 | | Method: | X-RAY DIFFRACTION (1.25 Å) | | Cite: | Ability of Bruton's Tyrosine Kinase Inhibitors to Sequester Y551 and Prevent Phosphorylation Determines Potency for Inhibition of Fc Receptor but not B-Cell Receptor Signaling.
Mol. Pharmacol., 91, 2017
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5P9H
 | | BTK1 COCRYSTALLIZED WITH RN983 | | Descriptor: | 6-~{tert}-butyl-8-fluoranyl-2-[3-(hydroxymethyl)-4-[1-methyl-5-[[5-(1-methylpiperidin-4-yl)pyridin-2-yl]amino]-6-oxidanylidene-pyridazin-3-yl]pyridin-2-yl]phthalazin-1-one, Tyrosine-protein kinase BTK | | Authors: | Gardberg, A.S. | | Deposit date: | 2016-09-20 | | Release date: | 2017-05-24 | | Last modified: | 2024-05-22 | | Method: | X-RAY DIFFRACTION (1.95 Å) | | Cite: | Ability of Bruton's Tyrosine Kinase Inhibitors to Sequester Y551 and Prevent Phosphorylation Determines Potency for Inhibition of Fc Receptor but not B-Cell Receptor Signaling.
Mol. Pharmacol., 91, 2017
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5P9J
 | | BTK1 COCRYSTALLIZED WITH IBRUTINIB | | Descriptor: | 1-[(3~{R})-3-[4-azanyl-3-(4-phenoxyphenyl)pyrazolo[3,4-d]pyrimidin-1-yl]piperidin-1-yl]propan-1-one, Tyrosine-protein kinase BTK | | Authors: | Gardberg, A.S. | | Deposit date: | 2016-09-20 | | Release date: | 2017-05-24 | | Last modified: | 2021-11-17 | | Method: | X-RAY DIFFRACTION (1.08 Å) | | Cite: | Ability of Bruton's Tyrosine Kinase Inhibitors to Sequester Y551 and Prevent Phosphorylation Determines Potency for Inhibition of Fc Receptor but not B-Cell Receptor Signaling.
Mol. Pharmacol., 91, 2017
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5P9M
 | | BTK1 BINDS COVALENTLY TO HY-15771 ONO-4059 | | Descriptor: | 6-azanyl-9-[(3~{R})-1-[(~{E})-but-2-enoyl]pyrrolidin-3-yl]-7-(4-phenoxyphenyl)purin-8-one, DIMETHYL SULFOXIDE, Tyrosine-protein kinase BTK | | Authors: | Gardberg, A.S. | | Deposit date: | 2016-09-20 | | Release date: | 2017-05-24 | | Last modified: | 2024-10-09 | | Method: | X-RAY DIFFRACTION (1.41 Å) | | Cite: | Ability of Bruton's Tyrosine Kinase Inhibitors to Sequester Y551 and Prevent Phosphorylation Determines Potency for Inhibition of Fc Receptor but not B-Cell Receptor Signaling.
Mol. Pharmacol., 91, 2017
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5P9I
 | | BTK1 SOAKED WITH IBRUTINIB-Rev | | Descriptor: | 1-{(3R)-3-[4-amino-3-(4-phenoxyphenyl)-1H-pyrazolo[3,4-d]pyrimidin-1-yl]piperidin-1-yl}prop-2-en-1-one, DIMETHYL SULFOXIDE, Tyrosine-protein kinase BTK | | Authors: | Gardberg, A.S. | | Deposit date: | 2016-09-20 | | Release date: | 2017-05-24 | | Last modified: | 2024-05-22 | | Method: | X-RAY DIFFRACTION (1.11 Å) | | Cite: | Ability of Bruton's Tyrosine Kinase Inhibitors to Sequester Y551 and Prevent Phosphorylation Determines Potency for Inhibition of Fc Receptor but not B-Cell Receptor Signaling.
Mol. Pharmacol., 91, 2017
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2FVV
 | | Human Diphosphoinositol polyphosphate phosphohydrolase 1 | | Descriptor: | CHLORIDE ION, Diphosphoinositol polyphosphate phosphohydrolase 1, INOSITOL HEXAKISPHOSPHATE, ... | | Authors: | Hallberg, B.M, Kursula, P, Ogg, D, Arrowsmith, C, Berglund, H, Edwards, A, Ehn, M, Flodin, S, Graslund, S, Hammarstrom, M, Hogbom, M, Holmberg-Schiavone, L, Kotenyova, T, Nilsson-Ehle, P, Nordlund, P, Nyman, T, Sagemark, J, Stenmark, P, Sundstrom, M, Thorsell, A.G, van den Berg, S, Weigelt, J, Persson, C, Structural Genomics Consortium (SGC) | | Deposit date: | 2006-01-31 | | Release date: | 2006-03-11 | | Last modified: | 2024-03-13 | | Method: | X-RAY DIFFRACTION (1.25 Å) | | Cite: | Crystal structure of human diphosphoinositol phosphatase 1
Proteins, 77, 2009
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2IVJ
 | | Isopenicillin N Synthase From Aspergillus Nidulans (Anaerobic Ac- cyclopropylglycine Fe Complex) | | Descriptor: | D-(L-A-AMINOADIPOYL)-L-CYSTEINYL-D-CYCLOPROPYLGLYCINE, FE (II) ION, ISOPENICILLIN N SYNTHETASE, ... | | Authors: | Howard-Jones, A.R, Elkins, J.M, Clifton, I.J, Roach, P.L, Adlington, R.M, Baldwin, J.E, Rutledge, P.J. | | Deposit date: | 2006-06-13 | | Release date: | 2007-04-10 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (1.46 Å) | | Cite: | Interactions of Isopenicillin N Synthase with Cyclopropyl-Containing Substrate Analogues Reveal New Mechanistic Insight.
Biochemistry, 46, 2007
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2IVI
 | | Isopenicillin N Synthase From Aspergillus Nidulans (Anaerobic Ac- methyl-cyclopropylglycine Fe Complex) | | Descriptor: | D-(L-A-AMINOADIPOYL)-L-CYSTEINYL-B-METHYL-D-CYCLOPROPYLGLYCINE, FE (II) ION, ISOPENICILLIN N SYNTHETASE, ... | | Authors: | Elkins, J.M, Howard-Jones, A.R, Clifton, I.J, Roach, P.L, Adlington, R.M, Baldwin, J.E, Rutledge, P.J. | | Deposit date: | 2006-06-13 | | Release date: | 2007-04-10 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (1.3 Å) | | Cite: | Interactions of Isopenicillin N Synthase with Cyclopropyl-Containing Substrate Analogues Reveal New Mechanistic Insight.
Biochemistry, 46, 2007
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2NMP
 | | Crystal structure of human Cystathionine gamma lyase | | Descriptor: | Cystathionine gamma-lyase, PYRIDOXAL-5'-PHOSPHATE | | Authors: | Karlberg, T, Uppenberg, J, Arrowsmith, C, Berglund, H, Busam, R.D, Collins, R, Edwards, A, Ericsson, U.B, Flodin, S, Flores, A, Graslund, S, Hallberg, B.M, Hammarstrom, M, Hogbom, M, Johansson, I, Kotenyova, T, Magnusdottir, A, Moche, M, Nilsson, M.E, Nordlund, P, Nyman, T, Ogg, D, Persson, C, Sagemark, J, Stenmark, P, Sundstrom, M, Thorsell, A.G, van-den-Berg, S, Wallden, K, Weigelt, J, Holmberg-Schiavone, L, Structural Genomics Consortium (SGC) | | Deposit date: | 2006-10-23 | | Release date: | 2006-11-07 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (2.6 Å) | | Cite: | Structural basis for the inhibition mechanism of human cystathionine gamma-lyase, an enzyme responsible for the production of H(2)S
J.Biol.Chem., 284, 2009
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7OWL
 | | Odinarchaeota Adenylate kinase (OdinAK) in complex with CTP | | Descriptor: | Adenylate kinase, CYTIDINE-5'-TRIPHOSPHATE | | Authors: | Aberg-Zingmark, E, Grundstrom, C, Verma, A, Wolf-Watz, M, Sauer, U.H, Sauer-Eriksson, A.E. | | Deposit date: | 2021-06-18 | | Release date: | 2022-09-28 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (2.9 Å) | | Cite: | Insights into the evolution of enzymatic specificity and catalysis: From Asgard archaea to human adenylate kinases.
Sci Adv, 8, 2022
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7OWH
 | | Odinarchaeota Adenylate kinase (OdinAK) native structure | | Descriptor: | Adenylate kinase, CHLORIDE ION | | Authors: | Aberg-Zingmark, E, Grundstrom, C, Verma, A, Wolf-Watz, M, Sauer, U.H, Sauer-Eriksson, A.E. | | Deposit date: | 2021-06-18 | | Release date: | 2022-09-28 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (1.85 Å) | | Cite: | Insights into the evolution of enzymatic specificity and catalysis: From Asgard archaea to human adenylate kinases.
Sci Adv, 8, 2022
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7OWK
 | | Odinarchaeota Adenylate kinase (OdinAK) in complex with dTTP | | Descriptor: | Adenylate kinase, THYMIDINE-5'-TRIPHOSPHATE | | Authors: | Aberg-Zingmark, E, Grundstrom, C, Verma, A, Wolf-Watz, M, Sauer, U.H, Sauer-Eriksson, A.E. | | Deposit date: | 2021-06-18 | | Release date: | 2022-09-28 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (3.1 Å) | | Cite: | Insights into the evolution of enzymatic specificity and catalysis: From Asgard archaea to human adenylate kinases.
Sci Adv, 8, 2022
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7OWJ
 | | Odinarchaeota Adenylate kinase (OdinAK) in complex with GTP | | Descriptor: | Adenylate kinase, GUANOSINE-5'-TRIPHOSPHATE | | Authors: | Aberg-Zingmark, E, Grundstrom, C, Verma, A, Wolf-Watz, M, Sauer, U.H, Sauer-Eriksson, A.E. | | Deposit date: | 2021-06-18 | | Release date: | 2022-09-28 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Insights into the evolution of enzymatic specificity and catalysis: From Asgard archaea to human adenylate kinases.
Sci Adv, 8, 2022
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6M2B
 | | Crystal structure of human dihydroorotate dehydrogenase (DHODH) with S416 | | Descriptor: | 2-[(E)-[[4-(2-chlorophenyl)-1,3-thiazol-2-yl]-methyl-hydrazinylidene]methyl]benzoic acid, Dihydroorotate dehydrogenase (quinone), mitochondrial, ... | | Authors: | Zhu, L, Li, H. | | Deposit date: | 2020-02-27 | | Release date: | 2021-03-03 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (1.76 Å) | | Cite: | Novel and potent inhibitors targeting DHODH are broad-spectrum antivirals against RNA viruses including newly-emerged coronavirus SARS-CoV-2.
Protein Cell, 11, 2020
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