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5AMD
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BU of 5amd by Molmil
Three dimensional structure of human carbonic anhydrase II in complex with 2-((2-Phenylethyl)sulfamoyl)-4-sulfamoylbenzoic acid
Descriptor: 2-[(2-PHENYLETHYL)SULFAMOYL]-4-SULFAMOYLBENZOIC ACID, CARBONIC ANHYDRASE 2, ZINC ION
Authors:Leitans, J, Tars, K, Zalubovskis, R.
Deposit date:2015-03-10
Release date:2015-04-08
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:X-Ray Crystallography-Promoted Drug Design of Carbonic Anhydrase Inhibitors.
Chem.Commun.(Camb.), 51, 2015
6TL6
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BU of 6tl6 by Molmil
Three dimensional structure of human carbonic anhydrase IX in complex with sulfonamide
Descriptor: Carbonic anhydrase 9, GLYCEROL, ZINC ION, ...
Authors:Leitans, J, Tars, K.
Deposit date:2019-12-01
Release date:2020-12-16
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2.15 Å)
Cite:Isoform-Selective Enzyme Inhibitors by Exploring Pocket Size According to the Lock-and-Key Principle.
Biophys.J., 119, 2020
6TL5
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BU of 6tl5 by Molmil
Three dimensional structure of human carbonic anhydrase IX in complex with sulfonamide
Descriptor: 3,5-diphenylbenzenesulfonamide, Carbonic anhydrase 9, ZINC ION
Authors:Leitans, J, Tars, K.
Deposit date:2019-12-01
Release date:2020-12-16
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2.21 Å)
Cite:Isoform-Selective Enzyme Inhibitors by Exploring Pocket Size According to the Lock-and-Key Principle.
Biophys.J., 119, 2020
6QUT
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BU of 6qut by Molmil
Three dimensional structure of human carbonic anhydrase IX in complex with benzenesulfonamide
Descriptor: 4-chloranyl-~{N}-(3-oxidanylpropyl)-2-phenylsulfanyl-5-sulfamoyl-benzamide, Carbonic anhydrase 9, ZINC ION
Authors:Leitans, J, Tars, K.
Deposit date:2019-02-28
Release date:2020-03-25
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.96 Å)
Cite:Halogenated and di-substituted benzenesulfonamides as selective inhibitors of carbonic anhydrase isoforms.
Eur.J.Med.Chem., 185, 2020
6QN2
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BU of 6qn2 by Molmil
Three dimensional structure of human carbonic anhydrase IX in complex with benzenesulfonamide
Descriptor: Carbonic anhydrase 9, ZINC ION, methyl 4-[(4-chloranyl-2-cyclohexylsulfanyl-5-sulfamoyl-phenyl)carbonylamino]butanoate
Authors:Leitans, J, Tars, K.
Deposit date:2019-02-08
Release date:2020-02-26
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Halogenated and di-substituted benzenesulfonamides as selective inhibitors of carbonic anhydrase isoforms.
Eur.J.Med.Chem., 185, 2020
6QN6
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BU of 6qn6 by Molmil
Three dimensional structure of human carbonic anhydrase IX in complex with benzenesulfonamide
Descriptor: Carbonic anhydrase 9, ZINC ION, ~{N}-butyl-4-chloranyl-2-(2-phenylethylsulfanyl)-5-sulfamoyl-benzamide
Authors:Leitans, J, Tars, K.
Deposit date:2019-02-09
Release date:2020-02-26
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2.25 Å)
Cite:Halogenated and di-substituted benzenesulfonamides as selective inhibitors of carbonic anhydrase isoforms.
Eur.J.Med.Chem., 185, 2020
6QN5
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BU of 6qn5 by Molmil
Three dimensional structure of human carbonic anhydrase IX in complex with benzenesulfonamide
Descriptor: 4-chloranyl-~{N}-(3-oxidanylpropyl)-2-phenylsulfanyl-5-sulfamoyl-benzamide, Carbonic anhydrase 9, ZINC ION
Authors:Leitans, J, Tars, K.
Deposit date:2019-02-09
Release date:2020-02-26
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.96 Å)
Cite:Halogenated and di-substituted benzenesulfonamides as selective inhibitors of carbonic anhydrase isoforms.
Eur.J.Med.Chem., 185, 2020
6FE0
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BU of 6fe0 by Molmil
Three dimensional structure of human carbonic anhydrase IX in complex with benzenesulfonamide.
Descriptor: 2-(cyclooctylamino)-3,5,6-trifluoro-4-[(2-hydroxyethyl)sulfanyl]benzenesulfonamide, Carbonic anhydrase 9, ZINC ION
Authors:Leitans, J, Tars, K.
Deposit date:2017-12-28
Release date:2018-07-04
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.91 Å)
Cite:Novel fluorinated carbonic anhydrase IX inhibitors reduce hypoxia-induced acidification and clonogenic survival of cancer cells.
Oncotarget, 9, 2018
6FE2
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BU of 6fe2 by Molmil
Three dimensional structure of human carbonic anhydrase IX
Descriptor: Carbonic anhydrase 9, ZINC ION
Authors:Leitans, J, Tars, K.
Deposit date:2017-12-28
Release date:2018-07-04
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.87 Å)
Cite:Novel fluorinated carbonic anhydrase IX inhibitors reduce hypoxia-induced acidification and clonogenic survival of cancer cells.
Oncotarget, 9, 2018
6FE1
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BU of 6fe1 by Molmil
Three dimensional structure of human carbonic anhydrase IX in complex with benzenesulfonamide.
Descriptor: 3-(cyclooctylamino)-2,5,6-trifluoro-4-[(2-hydroxyethyl)sulfonyl]benzenesulfonamide, Carbonic anhydrase 9, ZINC ION
Authors:Leitans, J, Tars, K.
Deposit date:2017-12-28
Release date:2018-07-04
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Novel fluorinated carbonic anhydrase IX inhibitors reduce hypoxia-induced acidification and clonogenic survival of cancer cells.
Oncotarget, 9, 2018
6G98
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BU of 6g98 by Molmil
Three dimensional structure of human carbonic anhydrase IX in complex with sulfonamide
Descriptor: 4-[2-[3-(cyclododecylamino)-2,5,6-tris(fluoranyl)-4-sulfamoyl-phenyl]sulfanylethyl]benzoic acid, Carbonic anhydrase 9, ZINC ION
Authors:Leitans, J, Tars, K.
Deposit date:2018-04-10
Release date:2018-07-04
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (2.47 Å)
Cite:Novel fluorinated carbonic anhydrase IX inhibitors reduce hypoxia-induced acidification and clonogenic survival of cancer cells.
Oncotarget, 9, 2018
6G9U
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BU of 6g9u by Molmil
Three dimensional structure of human carbonic anhydrase IX in complex with sulfonamide
Descriptor: 4-[2-[3-(cyclooctylamino)-2,5,6-tris(fluoranyl)-4-sulfamoyl-phenyl]sulfanylethyl]benzoic acid, Carbonic anhydrase 9, ZINC ION
Authors:Leitans, J, Tars, K.
Deposit date:2018-04-11
Release date:2018-07-04
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:Novel fluorinated carbonic anhydrase IX inhibitors reduce hypoxia-induced acidification and clonogenic survival of cancer cells.
Oncotarget, 9, 2018
4BF6
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BU of 4bf6 by Molmil
Three dimensional structure of human carbonic anhydrase II in complex with 5-(1-(3-Cyanophenyl)-1H-1,2,3-triazol-4-yl)thiophene-2- sulfonamide
Descriptor: 5-[1-(3-cyanophenyl)-1,2,3-triazol-4-yl]thiophene-2-sulfonamide, CARBONIC ANHYDRASE 2, GLYCEROL, ...
Authors:Tars, K, Leitans, J, Zalubovskis, R.
Deposit date:2013-03-15
Release date:2014-01-22
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (1.82 Å)
Cite:5-Substituted-(1,2,3-Triazol-4-Yl)Thiophene-2-Sulfonamides Strongly Inhibit Human Carbonic Anhydrases I, II, Ix and Xii: Solution and X-Ray Crystallographic Studies.
Bioorg.Med.Chem., 21, 2013
4BF1
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BU of 4bf1 by Molmil
Three dimensional structure of human carbonic anhydrase II in complex with 5-(1-naphthalen-1-yl-1,2,3-triazol-4-yl)thiophene-2-sulfonamide
Descriptor: 5-(1-naphthalen-1-yl-1,2,3-triazol-4-yl)thiophene-2-sulfonamide, CARBONIC ANHYDRASE 2, SODIUM ION, ...
Authors:Tars, K, Leitans, J, Zalubovskis, R.
Deposit date:2013-03-13
Release date:2014-01-22
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (1.35 Å)
Cite:5-Substituted-(1,2,3-Triazol-4-Yl)Thiophene-2-Sulfonamides Strongly Inhibit Human Carbonic Anhydrases I, II, Ix and Xii: Solution and X-Ray Crystallographic Studies.
Bioorg.Med.Chem., 21, 2013
5MJN
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BU of 5mjn by Molmil
Three dimensional structure of human carbonic anhydrase II in complex with 5-[(4Chlorobenzyl)sulfanyl]thiophene-2-sulfonamide
Descriptor: 5-[(4-chlorophenyl)methylsulfanyl]thiophene-2-sulfonamide, Carbonic anhydrase 2, ZINC ION
Authors:Leitans, J, Tars, K.
Deposit date:2016-12-01
Release date:2017-12-06
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.17 Å)
Cite:5-Substituted-benzylsulfanyl-thiophene-2-sulfonamides with effective carbonic anhydrase inhibitory activity: Solution and crystallographic investigations.
Bioorg. Med. Chem., 25, 2017
4V6K
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BU of 4v6k by Molmil
Structural insights into cognate vs. near-cognate discrimination during decoding.
Descriptor: 16S ribosomal RNA, 30S ribosomal protein S10, 30S ribosomal protein S11, ...
Authors:Agirrezabala, X, Schreiner, E, Trabuco, L.G, Lei, J, Ortiz-Meoz, R.F, Schulten, K, Green, R, Frank, J.
Deposit date:2011-01-07
Release date:2014-07-09
Last modified:2024-02-28
Method:ELECTRON MICROSCOPY (8.25 Å)
Cite:Structural insights into cognate versus near-cognate discrimination during decoding.
Embo J., 30, 2011
4V6L
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BU of 4v6l by Molmil
Structural insights into cognate vs. near-cognate discrimination during decoding.
Descriptor: 16S ribosomal RNA, 30S ribosomal protein S10, 30S ribosomal protein S11, ...
Authors:Agirrezabala, X, Schreiner, E, Trabuco, L.G, Lei, J, Ortiz-Meoz, R.F, Schulten, K, Green, R, Frank, J.
Deposit date:2011-01-07
Release date:2014-07-09
Last modified:2024-02-28
Method:ELECTRON MICROSCOPY (13.2 Å)
Cite:Structural insights into cognate versus near-cognate discrimination during decoding.
Embo J., 30, 2011
5XJC
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BU of 5xjc by Molmil
Cryo-EM structure of the human spliceosome just prior to exon ligation at 3.6 angstrom
Descriptor: 116 kDa U5 small nuclear ribonucleoprotein component, ADENOSINE-5'-DIPHOSPHATE, ADENOSINE-5'-TRIPHOSPHATE, ...
Authors:Zhang, X, Yan, C, Hang, J, Finci, I.L, Lei, J, Shi, Y.
Deposit date:2017-04-30
Release date:2017-07-05
Last modified:2020-10-14
Method:ELECTRON MICROSCOPY (3.6 Å)
Cite:An Atomic Structure of the Human Spliceosome
Cell, 169, 2017
6IDF
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BU of 6idf by Molmil
Cryo-EM structure of gamma secretase in complex with a Notch fragment
Descriptor: 1,2-DIACYL-SN-GLYCERO-3-PHOSPHOCHOLINE, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Yang, G, Zhou, R, Zhou, Q, Guo, X, Yan, C, Ke, M, Lei, J, Shi, Y.
Deposit date:2018-09-09
Release date:2018-12-26
Last modified:2020-07-29
Method:ELECTRON MICROSCOPY (2.7 Å)
Cite:Structural basis of Notch recognition by human gamma-secretase
Nature, 565, 2019
4WTR
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BU of 4wtr by Molmil
Active-site mutant of Rhizomucor miehei beta-1,3-glucanosyltransferase in complex with laminaribiose
Descriptor: beta-1,3-glucanosyltransferase, beta-D-glucopyranose-(1-3)-beta-D-glucopyranose
Authors:Qin, Z, Yan, Q, Lei, J, Yang, S, Jiang, Z.
Deposit date:2014-10-30
Release date:2015-08-12
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (2.27 Å)
Cite:The first crystal structure of a glycoside hydrolase family 17 beta-1,3-glucanosyltransferase displays a unique catalytic cleft.
Acta Crystallogr.,Sect.D, 71, 2015
4WTP
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BU of 4wtp by Molmil
Crystal structure of glycoside hydrolase family 17 beta-1,3-glucanosyltransferase from Rhizomucor miehei
Descriptor: 1,2-ETHANEDIOL, beta-1,3-glucanosyltransferase
Authors:Qin, Z, Yan, Q, Lei, J, Yang, S, Jiang, Z.
Deposit date:2014-10-30
Release date:2015-08-12
Last modified:2019-12-25
Method:X-RAY DIFFRACTION (1.3 Å)
Cite:The first crystal structure of a glycoside hydrolase family 17 beta-1,3-glucanosyltransferase displays a unique catalytic cleft.
Acta Crystallogr.,Sect.D, 71, 2015
4WTS
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BU of 4wts by Molmil
Active-site mutant of Rhizomucor miehei beta-1,3-glucanosyltransferase in complex with laminaritriose
Descriptor: beta-1,3-glucanosyltransferase, beta-D-glucopyranose-(1-3)-beta-D-glucopyranose-(1-3)-beta-D-glucopyranose
Authors:Qin, Z, Yan, Q, Lei, J, Yang, S, Jiang, Z.
Deposit date:2014-10-30
Release date:2015-08-12
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:The first crystal structure of a glycoside hydrolase family 17 beta-1,3-glucanosyltransferase displays a unique catalytic cleft.
Acta Crystallogr.,Sect.D, 71, 2015
7OXG
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BU of 7oxg by Molmil
ttSlyD FKBP domain with M8A pseudo-wild-type S2 peptide
Descriptor: 30S ribosomal protein S2, CHLORIDE ION, IMIDAZOLE, ...
Authors:Pazicky, S, Lei, J, Loew, C.
Deposit date:2021-06-22
Release date:2022-03-16
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2 Å)
Cite:Impact of distant peptide substrate residues on enzymatic activity of SlyD.
Cell.Mol.Life Sci., 79, 2022
7OXI
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BU of 7oxi by Molmil
ttSlyD with W4A pseudo-wild-type S2 peptide
Descriptor: 30S ribosomal protein S2, CHLORIDE ION, Peptidyl-prolyl cis-trans isomerase
Authors:Pazicky, S, Lei, J, Loew, C.
Deposit date:2021-06-22
Release date:2022-03-16
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Impact of distant peptide substrate residues on enzymatic activity of SlyD.
Cell.Mol.Life Sci., 79, 2022
7OXK
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BU of 7oxk by Molmil
ttSlyD with W4K pseudo-wild-type S2 peptide
Descriptor: 30S ribosomal protein S2, Peptidyl-prolyl cis-trans isomerase
Authors:Pazicky, S, Lei, J, Loew, C.
Deposit date:2021-06-22
Release date:2022-03-16
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Impact of distant peptide substrate residues on enzymatic activity of SlyD.
Cell.Mol.Life Sci., 79, 2022

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