4ZX1
 
 | | Engineered Carbonic Anhydrase IX mimic in complex with a glucosyl sulfamate inhibitor | | Descriptor: | (6R)-5-O-acetyl-2,6-anhydro-6-{[4-(sulfamoyloxy)piperidin-1-yl]sulfonyl}-L-glucitol, Carbonic anhydrase 2, DIMETHYL SULFOXIDE, ... | | Authors: | Mahon, B.P, Lomelino, C.L, Salguero, A.L, McKenna, R. | | Deposit date: | 2015-05-20 | | Release date: | 2015-10-28 | | Last modified: | 2024-03-06 | | Method: | X-RAY DIFFRACTION (1.501 Å) | | Cite: | Mapping Selective Inhibition of the Cancer-Related Carbonic Anhydrase IX using Structure-Activity Relationships of Glucosyl-Based Sulfamates
J. Med. Chem., 58, 2015
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3V5G
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5JEG
 | | Human carbonic anhydrase II (V121I) complexed with benzo[d]thiazole-2-sulfonamide | | Descriptor: | 1,3-benzothiazole-2-sulfonamide, Carbonic anhydrase 2, ZINC ION | | Authors: | Fox, J.M, Kang, K, Sastry, M, Sherman, W, Sankaran, B, Zwart, P.H, Whitesides, G.M. | | Deposit date: | 2016-04-18 | | Release date: | 2017-01-11 | | Last modified: | 2024-03-06 | | Method: | X-RAY DIFFRACTION (1.19 Å) | | Cite: | Water-Restructuring Mutations Can Reverse the Thermodynamic Signature of Ligand Binding to Human Carbonic Anhydrase.
Angew. Chem. Int. Ed. Engl., 56, 2017
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5JEP
 | | Human carbonic anhydrase II (T199S) complexed with benzo[d]thiazole-2-sulfonamide | | Descriptor: | 1,3-benzothiazole-2-sulfonamide, Carbonic anhydrase 2, ZINC ION | | Authors: | Fox, J.M, Kang, K, Sastry, M, Sherman, W, Sankaran, B, Zwart, P.H, Whitesides, G.M. | | Deposit date: | 2016-04-18 | | Release date: | 2017-01-11 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (1.19 Å) | | Cite: | Water-Restructuring Mutations Can Reverse the Thermodynamic Signature of Ligand Binding to Human Carbonic Anhydrase.
Angew. Chem. Int. Ed. Engl., 56, 2017
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3V3H
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5DBR
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4AD7
 | | Crystal structure of full-length N-glycosylated human glypican-1 | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, GLYPICAN-1 | | Authors: | Svensson, G, Awad, W, Mani, K, Logan, D.T. | | Deposit date: | 2011-12-22 | | Release date: | 2012-03-21 | | Last modified: | 2024-11-20 | | Method: | X-RAY DIFFRACTION (2.945 Å) | | Cite: | Crystal Structure of N-Glycosylated Human Glypican-1 Core Protein: Structure of Two Loops Evolutionarily Conserved in Vertebrate Glypican-1.
J.Biol.Chem., 287, 2012
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4A7V
 | | Structure of human I113T SOD1 mutant complexed with dopamine in the p21 space group | | Descriptor: | COPPER (II) ION, L-DOPAMINE, SULFATE ION, ... | | Authors: | Wright, G.S.A, Antonyuk, S.V, Kershaw, N.M, Strange, R.W, Hasnain, S.S. | | Deposit date: | 2011-11-14 | | Release date: | 2012-11-28 | | Last modified: | 2024-10-23 | | Method: | X-RAY DIFFRACTION (1 Å) | | Cite: | Ligand Binding and Aggregation of Pathogenic Sod1.
Nat.Commun., 4, 2013
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5BYI
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3DVD
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5J8Z
 | | Human carbonic anhydrase II in complex with ligand | | Descriptor: | (2R)-2-{[4-(4-chlorophenyl)-5-cyano-6-oxo-1,6-dihydropyrimidin-2-yl]sulfanyl}-N-(4-sulfamoylphenyl)propanamide, (2S)-2-{[4-(4-chlorophenyl)-5-cyano-6-oxo-1,6-dihydropyrimidin-2-yl]sulfanyl}-N-(4-sulfamoylphenyl)propanamide, Carbonic anhydrase 2, ... | | Authors: | Alterio, V, De Simone, G. | | Deposit date: | 2016-04-08 | | Release date: | 2016-06-29 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Kinetic and X-ray crystallographic investigations of substituted 2-thio-6-oxo-1,6-dihydropyrimidine-benzenesulfonamides acting as carbonic anhydrase inhibitors.
Bioorg.Med.Chem., 24, 2016
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3DV7
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5JG3
 | | Human carbonic anhydrase II (121T/N67Q) complexed with benzo[d]thiazole-2-sulfonamide | | Descriptor: | 1,3-benzothiazole-2-sulfonamide, Carbonic anhydrase 2, ZINC ION | | Authors: | Fox, J.M, Kang, K, Sastry, M, Sherman, W, Sankaran, B, Zwart, P.H, Whitesides, G.M. | | Deposit date: | 2016-04-19 | | Release date: | 2017-01-11 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (1.21 Å) | | Cite: | Water-Restructuring Mutations Can Reverse the Thermodynamic Signature of Ligand Binding to Human Carbonic Anhydrase.
Angew. Chem. Int. Ed. Engl., 56, 2017
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5JGS
 | | Human carbonic anhydrase II (F131Y/L198A) complexed with benzo[d]thiazole-2-sulfonamide | | Descriptor: | 1,3-benzothiazole-2-sulfonamide, Carbonic anhydrase 2, ZINC ION | | Authors: | Fox, J.M, Kang, K, Sastry, M, Sherman, W, Sankaran, B, Zwart, P.H, Whitesides, G.M. | | Deposit date: | 2016-04-20 | | Release date: | 2017-01-11 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (1.11 Å) | | Cite: | Water-Restructuring Mutations Can Reverse the Thermodynamic Signature of Ligand Binding to Human Carbonic Anhydrase.
Angew. Chem. Int. Ed. Engl., 56, 2017
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5J8H
 | | Structure of calmodulin in a complex with a peptide derived from a calmodulin-dependent kinase | | Descriptor: | CALCIUM ION, Calmodulin, Eukaryotic elongation factor 2 kinase | | Authors: | Alphonse, S, Lee, K, Piserchio, A, Tavares, C.D.J, Giles, D.H, Wellmann, R.M, Dalby, K.N, Ghose, R. | | Deposit date: | 2016-04-07 | | Release date: | 2016-09-07 | | Last modified: | 2024-05-15 | | Method: | SOLUTION NMR | | Cite: | Structural Basis for the Recognition of Eukaryotic Elongation Factor 2 Kinase by Calmodulin.
Structure, 24, 2016
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5IVW
 | | Human core TFIIH bound to DNA within the PIC | | Descriptor: | General transcription factor IIH subunit 2, General transcription factor IIH subunit 3, General transcription factor IIH subunit 4, ... | | Authors: | He, Y, Yan, C, Fang, J, Inouye, C, Tjian, R, Ivanov, I, Nogales, E. | | Deposit date: | 2016-03-21 | | Release date: | 2016-05-18 | | Last modified: | 2024-03-06 | | Method: | ELECTRON MICROSCOPY (10 Å) | | Cite: | Near-atomic resolution visualization of human transcription promoter opening.
Nature, 533, 2016
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7BI5
 | | Human CA II in complex with benzyl alcohol | | Descriptor: | Carbonic anhydrase 2, ZINC ION, phenylmethanol | | Authors: | Alterio, V, De Simone, G. | | Deposit date: | 2021-01-12 | | Release date: | 2021-03-17 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (1.74 Å) | | Cite: | Benzyl alcohol inhibits carbonic anhydrases by anchoring to the zinc coordinated water molecule.
Biochem.Biophys.Res.Commun., 548, 2021
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4AEN
 | | HLA-DR1 with covalently linked CLIP106-120 in reversed orientation | | Descriptor: | GLYCEROL, HLA CLASS II HISTOCOMPATIBILITY ANTIGEN GAMMA CHAIN, HLA CLASS II HISTOCOMPATIBILITY ANTIGEN, ... | | Authors: | Schlundt, A, Guenther, S, Sticht, J, Wieczorek, M, Roske, Y, Heinemann, U, Freund, C. | | Deposit date: | 2012-01-11 | | Release date: | 2012-08-01 | | Last modified: | 2024-10-16 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Peptide Linkage to the Alpha-Subunit of Mhcii Creates a Stably Inverted Antigen Presentation Complex.
J.Mol.Biol., 423, 2012
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5IY7
 | | Human holo-PIC in the open state | | Descriptor: | DNA-directed RNA polymerase II subunit RPB1, DNA-directed RNA polymerase II subunit RPB10, DNA-directed RNA polymerase II subunit RPB11-a, ... | | Authors: | He, Y, Yan, C, Fang, J, Inouye, C, Tjian, R, Ivanov, I, Nogales, E. | | Deposit date: | 2016-03-24 | | Release date: | 2016-05-18 | | Last modified: | 2024-03-06 | | Method: | ELECTRON MICROSCOPY (8.6 Å) | | Cite: | Near-atomic resolution visualization of human transcription promoter opening.
Nature, 533, 2016
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3GQF
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5JDV
 | | Human carbonic anhydrase II (F131W) complexed with benzo[d]thiazole-2-sulfonamide | | Descriptor: | 1,3-benzothiazole-2-sulfonamide, Carbonic anhydrase 2, ZINC ION | | Authors: | Fox, J.M, Kang, K, Sastry, M, Sherman, W, Sankaran, B, Zwart, P.H, Whitesides, G.M. | | Deposit date: | 2016-04-17 | | Release date: | 2017-01-11 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (1.34 Å) | | Cite: | Water-Restructuring Mutations Can Reverse the Thermodynamic Signature of Ligand Binding to Human Carbonic Anhydrase.
Angew. Chem. Int. Ed. Engl., 56, 2017
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5BRU
 | | Catalytic Improvement of an Artificial Metalloenzyme by Computational Design | | Descriptor: | Carbonic anhydrase 2, SULFATE ION, ZINC ION, ... | | Authors: | Heinisch, T, Pellizzoni, M, Duerrenberger, M, Tinberg, C.E, Koehler, V, Klehr, J, Haeussinger, D, Baker, D, Ward, T.R. | | Deposit date: | 2015-06-01 | | Release date: | 2015-06-24 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | Improving the Catalytic Performance of an Artificial Metalloenzyme by Computational Design.
J.Am.Chem.Soc., 137, 2015
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5JEH
 | | Human carbonic anhydrase II (L198A) complexed with benzo[d]thiazole-2-sulfonamide | | Descriptor: | 1,3-benzothiazole-2-sulfonamide, Carbonic anhydrase 2, ZINC ION | | Authors: | Fox, J.M, Kang, K, Sastry, M, Sherman, W, Sankaran, B, Zwart, P.H, Whitesides, G.M. | | Deposit date: | 2016-04-18 | | Release date: | 2017-01-11 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (1.13 Å) | | Cite: | Water-Restructuring Mutations Can Reverse the Thermodynamic Signature of Ligand Binding to Human Carbonic Anhydrase.
Angew. Chem. Int. Ed. Engl., 56, 2017
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5JN3
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7BF1
 | | Ca2+-Calmodulin in complex with peptide from brain-type creatine kinase in extended 1:2 binding mode | | Descriptor: | ACETYL GROUP, CALCIUM ION, Calmodulin-1, ... | | Authors: | Sprenger, J, Akerfeldt, K.S, Bredfelt, J, Patel, N, Rowlett, R, Trifan, A, Vanderbeck, A, Lo Leggio, L, Snogerup Linse, S. | | Deposit date: | 2020-12-31 | | Release date: | 2021-07-21 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (1.24 Å) | | Cite: | Calmodulin complexes with brain and muscle creatine kinase peptides.
Curr Res Struct Biol, 3, 2021
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