1TA6
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![BU of 1ta6 by Molmil](/molmil-images/mine/1ta6) | Crystal structure of thrombin in complex with compound 14b | Descriptor: | 1-[2-AMINO-2-CYCLOHEXYL-ACETYL]-PYRROLIDINE-3-CARBOXYLIC ACID 5-CHLORO-2-(2-ETHYLCARBAMOYL-ETHOXY)-BENZYLAMIDE, Hirudin, thrombin | Authors: | Tucker, T.J, Brady, S.F, Lumma, W.C, Lewis, S.D, Gardel, S.J, Naylor-Olsen, A.M, Yan, Y, Sisko, J.T, Stauffer, K.J, Lucas, B.Y, Lynch, J.J, Cook, J.J, Stranieri, M.T, Holahan, M.A, Lyle, E.A, Baskin, E.P, Chen, I.-W, Dancheck, K.B, Krueger, J.A, Cooper, C.M, Vacca, J.P. | Deposit date: | 2004-05-19 | Release date: | 2004-06-08 | Last modified: | 2017-10-11 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Design and synthesis of a series of potent and orally bioavailable
noncovalent thrombin inhibitors that utilize nonbasic groups in the P1 position J.Med.Chem., 41, 1998
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5G37
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![BU of 5g37 by Molmil](/molmil-images/mine/5g37) | MR structure of the binary mosquito larvicide BinAB at pH 5 | Descriptor: | 41.9 KDA INSECTICIDAL TOXIN, LARVICIDAL TOXIN 51 KDA PROTEIN | Authors: | Colletier, J.P, Sawaya, M.R, Gingery, M, Rodriguez, J.A, Cascio, D, Brewster, A.S, Michels-Clark, T, Boutet, S, Williams, G.J, Messerschmidt, M, DePonte, D.P, Sierra, R.G, Laksmono, H, Koglin, J.E, Hunter, M.S, W Park, H, Uervirojnangkoorn, M, Bideshi, D.L, Brunger, A.T, Federici, B.A, Sauter, N.K, Eisenberg, D.S. | Deposit date: | 2016-04-24 | Release date: | 2016-10-05 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | De Novo Phasing with X-Ray Laser Reveals Mosquito Larvicide Binab Structure. Nature, 539, 2016
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1T9B
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![BU of 1t9b by Molmil](/molmil-images/mine/1t9b) | Crystal structure of yeast acetohydroxyacid synthase in complex with a sulfonylurea herbicide, chlorsulfuron | Descriptor: | 1-(2-CHLOROPHENYLSULFONYL)-3-(4-METHOXY-6-METHYL-L,3,5-TRIAZIN-2-YL)UREA, 2-{[(4-AMINO-2-METHYLPYRIMIDIN-5-YL)METHYL]AMINO}PROPANE-1-THIOL, 5-(AMINOMETHYL)-2-METHYLPYRIMIDIN-4-AMINE, ... | Authors: | McCourt, J.A, Pang, S.S, Guddat, L.W, Duggleby, R.G. | Deposit date: | 2004-05-16 | Release date: | 2004-12-21 | Last modified: | 2023-08-23 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Elucidating the specificity of binding of sulfonylurea herbicides to acetohydroxyacid synthase. Biochemistry, 44, 2005
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1TA2
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![BU of 1ta2 by Molmil](/molmil-images/mine/1ta2) | Crystal structure of thrombin in complex with compound 1 | Descriptor: | 1-(2-AMINO-3,3-DIPHENYL-PROPIONYL)-PYRROLIDINE-3-CARBOXYLIC ACID 2,5-DICHLORO-BENZYLAMIDE, Hirudin, thrombin | Authors: | Tucker, T.J, Brady, S.F, Lumma, W.C, Lewis, S.D, Gardel, S.J, Naylor-Olsen, A.M, Yan, Y, Sisko, J.T, Stauffer, K.J, Lucas, B.Y, Lynch, J.J, Cook, J.J, Stranieri, M.T, Holahan, M.A, Lyle, E.A, Baskin, E.P, Chen, I.-W, Dancheck, K.B, Krueger, J.A, Cooper, C.M, Vacca, J.P. | Deposit date: | 2004-05-19 | Release date: | 2004-06-08 | Last modified: | 2017-10-11 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Design and synthesis of a series of potent and orally bioavailable
noncovalent thrombin inhibitors that utilize nonbasic groups in the P1 position J.Med.Chem., 41, 1998
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1THK
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![BU of 1thk by Molmil](/molmil-images/mine/1thk) | Effect of Shuttle Location and pH Environment on H+ Transfer in Human Carbonic Anhydrase II | Descriptor: | Carbonic anhydrase II, ZINC ION | Authors: | Fisher, Z, Hernandez Prada, J.A, Tu, C.K, Duda, D, Yoshioka, C, An, H, Govindasamy, L, Silverman, D.N, McKenna, R. | Deposit date: | 2004-06-01 | Release date: | 2005-01-25 | Last modified: | 2023-08-23 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Structural and Kinetic Characterization of Active-Site Histidine as a Proton Shuttle in Catalysis by Human Carbonic Anhydrase II Biochemistry, 44, 2005
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1B7G
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![BU of 1b7g by Molmil](/molmil-images/mine/1b7g) | GLYCERALDEHYDE 3-PHOSPHATE DEHYDROGENASE | Descriptor: | PROTEIN (GLYCERALDEHYDE 3-PHOSPHATE DEHYDROGENASE), SULFATE ION | Authors: | Isupov, M.N, Littlechild, J.A. | Deposit date: | 1999-01-22 | Release date: | 1999-10-08 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (2.05 Å) | Cite: | Crystal structure of the glyceraldehyde-3-phosphate dehydrogenase from the hyperthermophilic archaeon Sulfolobus solfataricus. J.Mol.Biol., 291, 1999
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1T9D
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![BU of 1t9d by Molmil](/molmil-images/mine/1t9d) | Crystal Structure Of Yeast Acetohydroxyacid Synthase In Complex With A Sulfonylurea Herbicide, Metsulfuron methyl | Descriptor: | 2,5-DIMETHYL-PYRIMIDIN-4-YLAMINE, Acetolactate synthase, mitochondrial, ... | Authors: | McCourt, J.A, Pang, S.S, Guddat, L.W, Duggleby, R.G. | Deposit date: | 2004-05-16 | Release date: | 2004-12-21 | Last modified: | 2023-08-23 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Elucidating the specificity of binding of sulfonylurea herbicides to acetohydroxyacid synthase. Biochemistry, 44, 2005
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5H9A
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![BU of 5h9a by Molmil](/molmil-images/mine/5h9a) | Crystal structure of the Apo form of human cellular retinol binding protein 1 | Descriptor: | 2-[BIS-(2-HYDROXY-ETHYL)-AMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Retinol-binding protein 1 | Authors: | Golczak, M, Arne, J.M, Silvaroli, J.A, Kiser, P.D, Banerjee, S. | Deposit date: | 2015-12-26 | Release date: | 2016-03-02 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (1.381 Å) | Cite: | Ligand Binding Induces Conformational Changes in Human Cellular Retinol-binding Protein 1 (CRBP1) Revealed by Atomic Resolution Crystal Structures. J.Biol.Chem., 291, 2016
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5HEN
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![BU of 5hen by Molmil](/molmil-images/mine/5hen) | Crystal structure of the N-terminus R100L bromodomain mutant of human BRD2 | Descriptor: | 1,2-ETHANEDIOL, Bromodomain-containing protein 2 | Authors: | Tallant, C, Lori, C, Pasquo, A, Chiaraluce, R, Consalvi, V, Newman, J.A, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Knapp, S. | Deposit date: | 2016-01-06 | Release date: | 2016-01-20 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.79 Å) | Cite: | Crystal structure of the N-terminus R100L bromodomain mutant of human BRD2 To Be Published
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1TEX
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![BU of 1tex by Molmil](/molmil-images/mine/1tex) | Mycobacterium smegmatis Stf0 Sulfotransferase with Trehalose | Descriptor: | Stf0 Sulfotransferase, alpha-D-glucopyranose-(1-1)-alpha-D-glucopyranose | Authors: | Mougous, J.D, Petzold, C.J, Senaratne, R.H, Lee, D.H, Akey, D.L, Lin, F.L, Munchel, S.E, Pratt, M.R, Riley, L.W, Leary, J.A, Berger, J.M, Bertozzi, C.R. | Deposit date: | 2004-05-25 | Release date: | 2004-07-20 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | Identification, function and structure of the mycobacterial sulfotransferase that initiates sulfolipid-1 biosynthesis. Nat.Struct.Mol.Biol., 11, 2004
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1TG9
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![BU of 1tg9 by Molmil](/molmil-images/mine/1tg9) | Effect of Shuttle Location and pH Environment on H+ Transfer in Human Carbonic Anhydrase II | Descriptor: | Carbonic anhydrase II, ZINC ION | Authors: | Fisher, Z, Hernandez Prada, J.A, Tu, C.K, Duda, D, Yoshioka, C, An, H, Govindasamy, L, Silverman, D.N, McKenna, R. | Deposit date: | 2004-05-28 | Release date: | 2005-01-25 | Last modified: | 2023-08-23 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Structural and Kinetic Characterization of Active-Site Histidine as a Proton Shuttle in Catalysis by Human Carbonic Anhydrase II Biochemistry, 44, 2005
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1LU9
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![BU of 1lu9 by Molmil](/molmil-images/mine/1lu9) | Structure of methylene-tetrahydromethanopterin dehydrogenase from Methylobacterium extorquens AM1 | Descriptor: | Methylene Tetrahydromethanopterin Dehydrogenase | Authors: | Ermler, U, Hagemeier, C.H, Roth, A, Demmer, U, Grabarse, W, Warkentin, E, Vorholt, J.A. | Deposit date: | 2002-05-22 | Release date: | 2002-09-11 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Structure of methylene-tetrahydromethanopterin dehydrogenase from methylobacterium extorquens AM1. Structure, 10, 2002
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5HVQ
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![BU of 5hvq by Molmil](/molmil-images/mine/5hvq) | Alternative model of the MAGE-G1 NSE-1 complex | Descriptor: | Melanoma-associated antigen G1, Non-structural maintenance of chromosomes element 1 homolog, ZINC ION | Authors: | Newman, J.A, Cooper, C.D.O, Roos, A.K, Aitkenhead, H, Oppermann, U.C.T, Cho, H.J, Osman, R, Gileadi, O. | Deposit date: | 2016-01-28 | Release date: | 2016-10-26 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (2.923 Å) | Cite: | Structures of Two Melanoma-Associated Antigens Suggest Allosteric Regulation of Effector Binding. Plos One, 11, 2016
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5H8T
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![BU of 5h8t by Molmil](/molmil-images/mine/5h8t) | Crystal structure of human cellular retinol binding protein 1 in complex with all-trans-retinol | Descriptor: | RETINOL, Retinol-binding protein 1 | Authors: | Golczak, M, Arne, J.M, Silvaroli, J.A, Kiser, P.D, Banerjee, S. | Deposit date: | 2015-12-23 | Release date: | 2016-03-02 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (1.21 Å) | Cite: | Ligand Binding Induces Conformational Changes in Human Cellular Retinol-binding Protein 1 (CRBP1) Revealed by Atomic Resolution Crystal Structures. J.Biol.Chem., 291, 2016
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1SZS
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![BU of 1szs by Molmil](/molmil-images/mine/1szs) | The structure of gamma-aminobutyrate aminotransferase mutant: I50Q | Descriptor: | 1,2-ETHANEDIOL, 4'-DEOXY-4'-AMINOPYRIDOXAL-5'-PHOSPHATE, 4-aminobutyrate aminotransferase, ... | Authors: | Liu, W, Peterson, P.E, Langston, J.A, Jin, X, Zhou, X, Fisher, A.J, Toney, M.D. | Deposit date: | 2004-04-06 | Release date: | 2005-03-01 | Last modified: | 2021-10-27 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Kinetic and Crystallographic Analysis of Active Site Mutants of Escherichia coligamma-Aminobutyrate Aminotransferase. Biochemistry, 44, 2005
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1LUA
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![BU of 1lua by Molmil](/molmil-images/mine/1lua) | Structure of methylene-tetrahydromethanopterin dehydrogenase from Methylobacterium extorquens AM1 complexed with NADP | Descriptor: | Methylene Tetrahydromethanopterin Dehydrogenase, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE | Authors: | Ermler, U, Hagemeier, C.H, Roth, A, Demmer, U, Grabarse, W, Warkentin, E, Vorholt, J.A. | Deposit date: | 2002-05-22 | Release date: | 2002-09-11 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Structure of methylene-tetrahydromethanopterin dehydrogenase from methylobacterium extorquens AM1. Structure, 10, 2002
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1T1F
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![BU of 1t1f by Molmil](/molmil-images/mine/1t1f) | Crystal Structure of Native Antithrombin in its Monomeric Form | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Antithrombin-III, GLYCEROL, ... | Authors: | Johnson, D.J.D, Huntington, J.A. | Deposit date: | 2004-04-16 | Release date: | 2005-10-04 | Last modified: | 2023-08-23 | Method: | X-RAY DIFFRACTION (2.75 Å) | Cite: | Crystal structure of monomeric native antithrombin reveals a novel reactive center loop conformation J.Biol.Chem., 281, 2006
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5HEM
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![BU of 5hem by Molmil](/molmil-images/mine/5hem) | Crystal structure of the N-terminus D161Y bromodomain mutant of human BRD2 | Descriptor: | 1,2-ETHANEDIOL, ACETATE ION, Bromodomain-containing protein 2, ... | Authors: | Tallant, C, Lori, C, Pasquo, A, Chiaraluce, R, Consalvi, V, Newman, J.A, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Knapp, S. | Deposit date: | 2016-01-06 | Release date: | 2016-01-20 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.65 Å) | Cite: | Crystal structure of the N-terminus D161Y bromodomain mutant of human BRD2 To Be Published
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1TEL
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![BU of 1tel by Molmil](/molmil-images/mine/1tel) | Crystal structure of a RubisCO-like protein from Chlorobium tepidum | Descriptor: | ribulose bisphosphate carboxylase, large subunit | Authors: | Fedorov, A.A, Fedorov, E.V, Imker, H.J, Gerlt, J.A, Almo, S.C, Burley, S.K, New York SGX Research Center for Structural Genomics (NYSGXRC) | Deposit date: | 2004-05-25 | Release date: | 2004-10-05 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | Crystal structure of a RubisCO-like protein from Chlorobium tepidum To be Published
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1TG3
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![BU of 1tg3 by Molmil](/molmil-images/mine/1tg3) | Effect of Shuttle Location and pH Environment on H+ Transfer in Human Carbonic Anhydrase II | Descriptor: | Carbonic anhydrase II, SULFATE ION, ZINC ION | Authors: | Fisher, Z, Hernandez Prada, J.A, Tu, C.K, Duda, D, Yoshioka, C, An, H, Govindasamy, L, Silverman, D.N, McKenna, R. | Deposit date: | 2004-05-28 | Release date: | 2005-01-25 | Last modified: | 2023-08-23 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Structural and Kinetic Characterization of Active-Site Histidine as a Proton Shuttle in Catalysis by Human Carbonic Anhydrase II Biochemistry, 44, 2005
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5HFK
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![BU of 5hfk by Molmil](/molmil-images/mine/5hfk) | CRYSTAL STRUCTURE OF A GLUTATHIONE S-TRANSFERASE PROTEIN FROM ESCHERICHIA COLI OCh 157:H7 STR. SAKAI (ECs3186, TARGET EFI-507414) WITH BOUND GLUTATHIONE | Descriptor: | Disulfide-bond oxidoreductase YfcG, GLUTATHIONE | Authors: | Himmel, D.M, Toro, R, Al Obaidi, N.F, Morisco, L.L, Wasserman, S.R, Stead, M, Attonito, J.D, Scott Glenn, A, Chamala, S, Chowdhury, S, Lafleur, J, Evans, B, Hillerich, B, Love, J, Seidel, R.D, Whalen, K.L, Gerlt, J.A, Almo, S.C, Enzyme Function Initiative (EFI), New York Structural Genomics Research Consortium (NYSGRC) | Deposit date: | 2016-01-07 | Release date: | 2016-02-10 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (1.551 Å) | Cite: | CRYSTAL STRUCTURE OF A GLUTATHIONE S-TRANSFERASE PROTEIN FROM ESCHERICHIA COLI OCh 157:H7 STR. SAKAI (ECs3186, TARGET EFI-507414) WITH BOUND GLUTATHIONE TO BE PUBLISHED
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1T9H
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![BU of 1t9h by Molmil](/molmil-images/mine/1t9h) | The crystal structure of YloQ, a circularly permuted GTPase. | Descriptor: | ACETATE ION, CALCIUM ION, Probable GTPase engC, ... | Authors: | Levdikov, V.M, Blagova, E.V, Brannigan, J.A, Cladiere, L, Antson, A.A, Isupov, M.N, Seror, S.J, Wilkinson, A.J. | Deposit date: | 2004-05-17 | Release date: | 2004-11-02 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | The Crystal Structure of YloQ, a Circularly Permuted GTPase Essential for Bacillus Subtilis Viability. J.Mol.Biol., 340, 2004
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1TBT
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![BU of 1tbt by Molmil](/molmil-images/mine/1tbt) | Effect of Shuttle Location and pH Environment on H+ Transfer in Human Carbonic Anhydrase II | Descriptor: | Carbonic anhydrase II, ZINC ION | Authors: | Fisher, Z, Hernandez Prada, J.A, Tu, C.K, Duda, D, Yoshioka, C, An, H, Govindasamy, L, Silverman, D.N, McKenna, R. | Deposit date: | 2004-05-20 | Release date: | 2005-01-25 | Last modified: | 2023-08-23 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Structural and Kinetic Characterization of Active-Site Histidine as a Proton Shuttle in Catalysis by Human Carbonic Anhydrase II. Biochemistry, 44, 2005
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1TH9
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![BU of 1th9 by Molmil](/molmil-images/mine/1th9) | Effect of Shuttle Location and pH Environment on H+ Transfer in Human Carbonic Anhydrase II | Descriptor: | Carbonic anhydrase II, SULFATE ION, ZINC ION | Authors: | Fisher, Z, Hernandez Prada, J.A, Tu, C.K, Duda, D, Yoshioka, C, An, H, Govindasamy, L, Silverman, D.N, McKenna, R. | Deposit date: | 2004-06-01 | Release date: | 2005-01-25 | Last modified: | 2023-08-23 | Method: | X-RAY DIFFRACTION (1.63 Å) | Cite: | Structural and Kinetic Characterization of Active-Site Histidine as a Proton Shuttle in Catalysis by Human Carbonic Anhydrase II Biochemistry, 44, 2005
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1THO
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![BU of 1tho by Molmil](/molmil-images/mine/1tho) | |