1I9Q
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![BU of 1i9q by Molmil](/molmil-images/mine/1i9q) | CARBONIC ANHYDRASE II (F131V) COMPLEXED WITH 4-(AMINOSULFONYL)-N-[(3,4,5-TRIFLUOROPHENYL)METHYL]-BENZAMIDE | Descriptor: | 4-(AMINOSULFONYL)-N-[(3,4,5-TRIFLUOROPHENYL)METHYL]-BENZAMIDE, CARBONIC ANHYDRASE II, MERCURY (II) ION, ... | Authors: | Kim, C.-Y, Chandra, P.P, Jain, A, Christianson, D.W. | Deposit date: | 2001-03-20 | Release date: | 2001-03-28 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Fluoroaromatic-fluoroaromatic interactions between inhibitors bound in the crystal lattice of human carbonic anhydrase II. J.Am.Chem.Soc., 123, 2001
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1I91
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![BU of 1i91 by Molmil](/molmil-images/mine/1i91) | CARBONIC ANHYDRASE II COMPLEXED WITH AL-6619 2H-THIENO[3,2-E]-1,2-THIAZINE-6-SULFONAMIDE, 2-(3-HYDROXYPHENYL)-3-(4-MORPHOLINYL)-, 1,1-DIOXIDE | Descriptor: | 6-[N-(3-HYDROXY-PHENYL)-3-(MORPHOLIN-4-YLMETHYL)-2H-THIENO[3,2-E]-1,2-THIAZINE-1,1,-DIOXIDE]-SULFONAMIDE, CARBONIC ANHYDRASE II, MERCURY (II) ION, ... | Authors: | Kim, C.-Y, Chang, J.S, Liao, J, May, J.A, Christianson, D.W. | Deposit date: | 2001-03-16 | Release date: | 2001-03-28 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Structural aspects of isozyme selectivity in the binding of inhibitors to carbonic anhydrases II and IV. J.Med.Chem., 45, 2002
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1I9P
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![BU of 1i9p by Molmil](/molmil-images/mine/1i9p) | CARBONIC ANHYDRASE II (F131V) COMPLEXED WITH 4-(AMINOSULFONYL)-N-[(2,4,6-TRIFLUOROPHENYL)METHYL]-BENZAMIDE | Descriptor: | 4-(AMINOSULFONYL)-N-[(2,4,6-TRIFLUOROPHENYL)METHYL]-BENZAMIDE, CARBONIC ANHYDRASE II, MERCURY (II) ION, ... | Authors: | Kim, C.-Y, Chandra, P.P, Jain, A, Christianson, D.W. | Deposit date: | 2001-03-20 | Release date: | 2001-03-28 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (1.92 Å) | Cite: | Fluoroaromatic-fluoroaromatic interactions between inhibitors bound in the crystal lattice of human carbonic anhydrase II. J.Am.Chem.Soc., 123, 2001
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1I9L
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![BU of 1i9l by Molmil](/molmil-images/mine/1i9l) | CARBONIC ANHYDRASE II (F131V) COMPLEXED WITH 4-(AMINOSULFONYL)-N-[(4-FLUOROPHENYL)METHYL]-BENZAMIDE | Descriptor: | 4-(AMINOSULFONYL)-N-[(4-FLUOROPHENYL)METHYL]-BENZAMIDE, CARBONIC ANHYDRASE II, MERCURY (II) ION, ... | Authors: | Kim, C.-Y, Chandra, P.P, Jain, A, Christianson, D.W. | Deposit date: | 2001-03-20 | Release date: | 2001-03-28 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (1.93 Å) | Cite: | Fluoroaromatic-fluoroaromatic interactions between inhibitors bound in the crystal lattice of human carbonic anhydrase II. J.Am.Chem.Soc., 123, 2001
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1I9M
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![BU of 1i9m by Molmil](/molmil-images/mine/1i9m) | CARBONIC ANHYDRASE II (F131V) COMPLEXED WITH 4-(AMINOSULFONYL)-N-[(2,4-DIFLUOROPHENYL)METHYL]-BENZAMIDE | Descriptor: | 4-(AMINOSULFONYL)-N-[(2,4-DIFLUOROPHENYL)METHYL]-BENZAMIDE, CARBONIC ANHYDRASE II, MERCURY (II) ION, ... | Authors: | Kim, C.-Y, Chandra, P.P, Jain, A, Christianson, D.W. | Deposit date: | 2001-03-20 | Release date: | 2001-03-28 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (1.84 Å) | Cite: | Fluoroaromatic-fluoroaromatic interactions between inhibitors bound in the crystal lattice of human carbonic anhydrase II. J.Am.Chem.Soc., 123, 2001
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7SH1
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![BU of 7sh1 by Molmil](/molmil-images/mine/7sh1) | Class II UvrA protein - Ecm16 | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, CHLORIDE ION, Excinuclease ABC subunit UvrA, ... | Authors: | Grade, P, Erlandson, A, Ullah, A, Mathews, I.I, Chen, X, Kim, C.-Y, Mera, P.E. | Deposit date: | 2021-10-07 | Release date: | 2022-10-26 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (2.04 Å) | Cite: | Structural and functional analyses of the echinomycin resistance conferring protein Ecm16 from Streptomyces lasalocidi. Sci Rep, 13, 2023
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4RZM
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![BU of 4rzm by Molmil](/molmil-images/mine/4rzm) | Crystal structure of the Lsd19-lasalocid A complex | Descriptor: | CHLORIDE ION, Epoxide hydrolase LasB, FORMIC ACID, ... | Authors: | Mathews, I.I, Hotta, K, Chen, X, Kim, C.-Y. | Deposit date: | 2014-12-22 | Release date: | 2015-01-21 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (2.33 Å) | Cite: | Epoxide hydrolase-lasalocid a structure provides mechanistic insight into polyether natural product biosynthesis. J.Am.Chem.Soc., 137, 2015
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3L1B
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![BU of 3l1b by Molmil](/molmil-images/mine/3l1b) | Complex Structure of FXR Ligand-binding domain with a tetrahydroazepinoindole compound | Descriptor: | 1-methylethyl 8-fluoro-1,1-dimethyl-3-{[4-(3-morpholin-4-ylpropoxy)phenyl]carbonyl}-1,2,3,6-tetrahydroazepino[4,5-b]indole-5-carboxylate, Farnesoid X receptor | Authors: | Xu, W, Lundquist, J.T. | Deposit date: | 2009-12-11 | Release date: | 2010-03-02 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Improvement of Physiochemical Properties of the Tetrahydroazepinoindole Series of Farnesoid X Receptor (FXR) Agonists: Beneficial Modulation of Lipids in Primates. J.Med.Chem., 53, 2010
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4NEC
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![BU of 4nec by Molmil](/molmil-images/mine/4nec) | Conversion of a Disulfide Bond into a Thioacetal Group during Echinomycin Biosynthesis | Descriptor: | 2-CARBOXYQUINOXALINE, ACETATE ION, Echinomycin, ... | Authors: | Hotta, K, Keegan, R.M, Ranganathan, S, Fang, M, Bibby, J, Winn, M.D, Sato, M, Lian, M, Watanabe, K, Rigden, D.J, Kim, C.-Y. | Deposit date: | 2013-10-29 | Release date: | 2014-01-15 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | Conversion of a disulfide bond into a thioacetal group during echinomycin biosynthesis. Angew.Chem.Int.Ed.Engl., 53, 2014
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4X1U
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![BU of 4x1u by Molmil](/molmil-images/mine/4x1u) | |
4X0X
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![BU of 4x0x by Molmil](/molmil-images/mine/4x0x) | |
5KSV
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![BU of 5ksv by Molmil](/molmil-images/mine/5ksv) | Crystal structure of HLA-DQ2.5-CLIP2 | Descriptor: | HLA class II histocompatibility antigen gamma chain, MHC class II HLA-DQ-alpha chain, MHC class II HLA-DQ-beta-1 | Authors: | Nguyen, T.B, Jayaraman, P, Bergseng, E, Madhusudhan, M.S, Kim, C.-Y, Sollid, L.M. | Deposit date: | 2016-07-10 | Release date: | 2017-04-05 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (2.195 Å) | Cite: | Unraveling the structural basis for the unusually rich association of human leukocyte antigen DQ2.5 with class-II-associated invariant chain peptides. J. Biol. Chem., 292, 2017
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5KSU
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![BU of 5ksu by Molmil](/molmil-images/mine/5ksu) | Crystal structure of HLA-DQ2.5-CLIP1 at 2.73 resolution | Descriptor: | HLA class II histocompatibility antigen gamma chain, HLA class II histocompatibility antigen, DQ alpha 1 chain, ... | Authors: | Nguyen, T.-B, Jayaraman, P, Bergseng, E, Madhusudhan, M.S, Kim, C.-Y, Sollid, L.M. | Deposit date: | 2016-07-10 | Release date: | 2017-04-05 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (2.73 Å) | Cite: | Unraveling the structural basis for the unusually rich association of human leukocyte antigen DQ2.5 with class-II-associated invariant chain peptides. J. Biol. Chem., 292, 2017
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2A7Y
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![BU of 2a7y by Molmil](/molmil-images/mine/2a7y) | Solution Structure of the Conserved Hypothetical Protein Rv2302 from the Bacterium Mycobacterium tuberculosis | Descriptor: | Hypothetical protein Rv2302/MT2359 | Authors: | Buchko, G.W, Kim, C.-Y, Terwilliger, T.C, Kennedy, M.A, TB Structural Genomics Consortium (TBSGC) | Deposit date: | 2005-07-06 | Release date: | 2005-08-23 | Last modified: | 2024-05-22 | Method: | SOLUTION NMR | Cite: | Solution structure of the conserved hypothetical protein Rv2302 from Mycobacterium tuberculosis. J.Bacteriol., 188, 2006
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5WY8
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![BU of 5wy8 by Molmil](/molmil-images/mine/5wy8) | Crystal structure of PTP delta Ig1-Ig3 in complex with IL1RAPL1 Ig1-Ig3 | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Interleukin-1 receptor accessory protein-like 1, ... | Authors: | Kim, H.M, Won, S.Y, Kim, D. | Deposit date: | 2017-01-11 | Release date: | 2017-11-22 | Last modified: | 2020-07-29 | Method: | X-RAY DIFFRACTION (3.07 Å) | Cite: | LAR-RPTP Clustering Is Modulated by Competitive Binding between Synaptic Adhesion Partners and Heparan Sulfate Front Mol Neurosci, 10, 2017
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7BTK
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![BU of 7btk by Molmil](/molmil-images/mine/7btk) | E.coli beta-galactosidase (E537Q) in complex with fluorescent probe KSA01 | Descriptor: | 4-[[2-[(E)-2-[4-[(2S,3R,4S,5R,6R)-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxyphenyl]ethenyl]-3,3-dimethyl-2H-indol-1-yl]methyl]benzoic acid, Beta-galactosidase, DIMETHYL SULFOXIDE, ... | Authors: | Chen, X, Hu, Y.L, Liu, Q.M, Gao, Y, Yuan, R, Guo, Y. | Deposit date: | 2020-04-01 | Release date: | 2021-03-03 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | Two-Dimensional Design Strategy to Construct Smart Fluorescent Probes for the Precise Tracking of Senescence. Angew.Chem.Int.Ed.Engl., 60, 2021
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7BRS
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![BU of 7brs by Molmil](/molmil-images/mine/7brs) | E.coli beta-galactosidase (E537Q) in complex with fluorescent probe KSA02 | Descriptor: | 8-[2-[(E)-2-[4-[(2S,3R,4S,5R,6R)-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxyphenyl]ethenyl]-3,3-dimethyl-indol-1-ium-1-yl]octanoic acid, Beta-galactosidase, DIMETHYL SULFOXIDE, ... | Authors: | Chen, X, Hu, Y.L, Gao, Y, Yuan, R, Guo, Y. | Deposit date: | 2020-03-30 | Release date: | 2021-03-03 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.67 Å) | Cite: | Two-Dimensional Design Strategy to Construct Smart Fluorescent Probes for the Precise Tracking of Senescence. Angew.Chem.Int.Ed.Engl., 60, 2021
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7S6C
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![BU of 7s6c by Molmil](/molmil-images/mine/7s6c) | CryoEM structure of modular PKS holo-Lsd14 stalled at the condensation step and bound to antibody fragment 1B2, composite structure | Descriptor: | 2'-MONOPHOSPHOADENOSINE-5'-DIPHOSPHATE, 4'-PHOSPHOPANTETHEINE, 6-deoxyerythronolide-B synthase EryA2, ... | Authors: | Bagde, S.R, Kim, C.-Y, Fromme, J.C. | Deposit date: | 2021-09-13 | Release date: | 2021-11-03 | Last modified: | 2021-11-17 | Method: | ELECTRON MICROSCOPY (3.1 Å) | Cite: | Modular polyketide synthase contains two reaction chambers that operate asynchronously. Science, 374, 2021
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7S6D
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![BU of 7s6d by Molmil](/molmil-images/mine/7s6d) | CryoEM structure of modular PKS holo-Lsd14 bound to antibody fragment 1B2, composite structure | Descriptor: | 2'-MONOPHOSPHOADENOSINE-5'-DIPHOSPHATE, 6-deoxyerythronolide-B synthase EryA2, modules 3 and 4, ... | Authors: | Bagde, S.R, Kim, C.-Y, Fromme, J.C. | Deposit date: | 2021-09-13 | Release date: | 2021-11-03 | Last modified: | 2021-11-17 | Method: | ELECTRON MICROSCOPY (3.1 Å) | Cite: | Modular polyketide synthase contains two reaction chambers that operate asynchronously. Science, 374, 2021
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7S6B
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![BU of 7s6b by Molmil](/molmil-images/mine/7s6b) | |
4RCA
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![BU of 4rca by Molmil](/molmil-images/mine/4rca) | Crystal structure of human PTPdelta and human Slitrk1 complex | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Receptor-type tyrosine-protein phosphatase delta, SLIT and NTRK-like protein 1, ... | Authors: | Kim, H.M, Park, B.S, Kim, D, Lee, S.G. | Deposit date: | 2014-09-15 | Release date: | 2014-11-19 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (2.9908 Å) | Cite: | Structural basis for LAR-RPTP/Slitrk complex-mediated synaptic adhesion. Nat Commun, 5, 2014
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4RCW
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![BU of 4rcw by Molmil](/molmil-images/mine/4rcw) | |
3GOR
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![BU of 3gor by Molmil](/molmil-images/mine/3gor) | Crystal structure of putative metal-dependent hydrolase APC36150 | Descriptor: | NICKEL (II) ION, Putative metal-dependent hydrolase | Authors: | Cooper, D.R, Grelewska, K, Derewenda, Z.S, Integrated Center for Structure and Function Innovation (ISFI) | Deposit date: | 2009-03-19 | Release date: | 2009-05-19 | Last modified: | 2017-11-01 | Method: | X-RAY DIFFRACTION (2.511 Å) | Cite: | The structure of DinB from Geobacillus stearothermophilus: a representative of a unique four-helix-bundle superfamily. Acta Crystallogr.,Sect.F, 66, 2010
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1IF8
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![BU of 1if8 by Molmil](/molmil-images/mine/1if8) | Carbonic Anhydrase II Complexed With (S)-N-(3-Indol-1-yl-2-methyl-propyl)-4-sulfamoyl-benzamide | Descriptor: | (S)-N-(3-INDOL-1-YL-2-METHYL-PROPYL)-4-SULFAMOYL-BENZAMIDE, CARBONIC ANHYDRASE II, MERCURY (II) ION, ... | Authors: | Grzybowski, B.A, Ishchenko, A.V, Kim, C.-Y, Topalov, G, Chapman, R, Christianson, D.W, Whitesides, G.M, Shakhnovich, E.I. | Deposit date: | 2001-04-12 | Release date: | 2001-05-02 | Last modified: | 2023-08-16 | Method: | X-RAY DIFFRACTION (1.94 Å) | Cite: | Combinatorial computational method gives new picomolar ligands for a known enzyme. Proc.Natl.Acad.Sci.USA, 99, 2002
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1IF7
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![BU of 1if7 by Molmil](/molmil-images/mine/1if7) | Carbonic Anhydrase II Complexed With (R)-N-(3-Indol-1-yl-2-methyl-propyl)-4-sulfamoyl-benzamide | Descriptor: | (R)-N-(3-INDOL-1-YL-2-METHYL-PROPYL)-4-SULFAMOYL-BENZAMIDE, CARBONIC ANHYDRASE II, MERCURY (II) ION, ... | Authors: | Grzybowski, B.A, Ishchenko, A.V, Kim, C.-Y, Topalov, G, Chapman, R, Christianson, D.W, Whitesides, G.M, Shakhnovich, E.I. | Deposit date: | 2001-04-12 | Release date: | 2001-05-02 | Last modified: | 2023-08-16 | Method: | X-RAY DIFFRACTION (1.98 Å) | Cite: | Combinatorial computational method gives new picomolar ligands for a known enzyme. Proc.Natl.Acad.Sci.USA, 99, 2002
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