3GJN
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4OHM
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![BU of 4ohm by Molmil](/molmil-images/mine/4ohm) | Human GKRP bound to AMG-0771 and sorbitol-6-phosphate | Descriptor: | (2S)-2-{4-[(2S)-4-[(6-aminopyridin-3-yl)sulfonyl]-2-(prop-1-yn-1-yl)piperazin-1-yl]phenyl}-3,3,3-trifluoropropane-1,2-diol, D-SORBITOL-6-PHOSPHATE, GLYCEROL, ... | Authors: | Jordan, S.R, Chmait, S. | Deposit date: | 2014-01-17 | Release date: | 2014-07-30 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Small molecule disruptors of the glucokinase-glucokinase regulatory protein interaction: 3. Structure-activity relationships within the aryl carbinol region of the N-arylsulfonamido-N'-arylpiperazine series. J.Med.Chem., 57, 2014
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6Q2K
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3LM1
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![BU of 3lm1 by Molmil](/molmil-images/mine/3lm1) | Crystal Structure Analysis of Maclura pomifera agglutinin complex with p-nitrophenyl-GalNAc | Descriptor: | 4-nitrophenyl 2-acetamido-2-deoxy-beta-D-glucopyranoside, Agglutinin alpha chain, Agglutinin beta-2 chain | Authors: | Huang, J, Xu, Z, Wang, D, Ogato, C, Hirama, T, Palczewski, K, Hazen, S.L, Lee, X, Young, N.M. | Deposit date: | 2010-01-29 | Release date: | 2010-09-22 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Characterization of the secondary binding sites of Maclura pomifera agglutinin by glycan array and crystallographic analyses. Glycobiology, 20, 2010
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4YEO
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![BU of 4yeo by Molmil](/molmil-images/mine/4yeo) | Triclinic HEWL co-crystallised with cisplatin, studied at a data collection temperature of 150K - new refinement | Descriptor: | 1,2-ETHANEDIOL, ACETATE ION, Cisplatin, ... | Authors: | Shabalin, I.G, Dauter, Z, Jaskolski, M, Minor, W, Wlodawer, A. | Deposit date: | 2015-02-24 | Release date: | 2015-03-04 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (0.98 Å) | Cite: | Crystallography and chemistry should always go together: a cautionary tale of protein complexes with cisplatin and carboplatin. Acta Crystallogr.,Sect.D, 71, 2015
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4YMJ
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![BU of 4ymj by Molmil](/molmil-images/mine/4ymj) | (R)-2-Phenylpyrrolidine Substitute Imidazopyridazines: a New Class of Potent and Selective Pan-TRK Inhibitors | Descriptor: | 4-[6-(benzylamino)imidazo[1,2-b]pyridazin-3-yl]benzonitrile, CHLORIDE ION, GLYCEROL, ... | Authors: | Kreusch, A, Rucker, P, Molteni, V, Loren, J. | Deposit date: | 2015-03-06 | Release date: | 2015-06-03 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | (R)-2-Phenylpyrrolidine Substituted Imidazopyridazines: A New Class of Potent and Selective Pan-TRK Inhibitors. Acs Med.Chem.Lett., 6, 2015
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6Q2L
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3G4D
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![BU of 3g4d by Molmil](/molmil-images/mine/3g4d) | Crystal Structure of (+)-delta-Cadinene Synthase from Gossypium arboreum and Evolutionary Divergence of Metal Binding Motifs for Catalysis | Descriptor: | (+)-delta-cadinene synthase isozyme XC1, BETA-MERCAPTOETHANOL, GLYCEROL | Authors: | Gennadios, H.A, Di Costanzo, L, Miller, D.J, Allemann, R.K, Christianson, D.W. | Deposit date: | 2009-02-03 | Release date: | 2009-06-16 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (2.403 Å) | Cite: | Crystal structure of (+)-delta-cadinene synthase from Gossypium arboreum and evolutionary divergence of metal binding motifs for catalysis. Biochemistry, 48, 2009
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3LVW
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![BU of 3lvw by Molmil](/molmil-images/mine/3lvw) | Glutathione-inhibited ScGCL | Descriptor: | GLUTATHIONE, Glutamate--cysteine ligase, TRIETHYLENE GLYCOL | Authors: | Biterova, E.I, Barycki, J.J. | Deposit date: | 2010-02-22 | Release date: | 2010-03-16 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Structural basis for feedback and pharmacological inhibition of Saccharomyces cerevisiae glutamate cysteine ligase. J.Biol.Chem., 285, 2010
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6K0E
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![BU of 6k0e by Molmil](/molmil-images/mine/6k0e) | The quinary complex of AsqJ-Fe-2OG-dehydrocyclopeptin-dioxygen | Descriptor: | (3~{Z})-4-methyl-3-(phenylmethylidene)-1~{H}-1,4-benzodiazepine-2,5-dione, 2-OXOGLUTARIC ACID, FE (III) ION, ... | Authors: | Liao, H.J, Chan, N.L. | Deposit date: | 2019-05-06 | Release date: | 2020-03-18 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (1.707 Å) | Cite: | The quinary complex of AsqJ-Fe-2OG-dehydrocyclopeptin-dioxygen J.Am.Chem.Soc., 2020
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5HI1
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![BU of 5hi1 by Molmil](/molmil-images/mine/5hi1) | Backbone Modifications in the Protein GB1 Helix: Aib24, beta-3-Lys28, beta-3-Lys31, Aib35 | Descriptor: | ACETATE ION, Immunoglobulin G-binding protein G | Authors: | Tavenor, N.A, Reinert, Z.E, Lengyel, G.A, Griffith, B.D, Horne, W.S. | Deposit date: | 2016-01-11 | Release date: | 2016-02-24 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (2.15 Å) | Cite: | Comparison of design strategies for alpha-helix backbone modification in a protein tertiary fold. Chem.Commun.(Camb.), 52, 2016
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4YPS
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![BU of 4yps by Molmil](/molmil-images/mine/4yps) | (R)-2-Phenylpyrrolidine Substitute Imidazopyridazines: a New Class of Potent and Selective Pan-TRK Inhibitors | Descriptor: | 4-{6-[(3R)-3-(3-fluorophenyl)morpholin-4-yl]imidazo[1,2-b]pyridazin-3-yl}benzonitrile, High affinity nerve growth factor receptor, SULFATE ION | Authors: | Kreusch, A, Rucker, P, Molteni, V, Loren, J. | Deposit date: | 2015-03-13 | Release date: | 2015-06-03 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (2.1012 Å) | Cite: | (R)-2-Phenylpyrrolidine Substituted Imidazopyridazines: A New Class of Potent and Selective Pan-TRK Inhibitors. Acs Med.Chem.Lett., 6, 2015
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3HKN
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![BU of 3hkn by Molmil](/molmil-images/mine/3hkn) | Human carbonic anhydrase II in complex with (2,3,4,6-Tetra-O-acetyl-beta-D-galactopyranosyl) -(1-4)-1,2,3,6-tetra-O-acetyl-1-thio-beta-D-glucopyranosylsulfonamide | Descriptor: | 2,3,4,6-tetra-O-acetyl-beta-D-galactopyranose-(1-4)-(1S)-2,3,6-tri-O-acetyl-1,5-anhydro-1-sulfamoyl-D-glucitol, Carbonic anhydrase 2, GLYCEROL, ... | Authors: | Paul, B, Poulsen, S.-A, Hofmann, A. | Deposit date: | 2009-05-25 | Release date: | 2009-10-13 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | S-glycosyl primary sulfonamides--a new structural class for selective inhibition of cancer-associated carbonic anhydrases. J.Med.Chem., 52, 2009
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5HKN
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![BU of 5hkn by Molmil](/molmil-images/mine/5hkn) | Crystal structure de novo designed fullerene organizing protein complex with fullerene | Descriptor: | (C_{60}-I_{h})[5,6]fullerene, fullerene organizing protein | Authors: | Paul, J, Acharya, R, Kim, K.-H, Kim, Y.H, Kim, N.H, Grigoryan, G, DeGardo, W.F. | Deposit date: | 2016-01-14 | Release date: | 2016-05-04 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (1.761 Å) | Cite: | Protein-directed self-assembly of a fullerene crystal. Nat Commun, 7, 2016
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3HKQ
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![BU of 3hkq by Molmil](/molmil-images/mine/3hkq) | Human carbonic anhydrase II in complex with 1-S-D-Galactopyranosylsulfonamide | Descriptor: | (1S)-1,5-anhydro-1-sulfamoyl-D-galactitol, Carbonic anhydrase 2, GLYCEROL, ... | Authors: | Paul, B, Poulsen, S.-A, Hofmann, A. | Deposit date: | 2009-05-25 | Release date: | 2009-10-13 | Last modified: | 2024-03-20 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | S-glycosyl primary sulfonamides--a new structural class for selective inhibition of cancer-associated carbonic anhydrases. J.Med.Chem., 52, 2009
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3LLY
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![BU of 3lly by Molmil](/molmil-images/mine/3lly) | Crystal Structure Analysis of Maclura pomifera agglutinin | Descriptor: | Agglutinin alpha chain, Agglutinin beta-2 chain | Authors: | Huang, J, Xu, Z, Wang, D, Ogato, C, Hirama, T, Palczewski, K, Hazen, S.L, Lee, X, Young, N.M. | Deposit date: | 2010-01-29 | Release date: | 2010-09-22 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (2.25 Å) | Cite: | Characterization of the secondary binding sites of Maclura pomifera agglutinin by glycan array and crystallographic analyses. Glycobiology, 20, 2010
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3HKU
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![BU of 3hku by Molmil](/molmil-images/mine/3hku) | Human carbonic anhydrase II in complex with topiramate | Descriptor: | Carbonic anhydrase 2, ZINC ION, [(3aS,5aR,8aR,8bS)-2,2,7,7-tetramethyltetrahydro-3aH-bis[1,3]dioxolo[4,5-b:4',5'-d]pyran-3a-yl]methyl sulfamate | Authors: | Paul, B, Poulsen, S.-A, Hofmann, A. | Deposit date: | 2009-05-25 | Release date: | 2009-10-13 | Last modified: | 2024-03-20 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | S-glycosyl primary sulfonamides--a new structural class for selective inhibition of cancer-associated carbonic anhydrases. J.Med.Chem., 52, 2009
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3HKT
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![BU of 3hkt by Molmil](/molmil-images/mine/3hkt) | Human carbonic anhydrase II in complex with alpha-D-Glucopyranosyl-(1->4)-1-thio-beta-D-glucopyranosylsulfonamide | Descriptor: | Carbonic anhydrase 2, ZINC ION, alpha-D-galactopyranose-(1-4)-(1S)-1,5-anhydro-1-sulfamoyl-D-galactitol | Authors: | Paul, B, Poulsen, S.-A, Hofmann, A. | Deposit date: | 2009-05-25 | Release date: | 2009-10-13 | Last modified: | 2024-03-20 | Method: | X-RAY DIFFRACTION (2.36 Å) | Cite: | S-glycosyl primary sulfonamides--a new structural class for selective inhibition of cancer-associated carbonic anhydrases. J.Med.Chem., 52, 2009
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5VOE
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![BU of 5voe by Molmil](/molmil-images/mine/5voe) | DesGla-XaS195A Bound to Aptamer 11F7t | Descriptor: | Aptamer 11F7t (36-MER), CALCIUM ION, Coagulation factor X, ... | Authors: | Gunaratne, R, Kumar, S, Frederiksen, J.W, Stayrook, S, Lohrmann, J.L, Perry, K, Chabata, C.V, Thalji, N.K, Ho, M.D, Arepally, G, Camire, R.M, Krishnaswamy, S.K, Sullenger, B.A. | Deposit date: | 2017-05-02 | Release date: | 2018-06-20 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Combination of aptamer and drug for reversible anticoagulation in cardiopulmonary bypass. Nat. Biotechnol., 36, 2018
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5W3K
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![BU of 5w3k by Molmil](/molmil-images/mine/5w3k) | Crystal structure of Staphylococcus aureus ketol-acid reductoisomerase in complex NADPH, Mg2+ and CPD | Descriptor: | Ketol-acid reductoisomerase (NADP(+)), MAGNESIUM ION, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, ... | Authors: | Patel, K.M, Teran, D, Zheng, S, Kandale, A, Schembri, M, McGeary, R.P, Schenk, G, Guddat, L.W. | Deposit date: | 2017-06-08 | Release date: | 2017-10-25 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (1.589 Å) | Cite: | Crystal Structures of Staphylococcus aureus Ketol-Acid Reductoisomerase in Complex with Two Transition State Analogues that Have Biocidal Activity. Chemistry, 23, 2017
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4JB8
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![BU of 4jb8 by Molmil](/molmil-images/mine/4jb8) | Caspase-7 in Complex with DARPin C7_16 | Descriptor: | Caspase-7 subunit p11, Caspase-7 subunit p20, DARPin C7_16 | Authors: | Fluetsch, A, Seeger, M.A, Gruetter, M.G. | Deposit date: | 2013-02-19 | Release date: | 2013-08-21 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Design, construction, and characterization of a second-generation DARPin library with reduced hydrophobicity. Protein Sci., 22, 2013
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6K0F
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![BU of 6k0f by Molmil](/molmil-images/mine/6k0f) | The crystal structure of cyclopenin-bound AsqJ quinary complex | Descriptor: | (3~{R},3'~{S})-4-methyl-3'-phenyl-spiro[1~{H}-1,4-benzodiazepine-3,2'-oxirane]-2,5-dione, 2-OXOGLUTARIC ACID, FE (III) ION, ... | Authors: | Liao, H.J, Chan, N.L. | Deposit date: | 2019-05-06 | Release date: | 2020-03-18 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (1.634 Å) | Cite: | The crystal structure of cyclopenin-bound AsqJ quinary complex J.Am.Chem.Soc., 2020
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1TJL
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![BU of 1tjl by Molmil](/molmil-images/mine/1tjl) | Crystal structure of transcription factor DksA from E. coli | Descriptor: | DnaK suppressor protein, ZINC ION | Authors: | Perederina, A, Svetlov, V, Vassylyeva, M.N, Artsimovitch, I, Yokoyama, S, Vassylyev, D.G, RIKEN Structural Genomics/Proteomics Initiative (RSGI) | Deposit date: | 2004-06-06 | Release date: | 2004-09-07 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Regulation through the secondary channel--structural framework for ppGpp-DksA synergism during transcription Cell(Cambridge,Mass.), 118, 2004
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5UA0
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6KZL
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![BU of 6kzl by Molmil](/molmil-images/mine/6kzl) | Crystal Structure Of NDM-1 Metallo-beta-lactamase In Complex With Inhibitor X2 | Descriptor: | 2,5-diethyl-1-methyl-4-sulfamoyl-pyrrole-3-carboxylic acid, Beta-lactamase, SULFATE ION, ... | Authors: | Wachino, J. | Deposit date: | 2019-09-24 | Release date: | 2020-02-19 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (1.763 Å) | Cite: | Sulfamoyl Heteroarylcarboxylic Acids as Promising Metallo-beta-Lactamase Inhibitors for Controlling Bacterial Carbapenem Resistance. Mbio, 11, 2020
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