5TV1
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![BU of 5tv1 by Molmil](/molmil-images/mine/5tv1) | active arrestin-3 with inositol hexakisphosphate | Descriptor: | Beta-arrestin-2, GLYCEROL, INOSITOL HEXAKISPHOSPHATE | Authors: | Chen, Q, Gilbert, N.C, Perry, N.A, Vishniveteskiy, S, Gurevich, V.V, Iverson, T.M. | Deposit date: | 2016-11-07 | Release date: | 2017-11-22 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Structural basis of arrestin-3 activation and signaling. Nat Commun, 8, 2017
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1DXC
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![BU of 1dxc by Molmil](/molmil-images/mine/1dxc) | CO complex of Myoglobin Mb-YQR at 100K | Descriptor: | CARBON MONOXIDE, MYOGLOBIN, PROTOPORPHYRIN IX CONTAINING FE, ... | Authors: | Brunori, M, Vallone, B, Cutruzzola, F, Travaglini-Allocatelli, C, Berendzen, J, Chu, K, Sweet, R.M, Schlichting, I. | Deposit date: | 2000-01-03 | Release date: | 2000-04-02 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (1.4 Å) | Cite: | The Role of Cavities in Protein Dynamics: Crystal Structure of a Novel Photolytic Intermediate of Myoglobin Proc.Natl.Acad.Sci.USA, 97, 2000
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5U3B
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![BU of 5u3b by Molmil](/molmil-images/mine/5u3b) | Pseudomonas aeruginosa LpxC in complex with NVS-LPXC-01 | Descriptor: | 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, N-[(2S)-3-amino-1-(hydroxyamino)-3-methyl-1-oxobutan-2-yl]-4-[(but-2-yn-1-yl)oxy]benzamide, UDP-3-O-acyl-N-acetylglucosamine deacetylase, ... | Authors: | Sprague, E.R. | Deposit date: | 2016-12-01 | Release date: | 2017-06-07 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Design, Synthesis, and Properties of a Potent Inhibitor of Pseudomonas aeruginosa Deacetylase LpxC. J. Med. Chem., 60, 2017
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1HH9
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![BU of 1hh9 by Molmil](/molmil-images/mine/1hh9) | ANTI-P24 (HIV-1) FAB FRAGMENT CB41 COMPLEXED WITH A PEPTIDE | Descriptor: | IGG2A KAPPA ANTIBODY CB41 (HEAVY CHAIN), IGG2A KAPPA ANTIBODY CB41 (LIGHT CHAIN), PEP-2 | Authors: | Hahn, M, Wessner, H, Schneider-Mergener, J, Hohne, W. | Deposit date: | 2000-12-21 | Release date: | 2001-01-12 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | Evolutionary Transition Pathways for Changing Peptide Ligand Specificity and Structure Embo J., 19, 2000
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3E7J
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![BU of 3e7j by Molmil](/molmil-images/mine/3e7j) | HeparinaseII H202A/Y257A double mutant complexed with a heparan sulfate tetrasaccharide substrate | Descriptor: | 4-deoxy-alpha-L-threo-hex-4-enopyranuronic acid-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-alpha-D-glucopyranuronic acid-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ACETATE ION, Heparinase II protein, ... | Authors: | Shaya, D, Cygler, M. | Deposit date: | 2008-08-18 | Release date: | 2008-12-30 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Catalytic mechanism of heparinase II investigated by site-directed mutagenesis and the crystal structure with its substrate. J.Biol.Chem., 285, 2010
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2BE0
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![BU of 2be0 by Molmil](/molmil-images/mine/2be0) | Complex Between Paromomycin Derivative JS5-39 and the 16S-Rrna A-Site. | Descriptor: | (2S,3S,4R,5R,6R)-5-AMINO-2-(AMINOMETHYL)-6-((2R,3R,4R,5S)-5-((1R,2R,3S,5R,6S)-3,5-DIAMINO-2-((2S,3R,4R,5S,6R)-3-AMINO-4 ,5-DIHYDROXY-6-(HYDROXYMETHYL)-TETRAHYDRO-2H-PYRAN-2-YLOXY)-6-HYDROXYCYCLOHEXYLOXY)-2-(HYDROXYMETHYL)-4-(2-((R)-PIPERIDI N-3-YLMETHYLAMINO)ETHOXY)-TETRAHYDROFURAN-3-YLOXY)-TETRAHYDRO-2H-PYRAN-3,4-DIOL, 5'-R(*CP*GP*CP*GP*UP*CP*AP*CP*AP*CP*CP*GP*GP*UP*GP*AP*AP*GP*UP*CP*GP*C)-3' | Authors: | Francois, B, Westhof, E. | Deposit date: | 2005-10-21 | Release date: | 2005-12-20 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (2.63 Å) | Cite: | Antibacterial aminoglycosides with a modified mode of binding to the ribosomal-RNA decoding site ANGEW.CHEM.INT.ED.ENGL., 43, 2004
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1HH6
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![BU of 1hh6 by Molmil](/molmil-images/mine/1hh6) | ANTI-P24 (HIV-1) FAB FRAGMENT CB41 COMPLEXED WITH A PEPTIDE | Descriptor: | IGG2A KAPPA ANTIBODY CB41 (HEAVY CHAIN), IGG2A KAPPA ANTIBODY CB41 (LIGHT CHAIN), PEP-4 | Authors: | Hahn, M, Wessner, H, Schneider-Mergener, J, Hohne, W. | Deposit date: | 2000-12-21 | Release date: | 2001-01-26 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | Evolutionary Transition Pathways for Changing Peptide Ligand Specificity and Structure Embo J., 19, 2000
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2C8N
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![BU of 2c8n by Molmil](/molmil-images/mine/2c8n) | The Structure of a family 51 arabinofuranosidase, Araf51, from Clostridium thermocellum in complex with 1,3-linked arabinoside of xylobiose. | Descriptor: | 1,2-ETHANEDIOL, ALPHA-L-ARABINOFURANOSIDASE, alpha-L-arabinofuranose-(1-3)-alpha-D-xylopyranose | Authors: | Taylor, E.J, Smith, N.L, Turkenburg, J.P, D'Souza, S, Gilbert, H.J, Davies, G.J. | Deposit date: | 2005-12-06 | Release date: | 2005-12-14 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (2.9 Å) | Cite: | Structural Insight Into the Ligand Specificity of a Thermostable Family 51 Arabinofuranosidase, Araf51, from Clostridium Thermocellum. Biochem.J., 395, 2006
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3C3A
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![BU of 3c3a by Molmil](/molmil-images/mine/3c3a) | Crystal Structure of human phosphoglycerate kinase bound to 3-phosphoglycerate and L-ADP | Descriptor: | 3-PHOSPHOGLYCERIC ACID, ADENOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, ... | Authors: | Arold, S.T, Gondeau, C, Lionne, C, Chaloin, L. | Deposit date: | 2008-01-28 | Release date: | 2008-07-01 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Molecular basis for the lack of enantioselectivity of human 3-phosphoglycerate kinase Nucleic Acids Res., 36, 2008
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2C7F
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![BU of 2c7f by Molmil](/molmil-images/mine/2c7f) | The Structure of a family 51 arabinofuranosidase, Araf51, from Clostridium thermocellum in complex with 1,5-alpha-L-Arabinotriose. | Descriptor: | 1,2-ETHANEDIOL, ALPHA-L-ARABINOFURANOSIDASE, alpha-L-arabinofuranose-(1-5)-alpha-L-arabinofuranose, ... | Authors: | Taylor, E.J, Smith, N.L, Turkenburg, J.P, D'Souza, S, Gilbert, H.J, Davies, G.J. | Deposit date: | 2005-11-23 | Release date: | 2005-12-14 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | Structural Insight Into the Ligand Specificity of a Thermostable Family 51 Arabinofuranosidase, Araf51, from Clostridium Thermocellum. Biochem.J., 395, 2006
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5CT9
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![BU of 5ct9 by Molmil](/molmil-images/mine/5ct9) | G158E/K44E/R57E/Y49E Bacillus subtilis lipase A with 5% [BMIM][Cl] | Descriptor: | 1-butyl-3-methyl-1H-imidazol-3-ium, CHLORIDE ION, Esterase | Authors: | Nordwald, E.M, Plaks, J.G, Snell, J.R, Sousa, M.C, Kaar, J.L. | Deposit date: | 2015-07-23 | Release date: | 2015-11-04 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (1.4 Å) | Cite: | Crystallographic Investigation of Imidazolium Ionic Liquid Effects on Enzyme Structure. Chembiochem, 16, 2015
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1DXD
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![BU of 1dxd by Molmil](/molmil-images/mine/1dxd) | Photolyzed CO complex of Myoglobin Mb-YQR at 20K | Descriptor: | CARBON MONOXIDE, MYOGLOBIN, PROTOPORPHYRIN IX CONTAINING FE, ... | Authors: | Brunori, M, Vallone, B, Cutruzzola, F, Travaglini-Allocatelli, C, Berendzen, J, Chu, K, Sweet, R.M, Schlichting, I. | Deposit date: | 2000-01-03 | Release date: | 2000-03-27 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (1.4 Å) | Cite: | The Role of Cavities in Protein Dynamics: Crystal Structure of a Photolytic Intermediate of a Mutant Myoglobin. Proc.Natl.Acad.Sci.USA, 97, 2000
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5CT6
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![BU of 5ct6 by Molmil](/molmil-images/mine/5ct6) | Wild-type Bacillus subtilis lipase A with 20% [BMIM][Cl] | Descriptor: | 1-butyl-3-methyl-1H-imidazol-3-ium, CHLORIDE ION, Lipase EstA | Authors: | Nordwald, E.M, Plaks, J.G, Snell, J.R, Sousa, M.C, Kaar, J.L. | Deposit date: | 2015-07-23 | Release date: | 2015-11-04 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (1.902 Å) | Cite: | Crystallographic Investigation of Imidazolium Ionic Liquid Effects on Enzyme Structure. Chembiochem, 16, 2015
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5CT8
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![BU of 5ct8 by Molmil](/molmil-images/mine/5ct8) | G158E/K44E/R57E/Y49E Bacillus subtilis lipase A with 0% [BMIM][Cl] | Descriptor: | Quadruple mutant lipase A, SULFATE ION | Authors: | Nordwald, E.M, Plaks, J.G, Snell, J.R, Sousa, M.C, Kaar, J.L. | Deposit date: | 2015-07-23 | Release date: | 2015-11-04 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (1.29 Å) | Cite: | Crystallographic Investigation of Imidazolium Ionic Liquid Effects on Enzyme Structure. Chembiochem, 16, 2015
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1VP8
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![BU of 1vp8 by Molmil](/molmil-images/mine/1vp8) | |
5CT4
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![BU of 5ct4 by Molmil](/molmil-images/mine/5ct4) | Wild-type Bacillus subtilis lipase A with 5% [BMIM][Cl] | Descriptor: | 1-butyl-3-methyl-1H-imidazol-3-ium, CHLORIDE ION, Esterase, ... | Authors: | Nordwald, E.M, Plaks, J.G, Snell, J.R, Sousa, M.C, Kaar, J.L. | Deposit date: | 2015-07-23 | Release date: | 2015-11-04 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (1.49 Å) | Cite: | Crystallographic Investigation of Imidazolium Ionic Liquid Effects on Enzyme Structure. Chembiochem, 16, 2015
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5TF7
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![BU of 5tf7 by Molmil](/molmil-images/mine/5tf7) | Nucleotide-binding domain 1 of the human cystic fibrosis transmembrane conductance regulator (CFTR) with ATP | Descriptor: | ADENOSINE-5'-TRIPHOSPHATE, Cystic fibrosis transmembrane conductance regulator, MAGNESIUM ION | Authors: | Wang, C, Aleksandrov, A.A, Yang, Z, Forouhar, F, Proctor, E, Kota, P, An, J, Kaplan, A, Khazanov, N, Boel, G, Stockwell, B.R, Senderowitz, H, Dokholyan, N.V, Riordan, J.R, Brouillette, C.G, Hunt, J.F. | Deposit date: | 2016-09-24 | Release date: | 2018-05-09 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (1.931 Å) | Cite: | Thermodynamic correction of F508del-CFTR by ligand binding to a remote site in the mutated domain To Be Published
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5TFF
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![BU of 5tff by Molmil](/molmil-images/mine/5tff) | Nucleotide-binding domain 1 of the human cystic fibrosis transmembrane conductance regulator (CFTR) with UTP | Descriptor: | Cystic fibrosis transmembrane conductance regulator, MAGNESIUM ION, URIDINE 5'-TRIPHOSPHATE | Authors: | Wang, C, Aleksandrov, A.A, Yang, Z, Forouhar, F, Proctor, E, Kota, P, An, J, Kaplan, A, Khazanov, N, Boel, G, Stockwell, B.R, Senderowitz, H, Dokholyan, N.V, Riordan, J.R, Brouillette, C.G, Hunt, J.F. | Deposit date: | 2016-09-25 | Release date: | 2018-05-09 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (1.891 Å) | Cite: | Thermodynamic correction of F508del-CFTR by ligand binding to a remote site in the mutated domain To Be Published
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2XUC
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![BU of 2xuc by Molmil](/molmil-images/mine/2xuc) | Natural product-guided discovery of a fungal chitinase inhibitor | Descriptor: | 1-methyl-3-(N-methylcarbamimidoyl)urea, CHITINASE, CHLORIDE ION, ... | Authors: | Rush, C.L, Schuttelkopf, A.W, Hurtado-Guerrero, R, Blair, D.E, Ibrahim, A.F.M, Desvergnes, S, Eggleston, I.M, van Aalten, D.M.F. | Deposit date: | 2010-10-18 | Release date: | 2010-10-27 | Last modified: | 2019-01-23 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Natural Product-Guided Discovery of a Fungal Chitinase Inhibitor. Chem.Biol., 17, 2010
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1VR3
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![BU of 1vr3 by Molmil](/molmil-images/mine/1vr3) | |
5D2F
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![BU of 5d2f by Molmil](/molmil-images/mine/5d2f) | 4-oxalocrotonate decarboxylase from Pseudomonas putida G7 - apo form | Descriptor: | 1,2-ETHANEDIOL, 4-oxalocrotonate decarboxylase NahK, ACETATE ION, ... | Authors: | Guimaraes, S.L, Nagem, R.A.P. | Deposit date: | 2015-08-05 | Release date: | 2016-05-04 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (1.738 Å) | Cite: | Crystal Structures of Apo and Liganded 4-Oxalocrotonate Decarboxylase Uncover a Structural Basis for the Metal-Assisted Decarboxylation of a Vinylogous beta-Keto Acid. Biochemistry, 55, 2016
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5D2J
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![BU of 5d2j by Molmil](/molmil-images/mine/5d2j) | |
3B13
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![BU of 3b13 by Molmil](/molmil-images/mine/3b13) | Crystal structure of the DHR-2 domain of DOCK2 in complex with Rac1 (T17N mutant) | Descriptor: | Dedicator of cytokinesis protein 2, Ras-related C3 botulinum toxin substrate 1 | Authors: | Hanawa-Suetsugu, K, Kukimoto-Niino, M, Mishima-Tsumagari, C, Terada, T, Shirouzu, M, Fukui, Y, Yokoyama, S. | Deposit date: | 2011-06-24 | Release date: | 2012-03-14 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (3.006 Å) | Cite: | Structural basis for mutual relief of the Rac guanine nucleotide exchange factor DOCK2 and its partner ELMO1 from their autoinhibited forms. Proc.Natl.Acad.Sci.USA, 109, 2012
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2A06
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![BU of 2a06 by Molmil](/molmil-images/mine/2a06) | Bovine cytochrome bc1 complex with stigmatellin bound | Descriptor: | 1,2-dioleoyl-sn-glycero-3-phosphoethanolamine, AZIDE ION, CARDIOLIPIN, ... | Authors: | Huang, L.S, Cobessi, D, Tung, E.Y, Berry, E.A. | Deposit date: | 2005-06-16 | Release date: | 2005-06-21 | Last modified: | 2023-08-23 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Binding of the Respiratory Chain Inhibitor Antimycin to the Mitochondrial bc(1) Complex: A New Crystal Structure Reveals an Altered Intramolecular Hydrogen-bonding Pattern. J.Mol.Biol., 351, 2005
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2A70
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![BU of 2a70 by Molmil](/molmil-images/mine/2a70) | Crystal structure of Emp47p carbohydrate recognition domain (CRD), monoclinic crystal form 2 | Descriptor: | 1,2-ETHANEDIOL, Emp47p | Authors: | Satoh, T, Sato, K, Kanoh, A, Yamashita, K, Katoh, R, Nakano, A, Wakatsuki, S. | Deposit date: | 2005-07-04 | Release date: | 2006-01-31 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (1.1 Å) | Cite: | Structures of the carbohydrate recognition domain of Ca2+-independent cargo receptors Emp46p and Emp47p. J.Biol.Chem., 281, 2006
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