4YH4
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![BU of 4yh4 by Molmil](/molmil-images/mine/4yh4) | Crystal structure of human BRD4(1) in complex with 4-[(5-phenylpyridin-3-yl)carbonyl]-3,4-dihydroquinoxalin-2(1H)-one (compound 19d) | Descriptor: | 4-[(5-phenylpyridin-3-yl)carbonyl]-3,4-dihydroquinoxalin-2(1H)-one, Bromodomain-containing protein 4, GLYCEROL, ... | Authors: | Lakshminarasimhan, D, White, A, Suto, R.K. | Deposit date: | 2015-02-26 | Release date: | 2016-01-13 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (1.33 Å) | Cite: | Discovery of a new chemical series of BRD4(1) inhibitors using protein-ligand docking and structure-guided design. Bioorg.Med.Chem.Lett., 25, 2015
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1GD7
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![BU of 1gd7 by Molmil](/molmil-images/mine/1gd7) | CRYSTAL STRUCTURE OF A BIFUNCTIONAL PROTEIN (CSAA) WITH EXPORT-RELATED CHAPERONE AND TRNA-BINDING ACTIVITIES. | Descriptor: | CSAA PROTEIN | Authors: | Shibata, T, Inoue, Y, Vassylyev, D.G, Kawaguchi, S, Yokoyama, S, Muller, J, Linde, D, Kuramitsu, S, RIKEN Structural Genomics/Proteomics Initiative (RSGI) | Deposit date: | 2000-09-22 | Release date: | 2001-09-22 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | The crystal structure of the ttCsaA protein: an export-related chaperone from Thermus thermophilus. EMBO J., 20, 2001
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8GVH
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![BU of 8gvh by Molmil](/molmil-images/mine/8gvh) | Human AE2 in acidic KNO3 | Descriptor: | Anion exchange protein 2, CHOLESTEROL HEMISUCCINATE | Authors: | Zhang, Q, Jian, L, Yao, D, Rao, B, Hu, K, Xia, Y, Cao, Y. | Deposit date: | 2022-09-15 | Release date: | 2023-04-12 | Last modified: | 2024-06-19 | Method: | ELECTRON MICROSCOPY (3.32 Å) | Cite: | The structural basis of the pH-homeostasis mediated by the Cl - /HCO 3 - exchanger, AE2. Nat Commun, 14, 2023
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6OPI
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![BU of 6opi by Molmil](/molmil-images/mine/6opi) | phosphorylated ERK2 with SCH-CPD336 | Descriptor: | (3R)-N-[3-(2-cyclopropylpyridin-4-yl)-1H-indazol-5-yl]-3-(methoxymethyl)-1-(2-oxo-2-{4-[4-(pyrimidin-2-yl)phenyl]-3,6-dihydropyridin-1(2H)-yl}ethyl)pyrrolidine-3-carboxamide, Mitogen-activated protein kinase 1 | Authors: | Vigers, G.P, Smith, D. | Deposit date: | 2019-04-25 | Release date: | 2019-07-31 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (3 Å) | Cite: | Activation loop dynamics are controlled by conformation-selective inhibitors of ERK2. Proc.Natl.Acad.Sci.USA, 116, 2019
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1GKU
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![BU of 1gku by Molmil](/molmil-images/mine/1gku) | |
1GLA
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![BU of 1gla by Molmil](/molmil-images/mine/1gla) | STRUCTURE OF THE REGULATORY COMPLEX OF ESCHERICHIA COLI IIIGLC WITH GLYCEROL KINASE | Descriptor: | GLUCOSE-SPECIFIC PROTEIN IIIGlc, GLYCEROL, GLYCEROL KINASE | Authors: | Hurley, J.H, Worthylake, D, Faber, H.R, Meadow, N.D, Roseman, S, Pettigrew, D.W, Remington, S.J. | Deposit date: | 1992-10-28 | Release date: | 1993-10-31 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | Structure of the regulatory complex of Escherichia coli IIIGlc with glycerol kinase. Science, 259, 1993
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3Q29
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![BU of 3q29 by Molmil](/molmil-images/mine/3q29) | Cyrstal structure of human alpha-synuclein (1-19) fused to maltose binding protein (MBP) | Descriptor: | GLYCEROL, Maltose-binding periplasmic protein/alpha-synuclein chimeric protein, SULFATE ION, ... | Authors: | Zhao, M, Sawaya, M.R, Cascio, D, Eisenberg, D. | Deposit date: | 2010-12-19 | Release date: | 2011-06-01 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Structures of segments of alpha-synuclein fused to maltose-binding protein suggest intermediate states during amyloid formation Protein Sci., 20, 2011
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1FWY
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![BU of 1fwy by Molmil](/molmil-images/mine/1fwy) | CRYSTAL STRUCTURE OF N-ACETYLGLUCOSAMINE 1-PHOSPHATE URIDYLTRANSFERASE BOUND TO UDP-GLCNAC | Descriptor: | 1,2-ETHANEDIOL, SULFATE ION, UDP-N-ACETYLGLUCOSAMINE PYROPHOSPHORYLASE, ... | Authors: | Brown, K, Pompeo, F, Dixon, S, Mengin-Lecreulx, D, Cambillau, C, Bourne, Y. | Deposit date: | 2000-09-25 | Release date: | 2000-10-18 | Last modified: | 2011-07-13 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Crystal structure of the bifunctional N-acetylglucosamine 1-phosphate uridyltransferase from Escherichia coli: a paradigm for the related pyrophosphorylase superfamily. EMBO J., 18, 1999
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3Q26
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![BU of 3q26 by Molmil](/molmil-images/mine/3q26) | Cyrstal structure of human alpha-synuclein (10-42) fused to maltose binding protein (MBP) | Descriptor: | GLYCEROL, Maltose-binding periplasmic protein/alpha-synuclein chimeric protein, SULFATE ION, ... | Authors: | Zhao, M, Sawaya, M.R, Cascio, D, Eisenberg, D. | Deposit date: | 2010-12-19 | Release date: | 2011-06-01 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (1.54 Å) | Cite: | Structures of segments of alpha-synuclein fused to maltose-binding protein suggest intermediate states during amyloid formation Protein Sci., 20, 2011
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6OQ2
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![BU of 6oq2 by Molmil](/molmil-images/mine/6oq2) | |
6FF4
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![BU of 6ff4 by Molmil](/molmil-images/mine/6ff4) | human Bact spliceosome core structure | Descriptor: | 116 kDa U5 small nuclear ribonucleoprotein component, BUD13 homolog, Cell division cycle 5-like protein, ... | Authors: | Haselbach, D, Komarov, I, Agafonov, D, Hartmuth, K, Graf, B, Kastner, B, Luehrmann, R, Stark, H. | Deposit date: | 2018-01-03 | Release date: | 2018-08-29 | Last modified: | 2020-10-07 | Method: | ELECTRON MICROSCOPY (3.4 Å) | Cite: | Structure and Conformational Dynamics of the Human Spliceosomal BactComplex. Cell, 172, 2018
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1FY8
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![BU of 1fy8 by Molmil](/molmil-images/mine/1fy8) | CRYSTAL STRUCTURE OF THE DELTAILE16VAL17 RAT ANIONIC TRYPSINOGEN-BPTI COMPLEX | Descriptor: | CALCIUM ION, PANCREATIC TRYPSIN INHIBITOR, SULFATE ION, ... | Authors: | Pasternak, A, White, A, Jeffery, C.J, Ringe, D, Hedstrom, L. | Deposit date: | 2000-09-28 | Release date: | 2000-11-08 | Last modified: | 2017-10-04 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | The energetic cost of induced fit catalysis: Crystal structures of trypsinogen mutants with enhanced activity and inhibitor affinity. Protein Sci., 10, 2001
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1UKM
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![BU of 1ukm by Molmil](/molmil-images/mine/1ukm) | Crystal structure of EMS16, an Antagonist of collagen receptor integrin alpha2beta1 (GPIa/IIa) | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, CHLORIDE ION, EMS16 A chain, ... | Authors: | Horii, K, Okuda, D, Morita, T, Mizuno, H. | Deposit date: | 2003-08-27 | Release date: | 2003-11-04 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Structural characterization of EMS16, an Antagonist of collagen receptor (GPIa/IIa) from the venom of Echis multisquamatus Biochemistry, 42, 2003
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1G1G
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![BU of 1g1g by Molmil](/molmil-images/mine/1g1g) | CRYSTAL STRUCTURE OF PROTEIN TYROSINE PHOSPHATASE 1B COMPLEXED WITH A MONO-PHOSPHORYLATED PEPTIDE (ETDY(PTR)RKGGKGLL) FROM THE INSULIN RECEPTOR KINASE | Descriptor: | MONO-PHOSPHORYLATED PEPTIDE FROM THE INSULIN RECEPTOR KINASE, PROTEIN TYROSINE PHOSPHATASE 1B | Authors: | Salmeen, A, Andersen, J.N, Myers, M.P, Tonks, N.K, Barford, D. | Deposit date: | 2000-10-11 | Release date: | 2001-01-17 | Last modified: | 2021-11-03 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Molecular basis for the dephosphorylation of the activation segment of the insulin receptor by protein tyrosine phosphatase 1B. Mol.Cell, 6, 2000
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1G26
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![BU of 1g26 by Molmil](/molmil-images/mine/1g26) | |
6OTX
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![BU of 6otx by Molmil](/molmil-images/mine/6otx) | Crystallographic Structure of (HbII-HbIII)-O2 from Lucina pectinata at pH 7.0 | Descriptor: | Hemoglobin II, Hemoglobin III, OXYGEN MOLECULE, ... | Authors: | Marchany-Rivera, D, Smith, C.A, Rodriguez-Perez, J.D, Lopez-Garriga, J. | Deposit date: | 2019-05-03 | Release date: | 2020-04-01 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (2.539 Å) | Cite: | Lucina pectinata oxyhemoglobin (II-III) heterodimer pH susceptibility. J.Inorg.Biochem., 207, 2020
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4YTM
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![BU of 4ytm by Molmil](/molmil-images/mine/4ytm) | Crystal structure of Mitochondrial rhodoquinol-fumarate reductase from Ascaris suum with N-biphenyl-3-yl-2-(trifluoromethyl)benzamide | Descriptor: | Cytochrome b-large subunit, FE2/S2 (INORGANIC) CLUSTER, FE3-S4 CLUSTER, ... | Authors: | Harada, S, Shiba, T, Sato, D, Yamamoto, A, Nagahama, M, Yone, A, Inaoka, D.K, Sakamoto, K, Inoue, M, Honma, T, Kita, K. | Deposit date: | 2015-03-18 | Release date: | 2015-08-05 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (3.4 Å) | Cite: | Structural Insights into the Molecular Design of Flutolanil Derivatives Targeted for Fumarate Respiration of Parasite Mitochondria Int J Mol Sci, 16, 2015
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1G3J
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![BU of 1g3j by Molmil](/molmil-images/mine/1g3j) | CRYSTAL STRUCTURE OF THE XTCF3-CBD/BETA-CATENIN ARMADILLO REPEAT COMPLEX | Descriptor: | BETA-CATENIN ARMADILLO REPEAT REGION, TCF3-CBD (CATENIN BINDING DOMAIN) | Authors: | Graham, T.A, Weaver, C, Mao, F, Kimelman, D, Xu, W. | Deposit date: | 2000-10-24 | Release date: | 2000-12-11 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Crystal structure of a beta-catenin/Tcf complex. Cell(Cambridge,Mass.), 103, 2000
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6OI2
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![BU of 6oi2 by Molmil](/molmil-images/mine/6oi2) | Crystal structure of human WDR5 in complex with symmetric dimethyl-L-arginine | Descriptor: | GLYCEROL, N3, N4-DIMETHYLARGININE, ... | Authors: | Lorton, B.M, Harijan, R.K, Burgos, E, Bonanno, J.B, Almo, S.C, Shechter, D. | Deposit date: | 2019-04-08 | Release date: | 2020-04-01 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (1.68 Å) | Cite: | A Binary Arginine Methylation Switch on Histone H3 Arginine 2 Regulates Its Interaction with WDR5. Biochemistry, 59, 2020
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1G7K
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![BU of 1g7k by Molmil](/molmil-images/mine/1g7k) | CRYSTAL STRUCTURE OF DSRED, A RED FLUORESCENT PROTEIN FROM DISCOSOMA SP. RED | Descriptor: | FLUORESCENT PROTEIN FP583 | Authors: | Yarbrough, D, Wachter, R.M, Kallio, K, Matz, M.V, Remington, S.J. | Deposit date: | 2000-11-10 | Release date: | 2000-12-06 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Refined crystal structure of DsRed, a red fluorescent protein from coral, at 2.0-A resolution. Proc.Natl.Acad.Sci.USA, 98, 2001
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1RYX
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![BU of 1ryx by Molmil](/molmil-images/mine/1ryx) | |
1GA9
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![BU of 1ga9 by Molmil](/molmil-images/mine/1ga9) | CRYSTAL STRUCTURE OF AMPC BETA-LACTAMASE FROM E. COLI COMPLEXED WITH NON-BETA-LACTAMASE INHIBITOR (2, 3-(4-BENZENESULFONYL-THIOPHENE-2-SULFONYLAMINO)-PHENYLBORONIC ACID) | Descriptor: | 3-(4-BENZENESULFONYL-THIOPHENE-2-SULFONYLAMINO)-PHENYLBORONIC ACID, BETA-LACTAMASE, PHOSPHATE ION, ... | Authors: | Tondi, D, Powers, R.A, Caselli, E, Negri, M.C, Blazquez, J, Costi, M.P, Shoichet, B.K. | Deposit date: | 2000-11-29 | Release date: | 2001-07-25 | Last modified: | 2023-08-09 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Structure-based design and in-parallel synthesis of inhibitors of AmpC beta-lactamase. Chem.Biol., 8, 2001
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4YB9
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![BU of 4yb9 by Molmil](/molmil-images/mine/4yb9) | Crystal structure of the Bovine Fructose transporter GLUT5 in an open inward-facing conformation | Descriptor: | Solute carrier family 2, facilitated glucose transporter member 5 | Authors: | Verdon, G, Kang, H.J, Iwata, S, Drew, D. | Deposit date: | 2015-02-18 | Release date: | 2015-10-14 | Last modified: | 2024-05-01 | Method: | X-RAY DIFFRACTION (3.2 Å) | Cite: | Structure and mechanism of the mammalian fructose transporter GLUT5. Nature, 526, 2015
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1G7G
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![BU of 1g7g by Molmil](/molmil-images/mine/1g7g) | HUMAN PTP1B CATALYTIC DOMAIN COMPLEXES WITH PNU179326 | Descriptor: | 2-(CARBOXYMETHOXY)-5-[(2S)-2-({(2S)-2-[(3-CARBOXYPROPANOYL)AMINO] -3-PHENYLPROPANOYL}AMINO)-3-OXO-3-(PENTYLAMINO)PROPYL]BENZOIC ACID, PROTEIN-TYROSINE PHOSPHATASE, NON-RECEPTOR TYPE 1 | Authors: | Bleasdale, J.E, Ogg, D, Larsen, S.D. | Deposit date: | 2000-11-10 | Release date: | 2001-06-06 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Small molecule peptidomimetics containing a novel phosphotyrosine bioisostere inhibit protein tyrosine phosphatase 1B and augment insulin action. Biochemistry, 40, 2001
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6Q7F
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![BU of 6q7f by Molmil](/molmil-images/mine/6q7f) | Crystal Structure of Ephrin A2 (EphA2) Receptor Protein Kinase with the NVP-BHG712 derivative ATDL18 | Descriptor: | 3-[(4-imidazol-1-yl-6-piperazin-1-yl-1,3,5-triazin-2-yl)amino]-4-methyl-~{N}-[3-(trifluoromethyl)phenyl]benzamide, Ephrin type-A receptor 2 | Authors: | Kudlinzki, D, Troester, A, Witt, K, Linhard, V.L, Gande, S.L, Saxena, K, Schwalbe, H. | Deposit date: | 2018-12-13 | Release date: | 2020-01-15 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.204 Å) | Cite: | Effects of NVP-BHG712 chemical modifications on EPHA2 binding and affinity To Be Published
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