2XSZ
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![BU of 2xsz by Molmil](/molmil-images/mine/2xsz) | The dodecameric human RuvBL1:RuvBL2 complex with truncated domains II | Descriptor: | ADENOSINE-5'-TRIPHOSPHATE, RUVB-LIKE 1, RUVB-LIKE 2 | Authors: | Gorynia, S, Bandeiras, T.M, Matias, P.M, Pinho, F.G, McVey, C.E, Vonrhein, C, Svergun, D.I, Round, A, Donner, P, Carrondo, M.A. | Deposit date: | 2010-10-01 | Release date: | 2011-10-05 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (3 Å) | Cite: | Structural and Functional Insights Into a Dodecameric Molecular Machine - the Ruvbl1/Ruvbl2 Complex. J.Struct.Biol., 176, 2011
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4V7O
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![BU of 4v7o by Molmil](/molmil-images/mine/4v7o) | Proteasome Activator Complex | Descriptor: | Proteasome activator BLM10, Proteasome component C1, Proteasome component C11, ... | Authors: | Hill, C.P, Whitby, F.G. | Deposit date: | 2009-12-22 | Release date: | 2014-07-09 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (3.005 Å) | Cite: | Structure of a Blm10 complex reveals common mechanisms for proteasome binding and gate opening. Mol.Cell, 37, 2010
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3UPI
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![BU of 3upi by Molmil](/molmil-images/mine/3upi) | Synthesis of novel 4,5-dihydrofurano indoles and their evaluation as HCV NS5B polymerase inhibitors | Descriptor: | (3S)-6-(2,5-difluorobenzyl)-3-methyl-N-(methylsulfonyl)-8-(2-oxo-1,2-dihydropyridin-3-yl)-3,6-dihydro-2H-furo[2,3-e]indole-7-carboxamide, PHOSPHATE ION, RNA-directed RNA polymerase | Authors: | Velazquez, F, Venkataraman, S, Lesburg, C.A, Duca, J.S, Rosenblum, S.B, Kozlowski, J.A, Njoroge, F.G. | Deposit date: | 2011-11-18 | Release date: | 2012-01-25 | Last modified: | 2012-02-01 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Synthesis of New 4,5-Dihydrofuranoindoles and Their Evaluation as HCV NS5B Polymerase Inhibitors. Org.Lett., 14, 2012
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1N12
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![BU of 1n12 by Molmil](/molmil-images/mine/1n12) | Crystal structure of the PapE (N-terminal-deleted) pilus subunit bound to a peptide corresponding to the N-terminal extension of the PapK pilus subunit (residues 1-11) from uropathogenic E. coli | Descriptor: | Peptide corresponding to the N-terminal extension of protein PapK, mature Fimbrial protein PapE | Authors: | Sauer, F.G, Pinkner, J.S, Waksman, G, Hultgren, S.J. | Deposit date: | 2002-10-16 | Release date: | 2002-12-11 | Last modified: | 2011-07-13 | Method: | X-RAY DIFFRACTION (1.87 Å) | Cite: | Chaperone priming of pilus subunits facilitates a topological transition that drives fiber formation Cell(Cambridge,Mass.), 111, 2002
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6ARH
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![BU of 6arh by Molmil](/molmil-images/mine/6arh) | |
3UPH
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![BU of 3uph by Molmil](/molmil-images/mine/3uph) | Synthesis of novel 4,5-dihydrofurano indoles and their evaluation as HCV NS5B polymerase inhibitors | Descriptor: | 6-(2,5-difluorobenzyl)-N-(methylsulfonyl)-8-(2-oxo-1,2-dihydropyridin-3-yl)-3,6-dihydro-2H-furo[2,3-e]indole-7-carboxamide, PHOSPHATE ION, RNA-directed RNA polymerase | Authors: | Velazquez, F, Venkataraman, S, Lesburg, C.A, Duca, J.S, Rosenblum, S.B, Kozlowski, J.A, Njoroge, F.G. | Deposit date: | 2011-11-18 | Release date: | 2012-01-25 | Last modified: | 2012-02-01 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Synthesis of New 4,5-Dihydrofuranoindoles and Their Evaluation as HCV NS5B Polymerase Inhibitors. Org.Lett., 14, 2012
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7RCL
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![BU of 7rcl by Molmil](/molmil-images/mine/7rcl) | Crystal Structure of ADP-bound Galactokinase | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, Galactokinase, MAGNESIUM ION, ... | Authors: | Whitby, F.G, Hall, M.D. | Deposit date: | 2021-07-07 | Release date: | 2021-09-29 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Structure-Based Optimization of Small Molecule Human Galactokinase Inhibitors. J.Med.Chem., 64, 2021
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7RCM
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![BU of 7rcm by Molmil](/molmil-images/mine/7rcm) | Crystal Structure of ADP-bound Galactokinase | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, GLYCEROL, Galactokinase, ... | Authors: | Whitby, F.G. | Deposit date: | 2021-07-07 | Release date: | 2021-09-29 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Structure-Based Optimization of Small Molecule Human Galactokinase Inhibitors. J.Med.Chem., 64, 2021
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8UC6
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![BU of 8uc6 by Molmil](/molmil-images/mine/8uc6) | Calpain-7:IST1 Complex | Descriptor: | Calpain-7, IST1 homolog | Authors: | Paine, E, Whitby, F.G, Hill, C.P, Sunquist, W.I. | Deposit date: | 2023-09-25 | Release date: | 2023-10-25 | Last modified: | 2024-05-15 | Method: | X-RAY DIFFRACTION (2.701 Å) | Cite: | The Calpain-7 protease functions together with the ESCRT-III protein IST1 within the midbody to regulate the timing and completion of abscission. Elife, 12, 2023
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5VKO
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![BU of 5vko by Molmil](/molmil-images/mine/5vko) | SPT6 tSH2-RPB1 1468-1500 pT1471, pS1493 | Descriptor: | DNA-directed RNA polymerase II subunit RPB1, ISOPROPYL ALCOHOL, Transcription elongation factor SPT6 | Authors: | Sdano, M.A, Whitby, F.G, Hill, C.P. | Deposit date: | 2017-04-21 | Release date: | 2017-09-20 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | A novel SH2 recognition mechanism recruits Spt6 to the doubly phosphorylated RNA polymerase II linker at sites of transcription. Elife, 6, 2017
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5VKL
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![BU of 5vkl by Molmil](/molmil-images/mine/5vkl) | SPT6 tSH2-RPB1 1476-1500 pS1493 | Descriptor: | DNA-directed RNA polymerase II subunit RPB1, Transcription elongation factor SPT6 | Authors: | Sdano, M.A, Whitby, F.G, Hill, C.P. | Deposit date: | 2017-04-21 | Release date: | 2017-10-25 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (2.198 Å) | Cite: | A novel SH2 recognition mechanism recruits Spt6 to the doubly phosphorylated RNA polymerase II linker at sites of transcription. Elife, 6, 2017
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1B2M
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![BU of 1b2m by Molmil](/molmil-images/mine/1b2m) | THREE-DIMENSIONAL STRUCTURE OF RIBONULCEASE T1 COMPLEXED WITH AN ISOSTERIC PHOSPHONATE ANALOGUE OF GPU: ALTERNATE SUBSTRATE BINDING MODES AND CATALYSIS. | Descriptor: | 5'-R(*GP*(U34))-3', RIBONUCLEASE T1 | Authors: | Arni, R.K, Watanabe, L, Ward, R.J, Kreitman, R.J, Kumar, K, Walz Jr, F.G. | Deposit date: | 1998-11-27 | Release date: | 1999-03-25 | Last modified: | 2023-08-09 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Three-dimensional structure of ribonuclease T1 complexed with an isosteric phosphonate substrate analogue of GpU: alternate substrate binding modes and catalysis. Biochemistry, 38, 1999
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2GVF
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![BU of 2gvf by Molmil](/molmil-images/mine/2gvf) | HCV NS3-4A protease domain complexed with a macrocyclic ketoamide inhibitor, SCH419021 | Descriptor: | (6R,8S,11S)-11-CYCLOHEXYL-N-(1-{[(2-{[(1S)-2-(DIMETHYLAMINO)-2-OXO-1-PHENYLETHYL]AMINO}-2-OXOETHYL)AMINO](OXO)ACETYL}BUTYL)-10,13-DIOXO-2,5-DIOXA-9,12-DIAZATRICYCLO[14.3.1.1~6,9~]HENICOSA-1(20),16,18-TRIENE-8-CARBOXAMIDE, Polyprotein, ZINC ION, ... | Authors: | Arasappan, A, Njoroge, F.G, Chen, K.X, Venkatraman, S, Parekh, T.N, Gu, H, Pichardo, J, Butkiewicz, N, Prongay, A, Madison, V, Girijavallabhan, V. | Deposit date: | 2006-05-02 | Release date: | 2007-01-23 | Last modified: | 2011-07-13 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | P2-P4 macrocyclic inhibitors of hepatitis C virus NS3-4A serine protease. Bioorg.Med.Chem.Lett., 16, 2006
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7P3U
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![BU of 7p3u by Molmil](/molmil-images/mine/7p3u) | Chitin-active fungal AA11 LPMO | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Endoglucanase, putative | Authors: | Rohr, A.K, Stoepamo, F.G, Eijsink, V.G.H. | Deposit date: | 2021-07-08 | Release date: | 2022-07-20 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | Characterization of a lytic polysaccharide monooxygenase from Aspergillus fumigatus shows functional variation among family AA11 fungal LPMOs. J.Biol.Chem., 297, 2021
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4FQ9
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![BU of 4fq9 by Molmil](/molmil-images/mine/4fq9) | Crystal Structure of 3-hydroxydecanoyl-Acyl Carrier Protein Dehydratase (FabA) from Pseudomonas aeruginosa | Descriptor: | 3-hydroxydecanoyl-[acyl-carrier-protein] dehydratase, GLYCEROL, PHOSPHATE ION | Authors: | Moynie, L, Mcmahon, S.A, Duthie, F.G, Naismith, J.H. | Deposit date: | 2012-06-25 | Release date: | 2013-03-27 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (2.02 Å) | Cite: | Structural insights into the mechanism and inhibition of the beta-hydroxydecanoyl-acyl carrier protein dehydratase from Pseudomonas aeruginosa J.Mol.Biol., 425, 2013
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7S49
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![BU of 7s49 by Molmil](/molmil-images/mine/7s49) | Crystal Structure of Inhibitor-bound Galactokinase | Descriptor: | (4R)-2-[(1,3-benzoxazol-2-yl)amino]-4-(4-chloro-1H-pyrazol-5-yl)-4,6,7,8-tetrahydroquinazolin-5(1H)-one, Galactokinase, PHOSPHATE ION, ... | Authors: | Whitby, F.G. | Deposit date: | 2021-09-08 | Release date: | 2021-09-29 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Structure-Based Optimization of Small Molecule Human Galactokinase Inhibitors. J.Med.Chem., 64, 2021
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7S4C
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![BU of 7s4c by Molmil](/molmil-images/mine/7s4c) | Crystal Structure of Inhibitor-bound Galactokinase | Descriptor: | 2-({(4R)-4-(2-chlorophenyl)-2-[(6-fluoro-1,3-benzoxazol-2-yl)amino]-6-methyl-1,4-dihydropyrimidine-5-carbonyl}amino)pyridine-4-carboxylic acid, Galactokinase, PHOSPHATE ION, ... | Authors: | Whitby, F.G. | Deposit date: | 2021-09-08 | Release date: | 2021-09-29 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Structure-Based Optimization of Small Molecule Human Galactokinase Inhibitors. J.Med.Chem., 64, 2021
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7SMU
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![BU of 7smu by Molmil](/molmil-images/mine/7smu) | Crystal Structure of Consomatin-Ro1 | Descriptor: | 3,6,9,12,15,18,21,24,27,30,33,36,39,42,45-pentadecaoxaoctatetracontane-1,48-diol, Consomatin-Ro1 | Authors: | Ramiro, I.B.L, Whitby, F.G, Hill, C.P, Safavi-Hemami, H, Concepcion, G.P, Olivera, B.M. | Deposit date: | 2021-10-26 | Release date: | 2022-04-13 | Method: | X-RAY DIFFRACTION (1.95 Å) | Cite: | Somatostatin venom analogs evolved by fish-hunting cone snails: From prey capture behavior to identifying drug leads. Sci Adv, 8, 2022
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2F9U
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![BU of 2f9u by Molmil](/molmil-images/mine/2f9u) | HCV NS3 protease domain with NS4a peptide and a ketoamide inhibitor with a P2 norborane | Descriptor: | 1,1-DIMETHYLETHYL [1-CYCLOHEXYL-2-[3-[[[1-[2-[[2-[[2-(DIMETHYLAMINO)-2-OXO-1-PHENYLETHYL]AMINO]-2-OXOETHYL]AMINO]-1,2-DIOXOETHYL]PENTYL]AMINO]CARBONYL]-2-AZABICYCLO[2.2.1]HEPTAN-2-YL]-2-OXOETHYL]CARBAMATE, NS3 protease/helicase', ZINC ION, ... | Authors: | Venkatraman, S, Njoroge, F.G, Wu, W, Girijavallabhan, V, Prongay, A.J, Butkiewicz, N, Pichardo, J. | Deposit date: | 2005-12-06 | Release date: | 2006-06-06 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | Novel Inhibitors of Hepatitis C NS3-NS4A Serine Protease Derived from 2-Aza-bicyclo[2.2.1]heptane-3-carboxylic acid. Bioorg.Med.Chem.Lett., 16, 2006
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2F9V
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![BU of 2f9v by Molmil](/molmil-images/mine/2f9v) | HCV NS3 protease domain with NS4a peptide and a ketoamide inhibitor with P1 and P2 cyclopropylalannines | Descriptor: | (2S,8R,9S,15S)-15-CYCLOHEXYL-9,12-BIS(CYCLOPROPYLMETHYL)-8-HYDROXY-20-METHYL-4,7,11,14,17-PENTAOXO-2-PHENYL-18-OXA-3,6,10,12,13,16-HEXAAZAHENICOSAN-1-OIC ACID, NS3 protease/helicase, ZINC ION, ... | Authors: | Bogen, S.L, Ruan, S, Liu, R, Agrawal, S, Pichardo, J, Prongay, A, Baroudy, B, Saksena, A, Girijavallabhan, V, Njoroge, F.G. | Deposit date: | 2005-12-06 | Release date: | 2007-01-09 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | Depeptidization efforts on P3-P2 a-ketoamide inhibitors of HCV NS3-4A serine protease: Effect on HCV replicon activity. Bioorg.Med.Chem.Lett., 16, 2006
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1C1G
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![BU of 1c1g by Molmil](/molmil-images/mine/1c1g) | |
3GVW
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![BU of 3gvw by Molmil](/molmil-images/mine/3gvw) | Single-chain UROD F217Y (YF) mutation | Descriptor: | Uroporphyrinogen decarboxylase | Authors: | Hill, C.P, Phillips, J.D, Whitby, F.G, Warby, C, Kushner, J.P. | Deposit date: | 2009-03-31 | Release date: | 2009-12-22 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Substrate shuttling between active sites of uroporphyrinogen decarboxylase is not required to generate coproporphyrinogen. J.Mol.Biol., 389, 2009
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3GVR
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![BU of 3gvr by Molmil](/molmil-images/mine/3gvr) | |
7JX4
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![BU of 7jx4 by Molmil](/molmil-images/mine/7jx4) | Crystal Structure of N-Lysine Peptoid-modified Collagen Triple Helix | Descriptor: | Collagen mimetic peptide with N-Lysine guest | Authors: | Yu, M.S, Whitby, F.G, Hill, C.P, Kessler, J.L, Yang, L.D. | Deposit date: | 2020-08-26 | Release date: | 2021-07-21 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (0.95 Å) | Cite: | Peptoid Residues Make Diverse, Hyperstable Collagen Triple-Helices. J.Am.Chem.Soc., 143, 2021
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7JX5
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![BU of 7jx5 by Molmil](/molmil-images/mine/7jx5) | Crystal Structure of N-Phenylalanine Peptoid-modified Collagen Triple Helix | Descriptor: | Collagen mimetic peptide with N-Phenylalanine guest | Authors: | Yu, M.S, Whitby, F.G, Hill, C.P, Kessler, J.L, Yang, L.D. | Deposit date: | 2020-08-26 | Release date: | 2021-07-21 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (1.1 Å) | Cite: | Peptoid Residues Make Diverse, Hyperstable Collagen Triple-Helices J.Am.Chem.Soc., 143, 2021
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