1K3S
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![BU of 1k3s by Molmil](/molmil-images/mine/1k3s) | Type III Secretion Chaperone SigE | Descriptor: | PHOSPHATE ION, SigE | Authors: | Bertero, M.G, Luo, Y, Frey, E.A, Pfuetzner, R.A, Wenk, M.R, Creagh, L, Marcus, S.L, Lim, D, Finlay, B.B, Strynadka, N.C.J. | Deposit date: | 2001-10-03 | Release date: | 2001-11-28 | Last modified: | 2016-05-25 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Structural and biochemical characterization of the type III secretion chaperones CesT and SigE. Nat.Struct.Biol., 8, 2001
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4JIZ
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![BU of 4jiz by Molmil](/molmil-images/mine/4jiz) | Human Mob1-phosphopeptide complex | Descriptor: | MOB kinase activator 1A, ZINC ION, phosphopeptide | Authors: | Stach, L, Ogrodowicz, R.W, Rock, J.M, Lim, D, Yaffe, M.B, Amon, A, Smerdon, S.J. | Deposit date: | 2013-03-07 | Release date: | 2013-04-17 | Last modified: | 2018-01-24 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Activation of the yeast Hippo pathway by phosphorylation-dependent assembly of signaling complexes. Science, 340, 2013
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2OLU
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![BU of 2olu by Molmil](/molmil-images/mine/2olu) | Structural Insight Into the Transglycosylation Step Of Bacterial Cell Wall Biosynthesis : Apoenzyme | Descriptor: | 1,2-ETHANEDIOL, Penicillin-binding protein 2 | Authors: | Lovering, A.L, De Castro, L.H, Lim, D, Strynadka, N.C. | Deposit date: | 2007-01-19 | Release date: | 2007-03-20 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (2.9 Å) | Cite: | Structural insight into the transglycosylation step of bacterial cell-wall biosynthesis. Science, 315, 2007
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2OLV
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![BU of 2olv by Molmil](/molmil-images/mine/2olv) | Structural Insight Into the Transglycosylation Step Of Bacterial Cell Wall Biosynthesis : Donor Ligand Complex | Descriptor: | MOENOMYCIN, Penicillin-binding protein 2 | Authors: | Lovering, A.L, De Castro, L, Lim, D, Strynadka, N.C.J. | Deposit date: | 2007-01-19 | Release date: | 2007-03-13 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Structural insight into the transglycosylation step of bacterial cell-wall biosynthesis. Science, 315, 2007
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3MQE
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![BU of 3mqe by Molmil](/molmil-images/mine/3mqe) | Structure of SC-75416 bound at the COX-2 active site | Descriptor: | (2S)-7-tert-butyl-6-chloro-2-(trifluoromethyl)-2H-chromene-3-carboxylic acid, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | Authors: | Wang, J.L, Limburg, D, Graneto, M.J, Springer, J, Rogier, J, Kiefer, J.R. | Deposit date: | 2010-04-28 | Release date: | 2010-10-27 | Last modified: | 2020-07-29 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | The novel benzopyran class of selective cyclooxygenase-2 inhibitors. Part 2: The second clinical candidate having a shorter and favorable human half-life. Bioorg.Med.Chem.Lett., 20, 2010
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3NTG
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![BU of 3ntg by Molmil](/molmil-images/mine/3ntg) | Crystal structure of COX-2 with selective compound 23d-(R) | Descriptor: | (2R)-6,8-dichloro-7-(2-methylpropoxy)-2-(trifluoromethyl)-2H-chromene-3-carboxylic acid, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | Authors: | Wang, J.L, Limburg, D, Graneto, M.J, Carter, J.C, Talley, J.J, Kiefer, J.R. | Deposit date: | 2010-07-04 | Release date: | 2010-10-27 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (2.19 Å) | Cite: | The novel benzopyran class of selective cyclooxygenase-2 inhibitors. Part 2: The second clinical candidate having a shorter and favorable human half-life. Bioorg.Med.Chem.Lett., 20, 2010
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1JAA
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![BU of 1jaa by Molmil](/molmil-images/mine/1jaa) | Solution structure of lactam analogue (DapE) of HIV gp41 600-612 loop. | Descriptor: | DapE : (Ace)IWG(Dap)SGKLIETTA ANALOGUE OF HIV GP41 | Authors: | Phan Chan Du, A, Limal, D, Semetey, V, Dali, H, Jolivet, M, Desgranges, C, Cung, M.T, Briand, J.P, Petit, M.C, Muller, S. | Deposit date: | 2001-05-30 | Release date: | 2003-07-01 | Last modified: | 2021-10-27 | Method: | SOLUTION NMR | Cite: | Structural and immunological characterisation of heteroclitic peptide analogues corresponding to the 600-612 region of the HIV envelope gp41 glycoprotein. J.Mol.Biol., 323, 2002
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1JC8
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![BU of 1jc8 by Molmil](/molmil-images/mine/1jc8) | Solution structure of lactam analogue (DDap) of gp41 600-612 loop of HIV | Descriptor: | DDap: (ACE)IWGDSGKLI(DNP)TTA ANALOGUE OF HIV GP41 | Authors: | Phan Chan Du, A, Limal, D, Semetey, V, Dali, H, Jolivet, M, Desgranges, C, Cung, M.T, Briand, J.P, Petit, M.C, Muller, S. | Deposit date: | 2001-06-08 | Release date: | 2003-07-01 | Last modified: | 2021-10-27 | Method: | SOLUTION NMR | Cite: | Structural and immunological characterisation of heteroclitic peptide analogues corresponding to the 600-612 region of the HIV envelope gp41 glycoprotein. J.Mol.Biol., 323, 2002
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1JCP
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![BU of 1jcp by Molmil](/molmil-images/mine/1jcp) | Solution structure of the lactam analogue EDap of HIV gp41 600-612 loop. | Descriptor: | Edap : ACE-Ile-Trp-Glu-Ser-Gly-Lys-Leu-Ile-Dap-Thr-Thr-Ala ANALOGUE OF HIV GP41 | Authors: | Phan Chan Du, A, Limal, D, Semetey, V, Dali, H, Jolivet, M, Desgranges, C, Cung, M.T, Briand, J.P, Petit, M.C, Muller, S. | Deposit date: | 2001-06-11 | Release date: | 2003-07-01 | Last modified: | 2021-10-27 | Method: | SOLUTION NMR | Cite: | Structural and immunological characterisation of heteroclitic peptide analogues corresponding to the 600-612 region of the HIV envelope gp41 glycoprotein. J.Mol.Biol., 323, 2002
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1J9V
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![BU of 1j9v by Molmil](/molmil-images/mine/1j9v) | Solution structure of a lactam analogue (DabD) of HIV gp41 600-612 loop. | Descriptor: | DabD (Ace)IWG(DAB)SGKLIDTTA ANALOGUE OF HIV GP41 | Authors: | Phan Chan Du, A, Limal, D, Semetey, V, Dali, H, Jolivet, M, Desgranges, C, Cung, M.T, Briand, J.P, Petit, M.C, Muller, S. | Deposit date: | 2001-05-29 | Release date: | 2003-07-01 | Last modified: | 2021-10-27 | Method: | SOLUTION NMR | Cite: | Structural and immunological characterisation of heteroclitic peptide analogues corresponding to the 600-612 region of the HIV envelope gp41 glycoprotein. J.Mol.Biol., 323, 2002
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1JD8
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![BU of 1jd8 by Molmil](/molmil-images/mine/1jd8) | Solution structure of lactam analogue DapD of HIV gp41 600-612 loop | Descriptor: | Transmembrane protein gp41 | Authors: | Phan Chan Du, A, Limal, D, Semetey, V, Dali, H, Jolivet, M, Desgranges, C, Cung, M.T, Briand, J.P, Petit, M.C, Muller, S. | Deposit date: | 2001-06-13 | Release date: | 2003-07-01 | Last modified: | 2018-10-10 | Method: | SOLUTION NMR | Cite: | Structural and immunological characterisation of heteroclitic peptide analogues corresponding to the 600-612 region of the HIV envelope gp41 glycoprotein. J.Mol.Biol., 323, 2002
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1JAR
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![BU of 1jar by Molmil](/molmil-images/mine/1jar) | Solution structure of lactam analogue (DDab)of HIV gp41 600-612 loop. | Descriptor: | DDab: (ACE)IWGDSGKLI(DAB)TTA ANALOGUE OF HIV GP41 | Authors: | Phan Chan Du, A, Limal, D, Semetey, V, Dali, H, Jolivet, M, Desgranges, C, Cung, M.T, Briand, J.P, Petit, M.C, Muller, S. | Deposit date: | 2001-05-31 | Release date: | 2003-07-01 | Last modified: | 2021-10-27 | Method: | SOLUTION NMR | Cite: | Structural and immunological characterisation of heteroclitic peptide analogues corresponding to the 600-612 region of the HIV envelope gp41 glycoprotein. J.Mol.Biol., 323, 2002
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1J8N
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![BU of 1j8n by Molmil](/molmil-images/mine/1j8n) | Solution structure of beta3-analogue peptide corresponding to the gp41 600-612 loop of HIV. | Descriptor: | HIV1 GP41 HSER analogue peptide Ace-Ile-Trp-Gly-Cys-beta3Ser-Gly-Lys-Leu-Ile-Cys-Thr-Thr-Ala | Authors: | Phan Chan Du, A, Limal, D, Semetey, V, Dali, H, Jolivet, M, Desgranges, C, Cung, M.T, Briand, J.P, Petit, M.C, Muller, S. | Deposit date: | 2001-05-22 | Release date: | 2003-07-01 | Last modified: | 2023-11-15 | Method: | SOLUTION NMR | Cite: | Structural and immunological characterisation of heteroclitic peptide analogues corresponding to the 600-612 region of the HIV envelope gp41 glycoprotein. J.Mol.Biol., 323, 2002
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1IM7
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![BU of 1im7 by Molmil](/molmil-images/mine/1im7) | Solution structure of synthetic cyclic peptide mimicking the loop of HIV-1 gp41 glycoprotein envelope | Descriptor: | GP41-PARENT PEPTIDE ACE-ILE-TRP-GLY-CYS-SER-GLY-LYS-LEU-ILE-CYS-THR-THR-ALA | Authors: | Phan Chan Du, A, Limal, D, Semetey, V, Dali, H, Jolivet, M, Desgranges, C, Cung, M.T, Briand, J.P, Petit, M.C, Muller, S. | Deposit date: | 2001-05-10 | Release date: | 2002-10-23 | Last modified: | 2022-02-23 | Method: | SOLUTION NMR | Cite: | Structural and immunological characterisation of heteroclitic peptide analogues corresponding to the 600-612 region of the HIV envelope gp41 glycoprotein. J.Mol.Biol., 323, 2002
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1JDK
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![BU of 1jdk by Molmil](/molmil-images/mine/1jdk) | solution structure of lactam analogue (EDap) of HIV gp41 600-612 loop. | Descriptor: | ACETYL GROUP | Authors: | Phan Chan Du, A, Limal, D, Semetey, V, Dali, H, Jolivet, M, Desgranges, C, Cung, M.T, Briand, J.P, Petit, M.C, Muller, S. | Deposit date: | 2001-06-14 | Release date: | 2003-07-01 | Last modified: | 2022-02-23 | Method: | SOLUTION NMR | Cite: | Structural and immunological characterisation of heteroclitic peptide analogues corresponding to the 600-612 region of the HIV envelope gp41 glycoprotein. J.Mol.Biol., 323, 2002
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1J8Z
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![BU of 1j8z by Molmil](/molmil-images/mine/1j8z) | Solution structure of beta3 analogue peptide (HCYS) of HIV gp41 600-612 loop. | Descriptor: | HCYS BETA3-CYS ANALOGUE OF HIV GP41 | Authors: | Phan Chan Du, A, Limal, D, Semetey, V, Dali, H, Jolivet, M, Desgranges, C, Cung, M.T, Briand, J.P, Petit, M.C, Muller, S. | Deposit date: | 2001-05-23 | Release date: | 2003-07-01 | Last modified: | 2023-11-15 | Method: | SOLUTION NMR | Cite: | Structural and immunological characterisation of heteroclitic peptide analogues corresponding to the 600-612 region of the HIV envelope gp41 glycoprotein. J.Mol.Biol., 323, 2002
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1YVX
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![BU of 1yvx by Molmil](/molmil-images/mine/1yvx) | Hepatitis C Virus RNA Polymerase Genotype 2a In Complex With Non- Nucleoside Analogue Inhibitor | Descriptor: | 3-[ISOPROPYL(4-METHYLBENZOYL)AMINO]-5-PHENYLTHIOPHENE-2-CARBOXYLIC ACID, RNA dependent RNA polymerase, SULFATE ION | Authors: | Biswal, B.K, Cherney, M.M, Wang, M, Chan, L, Yannopoulos, C.G, Bilimoria, D, Nicolas, O, Bedard, J, James, M.N.G. | Deposit date: | 2005-02-16 | Release date: | 2005-03-22 | Last modified: | 2011-07-13 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Crystal structures of the RNA dependent RNA polymerase genotype 2a of hepatitis C virus reveal two conformations and suggest mechanisms of inhibition by non-nucleoside inhibitors. J.Biol.Chem., 280, 2005
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1YV2
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![BU of 1yv2 by Molmil](/molmil-images/mine/1yv2) | Hepatitis C virus NS5B RNA-dependent RNA Polymerase genotype 2a | Descriptor: | GLYCEROL, RNA dependent RNA polymerase, SULFATE ION | Authors: | Biswal, B.K, Cherney, M.M, Wang, M, Chan, L, Yannopoulos, C.G, Bilimoria, D, Nicolas, O, Bedard, J, James, M.N.G. | Deposit date: | 2005-02-14 | Release date: | 2005-03-22 | Last modified: | 2011-07-13 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Crystal Structures of the RNA-dependent RNA Polymerase Genotype 2a of Hepatitis C Virus Reveal Two Conformations and Suggest Mechanisms of Inhibition by Non-nucleoside Inhibitors J.Biol.Chem., 280, 2005
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1YVZ
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![BU of 1yvz by Molmil](/molmil-images/mine/1yvz) | Hepatitis C Virus RNA Polymerase Genotype 2a In Complex With Non- Nucleoside Analogue Inhibitor | Descriptor: | 3-[(2,4-DICHLOROBENZOYL)(ISOPROPYL)AMINO]-5-PHENYLTHIOPHENE-2-CARBOXYLIC ACID, RNA dependent RNA polymerase, SULFATE ION | Authors: | Biswal, B.K, Cherney, M.M, Wang, M, Chan, L, Yannopoulos, C.G, Bilimoria, D, Nicolas, O, Bedard, J, James, M.N.G. | Deposit date: | 2005-02-16 | Release date: | 2005-03-22 | Last modified: | 2017-10-11 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Crystal structures of the RNA dependent RNA polymerase genotype 2a of hepatitis C virus reveal two conformations and suggest mechanisms of inhibition by non-nucleoside inhibitors. J.Biol.Chem., 280, 2005
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1YUY
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![BU of 1yuy by Molmil](/molmil-images/mine/1yuy) | HEPATITIS C VIRUS NS5B RNA-DEPENDENT RNA POLYMERASE GENOTYPE 2a | Descriptor: | RNA-Dependent RNA polymerase, SULFATE ION | Authors: | Biswal, B.K, Cherney, M.M, Wang, M, Chan, L, Yannopoulos, C.G, Bilimoria, D, Nicolas, O, Bedard, J, James, M.N.G. | Deposit date: | 2005-02-14 | Release date: | 2005-03-22 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Crystal structures of the RNA dependent RNA polymerase genotype 2a of hepatitis C virus reveal two conformations and suggest mechanisms of inhibition by non-nucleoside inhibitors. J.Biol.Chem., 280, 2005
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2D41
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![BU of 2d41 by Molmil](/molmil-images/mine/2d41) | X-ray crystal structure of hepatitis C virus RNA-dependent RNA polymerase in complex with non-nucleoside inhibitor | Descriptor: | 5'-ACETYL-4-{[(2,4-DIMETHYLPHENYL)SULFONYL]AMINO}-2,2'-BITHIOPHENE-5-CARBOXYLIC ACID, polyprotein | Authors: | Biswal, B.K, Wang, M, Cherney, M.M, Chan, L, Yannopoulos, C.G, Bilimoria, D, Bedard, J, James, M.N.G. | Deposit date: | 2005-10-05 | Release date: | 2006-08-01 | Last modified: | 2011-07-13 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Non-nucleoside Inhibitors Binding to Hepatitis C Virus NS5B Polymerase Reveal a Novel Mechanism of Inhibition J.Mol.Biol., 361, 2006
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2D3Z
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![BU of 2d3z by Molmil](/molmil-images/mine/2d3z) | X-ray crystal structure of hepatitis C virus RNA-dependent RNA polymerase in complex with non-nucleoside analogue inhibitor | Descriptor: | 5-(4-FLUOROPHENYL)-3-{[(4-METHYLPHENYL)SULFONYL]AMINO}THIOPHENE-2-CARBOXYLIC ACID, polyprotein | Authors: | Biswal, B.K, Wang, M, Cherney, M.M, Chan, L, Yannopoulos, C.G, Bilimoria, D, Bedard, J, James, M.N.G. | Deposit date: | 2005-10-04 | Release date: | 2006-08-01 | Last modified: | 2011-07-13 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Non-nucleoside Inhibitors Binding to Hepatitis C Virus NS5B Polymerase Reveal a Novel Mechanism of Inhibition J.Mol.Biol., 361, 2006
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2D3U
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![BU of 2d3u by Molmil](/molmil-images/mine/2d3u) | X-ray crystal structure of hepatitis C virus RNA dependent RNA polymerase in complex with non-nucleoside analogue inhibitor | Descriptor: | 5-(4-CYANOPHENYL)-3-{[(2-METHYLPHENYL)SULFONYL]AMINO}THIOPHENE-2-CARBOXYLIC ACID, polyprotein | Authors: | Biswal, B.K, Wang, M, Cherney, M.M, Chan, L, Yannopoulos, C.G, Bilimoria, D, Bedard, J, James, M.N.G. | Deposit date: | 2005-10-02 | Release date: | 2006-08-01 | Last modified: | 2017-10-11 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Non-nucleoside Inhibitors Binding to Hepatitis C Virus NS5B Polymerase Reveal a Novel Mechanism of Inhibition J.Mol.Biol., 361, 2006
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1MWT
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![BU of 1mwt by Molmil](/molmil-images/mine/1mwt) | |
1MWR
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![BU of 1mwr by Molmil](/molmil-images/mine/1mwr) | |