PDB: 17012 resultsInfo pagesStatus searchChemie searchBIRD

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3DAU	Crystal structure of the ternary MTX NADPH complex of Escherichia coli dihydrofolate reductase Descriptor: Dihydrofolate reductase, METHOTREXATE, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE Authors: Bennett, B.C, Dealwis, C.G. Deposit date: 2008-05-30 Release date: 2009-04-14 Last modified: 2023-08-30 Method: X-RAY DIFFRACTION (1.5 Å) Cite: X-ray structure of the ternary MTX.NADPH complex of the anthrax dihydrofolate reductase: a pharmacophore for dual-site inhibitor design. J.Struct.Biol., 166, 2009
3H6I	Crystal Structure of Mycobacterium Tuberculosis Proteasome Modified by inhibitor GL1 Descriptor: DIMETHYLFORMAMIDE, Proteasome (Alpha subunit) PrcA, Proteasome (Beta subunit) PrcB Authors: Li, D, Li, H, Lin, G. Deposit date: 2009-04-23 Release date: 2009-09-15 Last modified: 2023-11-22 Method: X-RAY DIFFRACTION (2.43 Å) Cite: Inhibitors selective for mycobacterial versus human proteasomes. Nature, 461, 2009
3GMV	Crystal Structure of Beta-Lactamse Inhibitory Protein-I (BLIP-I) in Apo Form Descriptor: Beta-lactamase inhibitory protein BLIP-I, TRIS(HYDROXYETHYL)AMINOMETHANE Authors: Lim, D.C, Gretes, M, Strynadka, N.C.J. Deposit date: 2009-03-15 Release date: 2009-03-31 Last modified: 2017-11-01 Method: X-RAY DIFFRACTION (1.8 Å) Cite: Insights into positive and negative requirements for protein-protein interactions by crystallographic analysis of the beta-lactamase inhibitory proteins BLIP, BLIP-I, and BLP. J.Mol.Biol., 389, 2009
3GVR	Single-chain UROD Y164G (GY) mutation Descriptor: Uroporphyrinogen decarboxylase Authors: Hill, C.P, Phillips, J.D, Whitby, F.G, Warby, C. Deposit date: 2009-03-31 Release date: 2009-07-07 Last modified: 2024-02-21 Method: X-RAY DIFFRACTION (2.2 Å) Cite: Substrate shuttling between active sites of uroporphyrinogen decarboxylase is not required to generate coproporphyrinogen. J.Mol.Biol., 389, 2009
3H6C	Crystal structure of human alpha-defensin 1 (Mutant Gln22Ala) Descriptor: CHLORIDE ION, DI(HYDROXYETHYL)ETHER, Neutrophil defensin 1 Authors: Pazgier, M, Lu, W. Deposit date: 2009-04-23 Release date: 2010-03-09 Last modified: 2021-10-27 Method: X-RAY DIFFRACTION (1.63 Å) Cite: Trp-26 imparts functional versatility to human alpha-defensin HNP1. J.Biol.Chem., 285, 2010
3HFA	Crystal Structure of Mycobacterium Tuberculosis Proteasome open-gate mutant Descriptor: DIMETHYLFORMAMIDE, Proteasome (Alpha subunit) PrcA, Proteasome (Beta subunit) PrcB Authors: Li, D, Li, H. Deposit date: 2009-05-11 Release date: 2009-09-15 Last modified: 2023-11-29 Method: X-RAY DIFFRACTION (2.504 Å) Cite: Inhibitors selective for mycobacterial versus human proteasomes. Nature, 461, 2009
3HF9	Crystal Structure of Mycobacterium Tuberculosis Proteasome open-gate mutant modified by inhibitor GL1 Descriptor: Proteasome (Alpha subunit) PrcA, Proteasome (Beta subunit) PrcB Authors: Li, D, Li, H. Deposit date: 2009-05-11 Release date: 2009-09-15 Last modified: 2023-11-22 Method: X-RAY DIFFRACTION (2.878 Å) Cite: Inhibitors selective for mycobacterial versus human proteasomes. Nature, 461, 2009
3HGB	Crystal structure of glycine cleavage system protein H from Mycobacterium tuberculosis Descriptor: Glycine cleavage system H protein Authors: Seattle Structural Genomics Center for Infectious Disease (SSGCID) Deposit date: 2009-05-13 Release date: 2009-05-26 Last modified: 2023-09-06 Method: X-RAY DIFFRACTION (1.75 Å) Cite: X-ray structure determination of the glycine cleavage system protein H of Mycobacterium tuberculosis using an inverse Compton synchrotron X-ray source. J.Struct.Funct.Genom., 11, 2010
1HY7	A CARBOXYLIC ACID BASED INHIBITOR IN COMPLEX WITH MMP3 Descriptor: CALCIUM ION, R-2-{[4'-METHOXY-(1,1'-BIPHENYL)-4-YL]-SULFONYL}-AMINO-6-METHOXY-HEX-4-YNOIC ACID, STROMELYSIN-1, ... Authors: Natchus, M.G, Bookland, R.G, Laufersweiler, M.J, Pikul, S, Almstead, N.G, De, B, Janusz, M.J, Hsieh, L.C, Gu, F, Pokross, M.E, Patel, V.S, Garver, S.M, Peng, S.X, Branch, T.M, King, S.L, Baker, T.R, Foltz, D.J, Mieling, G.E. Deposit date: 2001-01-18 Release date: 2002-01-18 Last modified: 2024-02-07 Method: X-RAY DIFFRACTION (1.5 Å) Cite: Development of new carboxylic acid-based MMP inhibitors derived from functionalized propargylglycines. J.Med.Chem., 44, 2001
5AFO	Long Polar Fimbriae adhesin LpfD from the adherent invasive E. coli strain LF82 Descriptor: FIMBRIAE, GLYCEROL Authors: Coppens, F, Iyyathurai, J, Remaut, H. Deposit date: 2015-01-23 Release date: 2015-08-05 Last modified: 2015-08-19 Method: X-RAY DIFFRACTION (1.82 Å) Cite: Structural and Adhesive Properties of the Long Polar Fimbriae Protein Lpfd from Adherent-Invasive Escherichia Coli. Acta Crystallogr.,Sect.D, 71, 2015
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
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
5W93	p130Cas complex with paxillin LD1 Descriptor: Breast cancer anti-estrogen resistance protein 1, Paxillin Authors: Miller, D.J, Zheng, J.J. Deposit date: 2017-06-22 Release date: 2017-09-06 Last modified: 2023-10-04 Method: X-RAY DIFFRACTION (2.001 Å) Cite: Structural and functional insights into the interaction between the Cas family scaffolding protein p130Cas and the focal adhesion-associated protein paxillin. J. Biol. Chem., 292, 2017
5A9Q	Human nuclear pore complex Descriptor: NUCLEAR PORE COMPLEX PROTEIN NUP107, NUCLEAR PORE COMPLEX PROTEIN NUP133, NUCLEAR PORE COMPLEX PROTEIN NUP155, ... Authors: von Appen, A, Kosinski, J, Sparks, L, Ori, A, DiGuilio, A, Vollmer, B, Mackmull, M, Banterle, N, Parca, L, Kastritis, P, Buczak, K, Mosalaganti, S, Hagen, W, Andres-Pons, A, Lemke, E.A, Bork, P, Antonin, W, Glavy, J.S, Bui, K.H, Beck, M. Deposit date: 2015-07-22 Release date: 2015-09-30 Last modified: 2024-05-08 Method: ELECTRON MICROSCOPY (23 Å) Cite: In Situ Structural Analysis of the Human Nuclear Pore Complex Nature, 526, 2015
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
3M6D	The crystal structure of the d307a mutant of glycoside Hydrolase (family 31) from ruminococcus obeum atcc 29174 Descriptor: Uncharacterized protein Authors: Tan, K, Tesar, C, Freeman, L, Babnigg, G, Joachimiak, A, Midwest Center for Structural Genomics (MCSG) Deposit date: 2010-03-15 Release date: 2010-04-21 Last modified: 2023-09-06 Method: X-RAY DIFFRACTION (2.9 Å) Cite: Novel alpha-glucosidase from human gut microbiome: substrate specificities and their switch. Faseb J., 24, 2010
8RB6	Structure of Aldo-Keto Reductase 1C3 (AKR1C3) in complex with an inhibitor M689, with the 3-hydroxy-benzoisoxazole moiety. Resolution 2.0A Descriptor: 1,2-ETHANEDIOL, 4-[[4-(3-hydroxyphenyl)phenyl]amino]-1,2-benzoxazol-3-ol, Aldo-keto reductase family 1 member C3, ... Authors: Frydenvang, K, Mirza, O.A. Deposit date: 2023-12-03 Release date: 2024-03-06 Method: X-RAY DIFFRACTION (2 Å) Cite: Structure-guided optimization of 3-hydroxybenzoisoxazole derivatives as inhibitors of Aldo-keto reductase 1C3 (AKR1C3) to target prostate cancer. Eur.J.Med.Chem., 268, 2024
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
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
1JLL	Crystal Structure Analysis of the E197betaA Mutant of E. coli SCS Descriptor: COENZYME A, PHOSPHATE ION, SULFATE ION, ... Authors: Fraser, M.E. Deposit date: 2001-07-16 Release date: 2002-01-30 Last modified: 2023-08-16 Method: X-RAY DIFFRACTION (2.69 Å) Cite: Two glutamate residues, Glu 208 alpha and Glu 197 beta, are crucial for phosphorylation and dephosphorylation of the active-site histidine residue in succinyl-CoA synthetase. Biochemistry, 41, 2002
1JWN	Crystal Structure of Scapharca inaequivalvis HbI, I114F Mutant Ligated to Carbon Monoxide. Descriptor: CARBON MONOXIDE, Globin I - Ark Shell, PROTOPORPHYRIN IX CONTAINING FE Authors: Knapp, J.E, Gibson, Q.H, Cushing, L, Royer Jr, W.E. Deposit date: 2001-09-04 Release date: 2001-12-18 Last modified: 2024-02-07 Method: X-RAY DIFFRACTION (2.1 Å) Cite: Restricting the ligand-linked heme movement in Scapharca dimeric hemoglobin reveals tight coupling between distal and proximal contributions to cooperativity. Biochemistry, 40, 2001
1HL2	Crystal structure of N-acetylneuraminate lyase from E. coli mutant L142R in complex with b-hydroxypyruvate Descriptor: 3-HYDROXYPYRUVIC ACID, N-ACETYLNEURAMINATE LYASE SUBUNIT Authors: Joerger, A.C, Fersht, A.R. Deposit date: 2003-03-12 Release date: 2003-05-09 Last modified: 2023-12-13 Method: X-RAY DIFFRACTION (1.8 Å) Cite: Mimicking Natural Evolution in Vitro: An N-Acetylneuraminate Lyase Mutant with an Increased Dihydrodipicolinate Synthase Activity Proc.Natl.Acad.Sci.USA, 100, 2003
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
1JZK	Crystal Structure of Scapharca inaequivalvis HbI, I114F mutant (deoxy) Descriptor: GLOBIN I - ARK SHELL, PROTOPORPHYRIN IX CONTAINING FE Authors: Knapp, J.E, Gibson, Q.H, Cushing, L, Royer Jr, W.E. Deposit date: 2001-09-16 Release date: 2001-12-19 Last modified: 2023-08-16 Method: X-RAY DIFFRACTION (2.2 Å) Cite: Restricting the Ligand-Linked Heme Movement in Scapharca Dimeric Hemoglobin Reveals Tight Coupling between Distal and Proximal Contributions to Cooperativity. Biochemistry, 40, 2001
1ICA	REFINED THREE-DIMENSIONAL STRUCTURE OF INSECT DEFENSIN A Descriptor: INSECT DEFENSIN A Authors: Cornet, B, Bonmatin, J.M, Ptak, M, Vovelle, F. Deposit date: 1994-12-16 Release date: 1995-07-10 Last modified: 2022-02-23 Method: SOLUTION NMR Cite: Refined three-dimensional solution structure of insect defensin A. Structure, 3, 1995

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