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1BHX	X-RAY STRUCTURE OF THE COMPLEX OF HUMAN ALPHA THROMBIN WITH THE INHIBITOR SDZ 229-357 Descriptor: 5-OXO-6-PHENYLMETHANESULFONYLAMINO-HEXAHYDRO-THIAZOLO[3,2-A]PYRIDINE-3-CARBOXYLIC ACID (3-GUANIDINO-PROPYL)-AMIDE, ALPHA THROMBIN Authors: Kallen, J. Deposit date: 1998-06-10 Release date: 1998-11-04 Last modified: 2023-08-02 Method: X-RAY DIFFRACTION (2.3 Å) Cite: Rational design, synthesis, and X-ray structure of selective noncovalent thrombin inhibitors. J.Med.Chem., 41, 1998
1BFJ	SOLUTION STRUCTURE OF THE C-TERMINAL SH2 DOMAIN OF THE P85ALPHA REGULATORY SUBUNIT OF PHOSPHOINOSITIDE 3-KINASE, NMR, MINIMIZED AVERAGE STRUCTURE Descriptor: P85 ALPHA Authors: Siegal, G, Davis, B, Kristensen, S.M, Sankar, A, Linacre, J, Stein, R.C, Panayotou, G, Waterfield, M.D, Driscoll, P.C. Deposit date: 1997-11-18 Release date: 1998-02-25 Last modified: 2024-05-22 Method: SOLUTION NMR Cite: Solution structure of the C-terminal SH2 domain of the p85 alpha regulatory subunit of phosphoinositide 3-kinase. J.Mol.Biol., 276, 1998
1DZV	L-Fuculose-1-Phosphate Aldolase from Escherichia coli Mutant Y113F/Y209F Descriptor: BETA-MERCAPTOETHANOL, L-fuculose phosphate aldolase, SULFATE ION, ... Authors: Joerger, A.C, Schulz, G.E. Deposit date: 2000-03-07 Release date: 2000-06-02 Last modified: 2019-09-25 Method: X-RAY DIFFRACTION (1.86 Å) Cite: Catalytic Action of Fuculose 1-Phosphate Aldolase (Class II) as Derived from Structure-Directed Mutagenesis Biochemistry, 39, 2000
1E1V	HUMAN CYCLIN DEPENDENT KINASE 2 COMPLEXED WITH THE INHIBITOR NU2058 Descriptor: 6-O-CYCLOHEXYLMETHYL GUANINE, CYCLIN-DEPENDENT PROTEIN KINASE 2 Authors: Endicott, J.A, Noble, M.E.M, Johnson, L.N. Deposit date: 2000-05-11 Release date: 2001-05-10 Last modified: 2023-12-06 Method: X-RAY DIFFRACTION (1.95 Å) Cite: Identification of Novel Purine and Pyrimidine Cyclin-Dependent Kinase Inhibitors with Distinct Molecular Interactions and Tumor Cell Growth Inhibition Profiles. J.Med.Chem., 43, 2000
4FIC	Kinase domain of cSrc in complex with a hinge region-binding fragment Descriptor: 6-phenyl[1,2,4]triazolo[1,5-a]pyrazin-2-amine, Proto-oncogene tyrosine-protein kinase Src Authors: Richters, A, Rauh, D. Deposit date: 2012-06-08 Release date: 2013-04-10 Last modified: 2023-09-13 Method: X-RAY DIFFRACTION (2.5 Å) Cite: De novo design of protein kinase inhibitors by in silico identification of hinge region-binding fragments. Acs Chem.Biol., 8, 2013
1DZU	L-Fuculose-1-Phosphate Aldolase from Escherichia coli Mutant T26A Descriptor: BETA-MERCAPTOETHANOL, L-fuculose phosphate aldolase, SULFATE ION, ... Authors: Joerger, A.C, Schulz, G.E. Deposit date: 2000-03-07 Release date: 2000-06-02 Last modified: 2019-09-25 Method: X-RAY DIFFRACTION (2.09 Å) Cite: Catalytic Action of Fuculose 1-Phosphate Aldolase (Class II) as Derived from Structure-Directed Mutagenesis Biochemistry, 39, 2000
1DZY	L-Fuculose-1-Phosphate Aldolase from Escherichia coli Mutant E214A Descriptor: BETA-MERCAPTOETHANOL, L-FUCULOSE-1-PHOSPHATE ALDOLASE, SULFATE ION, ... Authors: Joerger, A.C, Schulz, G.E. Deposit date: 2000-03-07 Release date: 2000-06-02 Last modified: 2019-01-30 Method: X-RAY DIFFRACTION (2.44 Å) Cite: Catalytic Action of Fuculose 1-Phosphate Aldolase (Class II) as Derived from Structure-Directed Mutagenesis Biochemistry, 39, 2000
4FIV	FIV PROTEASE COMPLEXED WITH AN INHIBITOR LP-130 Descriptor: 4-[2-(2-ACETYLAMINO-3-NAPHTALEN-1-YL-PROPIONYLAMINO)-4-METHYL-PENTANOYLAMINO]-3-HYDROXY-6-METHYL-HEPTANOIC ACID [1-(1-CARBAMOYL-2-NAPHTHALEN-1-YL-ETHYLCARBAMOYL)-PROPYL]-AMIDE, FELINE IMMUNODEFICIENCY VIRUS PROTEASE Authors: Kervinen, J, Lubkowski, J, Zdanov, A, Wlodawer, A, Gustchina, A. Deposit date: 1998-07-15 Release date: 1999-01-13 Last modified: 2024-05-22 Method: X-RAY DIFFRACTION (1.8 Å) Cite: Toward a universal inhibitor of retroviral proteases: comparative analysis of the interactions of LP-130 complexed with proteases from HIV-1, FIV, and EIAV. Protein Sci., 7, 1998
1CIS	CONTEXT DEPENDENCE OF PROTEIN SECONDARY STRUCTURE FORMATION. THE THREE-DIMENSIONAL STRUCTURE AND STABILITY OF A HYBRID BETWEEN CHYMOTRYPSIN INHIBITOR 2 AND HELIX E FROM SUBTILISIN CARLSBERG Descriptor: HYBRID PROTEIN FORMED FROM CHYMOTRYPSIN INHIBITOR-2 Authors: Osmark, P, Sorensen, P, Poulsen, F.M. Deposit date: 1993-04-23 Release date: 1993-10-31 Last modified: 2024-04-10 Method: SOLUTION NMR Cite: Context dependence of protein secondary structure formation: the three-dimensional structure and stability of a hybrid between chymotrypsin inhibitor 2 and helix E from subtilisin Carlsberg. Biochemistry, 32, 1993
1DZZ	L-Fuculose-1-Phosphate Aldolase from Escherichia coli Mutant Y113F Descriptor: BETA-MERCAPTOETHANOL, L-fuculose phosphate aldolase, SULFATE ION, ... Authors: Joerger, A.C, Schulz, G.E. Deposit date: 2000-03-07 Release date: 2000-06-02 Last modified: 2019-09-25 Method: X-RAY DIFFRACTION (1.92 Å) Cite: Catalytic Action of Fuculose 1-Phosphate Aldolase (Class II) as Derived from Structure-Directed Mutagenesis Biochemistry, 39, 2000
4G2R	Crystal Structure of the carboxyltransferase subunit of ACC (AccD6) in complex with inhibitor haloxyfop from Mycobacterium tuberculosis Descriptor: (2R)-2-(4-{[3-chloro-5-(trifluoromethyl)pyridin-2-yl]oxy}phenoxy)propanoic acid, AccD6, Carboxyltransferase beta-subunit of Acyl-CoA Carboxylase Authors: Reddy, M.C.M, Bruning, J.B, Thurman, C, Sherekar, M, Valluru, S, Ehrenfeld, H, Sacchettini, J.C, TB Structural Genomics Consortium (TBSGC) Deposit date: 2012-07-12 Release date: 2014-02-19 Last modified: 2023-09-13 Method: X-RAY DIFFRACTION (2.28 Å) Cite: Structure, Activity, and Inhibition of the Carboxyltransferase beta-Subunit of Acetyl Coenzyme A Carboxylase (AccD6) from Mycobacterium tuberculosis. Antimicrob.Agents Chemother., 58, 2014
1EIW	Solution structure of hypothetical protein MTH538 from Methanobacterium thermoautotrophicum Descriptor: HYPOTHETICAL PROTEIN MTH538 Authors: Cort, J.R, Arrowsmith, C.H, Kennedy, M.A, Northeast Structural Genomics Consortium (NESG) Deposit date: 2000-02-29 Release date: 2000-09-06 Last modified: 2024-05-22 Method: SOLUTION NMR Cite: Structure-based functional classification of hypothetical protein MTH538 from Methanobacterium thermoautotrophicum. J.Mol.Biol., 302, 2000
3IFN	X-ray structure of amyloid beta peptide:antibody (Abeta1-40:12A11) complex Descriptor: 12A11 FAB antibody heavy chain, 12A11 FAB antibody light chain, Amyloid beta A4 protein Authors: Weis, W.I, Feinberg, H, Basi, G.S, Schenk, D. Deposit date: 2009-07-24 Release date: 2009-11-17 Last modified: 2013-06-19 Method: X-RAY DIFFRACTION (1.5 Å) Cite: Structural correlates of antibodies associated with acute reversal of amyloid beta-related behavioral deficits in a mouse model of Alzheimer disease. J.Biol.Chem., 285, 2010
3II9	Crystal structure of glutaryl-coa dehydrogenase from Burkholderia pseudomallei at 1.73 Angstrom Descriptor: DI(HYDROXYETHYL)ETHER, GLYCEROL, Glutaryl-CoA dehydrogenase, ... Authors: Ismagilov, R.F, Li, L, Du, W.B, Staker, B, Accelerated Technologies Center for Gene to 3D Structure (ATCG3D), Seattle Structural Genomics Center for Infectious Disease (SSGCID) Deposit date: 2009-07-31 Release date: 2009-12-15 Last modified: 2023-09-06 Method: X-RAY DIFFRACTION (1.74 Å) Cite: User-loaded SlipChip for equipment-free multiplexed nanoliter-scale experiments. J.Am.Chem.Soc., 132, 2010
3IK1	Lactobacillus casei Thymidylate Synthase in Ternary Complex with dUMP and the Phtalimidic Derivative 20C Descriptor: 2'-DEOXYURIDINE 5'-MONOPHOSPHATE, 2-hydroxy-4-(4-methyl-1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)benzoic acid, Thymidylate synthase Authors: Pozzi, C, Cancian, L, Leone, R, Luciani, R, Ferrari, S, Mangani, S, Costi, M.P. Deposit date: 2009-08-05 Release date: 2010-08-11 Last modified: 2023-11-01 Method: X-RAY DIFFRACTION (2.25 Å) Cite: Identification of the binding modes of N-phenylphthalimides inhibiting bacterial thymidylate synthase through X-ray crystallography screening J.Med.Chem., 54, 2011
3IR2	Crystal structure of the APOBEC3G catalytic domain Descriptor: CHLORIDE ION, DNA dC->dU-editing enzyme APOBEC-3G, MAGNESIUM ION, ... Authors: Shandilya, S.M.D, Schiffer, C.A. Deposit date: 2009-08-21 Release date: 2010-01-12 Last modified: 2023-09-06 Method: X-RAY DIFFRACTION (2.25 Å) Cite: Crystal Structure of the APOBEC3G Catalytic Domain Reveals Potential Oligomerization Interfaces. Structure, 18, 2010
3IFO	X-ray structure of amyloid beta peptide:antibody (Abeta1-7:10D5) complex Descriptor: 10D5 FAB antibody heavy chain, 10D5 FAB antibody light chain, Amyloid beta A4 protein Authors: Weis, W.I, Feinberg, H, Basi, G.S, Schenk, D. Deposit date: 2009-07-24 Release date: 2009-11-17 Last modified: 2013-09-25 Method: X-RAY DIFFRACTION (2.15 Å) Cite: Structural correlates of antibodies associated with acute reversal of amyloid beta-related behavioral deficits in a mouse model of Alzheimer disease. J.Biol.Chem., 285, 2010
3EFT	Crystal structure of the complex between Carbonic Anhydrase II and a spin-labeled sulfonamide incorporating TEMPO moiety Descriptor: 3-chloro-4-{[(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)carbamothioyl]amino}benzenesulfonamide, Carbonic anhydrase 2, MERCURY (II) ION, ... Authors: Temperini, C, Cecchi, A, Scozzafava, A, Supuran, C.T. Deposit date: 2008-09-10 Release date: 2009-09-08 Last modified: 2023-11-01 Method: X-RAY DIFFRACTION (1.85 Å) Cite: Dissecting the Inhibition Mechanism of Cytosolic versus Transmembrane Carbonic Anhydrases by ESR J.Phys.Chem.B, 113, 2009
3IL1	Crystal structure of the AMPA subunit GluR2 bound to the allosteric modulator, IDRA-21 Descriptor: (3S)-7-chloro-3-methyl-3,4-dihydro-2H-1,2,4-benzothiadiazine 1,1-dioxide, GLUTAMIC ACID, Glutamate receptor 2, ... Authors: Ahmed, A.H, Ptak, C.P, Oswald, R.E. Deposit date: 2009-08-06 Release date: 2009-09-15 Last modified: 2023-09-06 Method: X-RAY DIFFRACTION (1.998 Å) Cite: Probing the allosteric modulator binding site of GluR2 with thiazide derivatives Biochemistry, 48, 2009
2RPF	RecO-bound ssDNA Descriptor: DNA (5'-D(*DTP*DAP*DCP*DG)-3') Authors: Masuda, T, Ito, Y, Shibata, T, Mikawa, T. Deposit date: 2008-05-15 Release date: 2009-05-26 Last modified: 2024-05-15 Method: SOLUTION NMR Cite: A non-canonical DNA structure enables homologous recombination in various genetic systems J.Biol.Chem., 284, 2009
3EDR	The crystal structure of caspase-7 in complex with Acetyl-LDESD-CHO Descriptor: Caspase-7, Inhibitor Ac-ldesd-cho peptide Authors: Agniswamy, J. Deposit date: 2008-09-03 Release date: 2008-10-28 Last modified: 2023-11-15 Method: X-RAY DIFFRACTION (2.45 Å) Cite: Structural basis for executioner caspase recognition of P5 position in substrates. Apoptosis, 13, 2008
3ILT	Crystal structure of the AMPA subunit GluR2 bound to the allosteric modulator, trichlormethiazide Descriptor: 6-CHLORO-3-(DICHLOROMETHYL)-3,4-DIHYDRO-2H-1,2,4-BENZOTHIADIAZINE-7-SULFONAMIDE 1,1-DIOXIDE, GLUTAMIC ACID, Glutamate receptor 2, ... Authors: Ahmed, A.H, Ptak, C.P, Oswald, R.E. Deposit date: 2009-08-07 Release date: 2009-09-15 Last modified: 2023-09-06 Method: X-RAY DIFFRACTION (2.107 Å) Cite: Probing the allosteric modulator binding site of GluR2 with thiazide derivatives Biochemistry, 48, 2009
3EJZ	Structure of E203V mutant E.coli Cl-/H+ exchanger, CLC-ec1 Descriptor: BROMIDE ION, Fab fragment, Heavy chain, ... Authors: Lim, H.-H, Miller, C. Deposit date: 2008-09-18 Release date: 2009-02-17 Last modified: 2023-08-30 Method: X-RAY DIFFRACTION (2.9 Å) Cite: Intracellular proton-transfer mutants in a CLC Cl-/H+ exchanger. J.Gen.Physiol., 133, 2009
3IFP	X-ray structure of amyloid beta peptide:antibody (Abeta1-7:12B4) complex Descriptor: 12B4 FAB antibody heavy chain, 12B4 FAB antibody light chain, Amyloid beta A4 protein Authors: Weis, W.I, Feinberg, H, Basi, G.S, Schenk, D. Deposit date: 2009-07-24 Release date: 2009-11-17 Last modified: 2013-09-25 Method: X-RAY DIFFRACTION (2.95 Å) Cite: Structural correlates of antibodies associated with acute reversal of amyloid beta-related behavioral deficits in a mouse model of Alzheimer disease. J.Biol.Chem., 285, 2010
3IK6	Crystal structure of the AMPA subunit GluR2 bound to the allosteric modulator, chlorothiazide Descriptor: 6-chloro-3,4-dihydro-2H-1,2,4-benzothiadiazine-7-sulfonamide 1,1-dioxide, GLUTAMIC ACID, Glutamate receptor 2, ... Authors: Ptak, C.P, Ahmed, A.H, Oswald, R.E. Deposit date: 2009-08-05 Release date: 2009-09-15 Last modified: 2023-09-06 Method: X-RAY DIFFRACTION (2.101 Å) Cite: Probing the allosteric modulator binding site of GluR2 with thiazide derivatives Biochemistry, 48, 2009

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