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3D1Y	Crystal structure of HIV-1 mutant I54V and inhibitor SAQUINA Descriptor: (2S)-N-[(2S,3R)-4-[(2S,3S,4aS,8aS)-3-(tert-butylcarbamoyl)-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl]-3-hydroxy-1 -phenyl-butan-2-yl]-2-(quinolin-2-ylcarbonylamino)butanediamide, CHLORIDE ION, HIV-1 Protease, ... Authors: Liu, F, Weber, I.T. Deposit date: 2008-05-06 Release date: 2008-05-27 Last modified: 2024-02-21 Method: X-RAY DIFFRACTION (1.05 Å) Cite: Effect of flap mutations on structure of HIV-1 protease and inhibition by saquinavir and darunavir. J.Mol.Biol., 381, 2008
6ON9	Crystal Structure of the ZIG-8-RIG-5 IG1-IG1 heterodimer, tetragonal form Descriptor: NeuRonal IgCAM-5, SODIUM ION, SULFATE ION, ... Authors: Cheng, S, Kurleto, J.D, Ozkan, E. Deposit date: 2019-04-20 Release date: 2019-05-15 Last modified: 2023-10-11 Method: X-RAY DIFFRACTION (1.995 Å) Cite: Family of neural wiring receptors in bilaterians defined by phylogenetic, biochemical, and structural evidence. Proc.Natl.Acad.Sci.USA, 116, 2019
2GG0	Novel bacterial methionine aminopeptidase inhibitors Descriptor: COBALT (II) ION, METHYL N-{(2S,3R)-3-AMINO-2-HYDROXY-3-[4-(TRIFLUOROMETHYL)PHENYL]PROPANOYL}ALANYLGLYCINATE, Methionine aminopeptidase, ... Authors: Evdokimov, A.G, Pokross, M.E, Walter, R.L, Mekel, M. Deposit date: 2006-03-23 Release date: 2006-06-13 Last modified: 2023-08-30 Method: X-RAY DIFFRACTION (1.28 Å) Cite: Serendipitous discovery of novel bacterial methionine aminopeptidase inhibitors. Proteins, 66, 2007
2GGB	Novel bacterial methionine aminopeptidase inhibitors Descriptor: COBALT (II) ION, METHYL N-[(2S,3R)-3-AMINO-2-HYDROXYHEPTANOYL]-L-SERYL-L-LEUCINATE, Methionine aminopeptidase, ... Authors: Evdokimov, A.G, Pokross, M.E, Walter, R.L, Mekel, M. Deposit date: 2006-03-23 Release date: 2006-06-13 Last modified: 2023-08-30 Method: X-RAY DIFFRACTION (2.13 Å) Cite: Serendipitous discovery of novel bacterial methionine aminopeptidase inhibitors. Proteins, 66, 2007
2GG2	Novel bacterial methionine aminopeptidase inhibitors Descriptor: 5-IMINO-4-(3-TRIFLUOROMETHYL-PHENYLAZO)-5H-PYRAZOL-3-YLAMINE, COBALT (II) ION, Methionine aminopeptidase, ... Authors: Evdokimov, A.G, Pokross, M.E, Walter, R.L, Mekel, M. Deposit date: 2006-03-23 Release date: 2006-06-13 Last modified: 2023-08-30 Method: X-RAY DIFFRACTION (1 Å) Cite: Serendipitous discovery of novel bacterial methionine aminopeptidase inhibitors. Proteins, 66, 2007
2FWE	crystal structure of the C-terminal domain of the electron transfer catalyst DsbD (oxidized form) Descriptor: IODIDE ION, NICKEL (II) ION, SODIUM ION, ... Authors: Stirnimann, C.U, Rozhkova, A, Grauschopf, U, Boeckmann, R.A, Glockshuber, R, Capitani, G, Gruetter, M.G. Deposit date: 2006-02-02 Release date: 2006-06-13 Last modified: 2023-10-25 Method: X-RAY DIFFRACTION (1.65 Å) Cite: High-resolution structures of Escherichia coli cDsbD in different redox states: A combined crystallographic, biochemical and computational study J.Mol.Biol., 358, 2006
2GHC	Conformational mobility in the active site of a heme peroxidase Descriptor: NITRIC OXIDE, PROTOPORPHYRIN IX CONTAINING FE, SODIUM ION, ... Authors: Badyal, S.K, Joyce, M.G, Sharp, K.H, Raven, E.L, Moody, P.C. Deposit date: 2006-03-27 Release date: 2006-06-13 Last modified: 2024-02-14 Method: X-RAY DIFFRACTION (1.25 Å) Cite: Conformational Mobility in the Active Site of a Heme Peroxidase. J.Biol.Chem., 281, 2006
1YPL	X-ray crystal structure of thrombin inhibited by synthetic cyanopeptide analogue RA-1008 Descriptor: GLYCEROL, Hirudin, N-(BENZYLSULFONYL)-L-LEUCYL-N-(4-{[AMINO(IMINO)METHYL]AMINO}BUTYL)-L-PROLINAMIDE, ... Authors: Fokkens, J, Radau, G. Deposit date: 2005-01-31 Release date: 2006-01-17 Last modified: 2017-10-11 Method: X-RAY DIFFRACTION (1.85 Å) Cite: Design and X-ray crystal structures of human thrombin with synthetic cyanopeptide-analogues. Pharmazie, 62, 2007
2IL5	Structure of Protein of Unknown Function SA2116 from Staphylococcus aureus Descriptor: Hypothetical protein, SODIUM ION Authors: Osipiuk, J, Quartey, P, Holzle, D, Joachimiak, A, Midwest Center for Structural Genomics (MCSG) Deposit date: 2006-10-02 Release date: 2006-10-31 Last modified: 2011-07-13 Method: X-RAY DIFFRACTION (2.3 Å) Cite: X-ray crystal structure of hypothetical protein SA2116 from Staphylococcus aureus. To be Published
2ILY	Crystal structure of poliovirus polymerase complexed with ATP and Mg2+ Descriptor: ACETIC ACID, ADENOSINE-5'-TRIPHOSPHATE, Poliovirus polymerase, ... Authors: Thompson, A.A, Peersen, O.B. Deposit date: 2006-10-03 Release date: 2006-12-12 Last modified: 2023-08-30 Method: X-RAY DIFFRACTION (2.6 Å) Cite: Stabilization of Poliovirus Polymerase by NTP Binding and Fingers-Thumb Interactions. J.Mol.Biol., 366, 2007
2J45	Water structure of T. Aquaticus Ffh NG Domain At 1.1A Resolution Descriptor: (4R)-2-METHYLPENTANE-2,4-DIOL, 1,2-ETHANEDIOL, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, ... Authors: Freymann, D.M, Ramirez, U.D. Deposit date: 2006-08-24 Release date: 2006-11-30 Last modified: 2023-12-13 Method: X-RAY DIFFRACTION (1.14 Å) Cite: Analysis of Protein Hydration in Ultra-High Resolution Structures of the Srp Gtpase Ffh Acta Crystallogr.,Sect.D, 62, 2006
1ZEL	Crystal structure of RV2827C protein from Mycobacterium tuberculosis Descriptor: (4S)-2-METHYL-2,4-PENTANEDIOL, ACETATE ION, FORMIC ACID, ... Authors: Janowski, R, Panjikar, S, Mueller-dieckmann, J, Weiss, M.S, TB Structural Genomics Consortium (TBSGC) Deposit date: 2005-04-19 Release date: 2006-05-02 Last modified: 2024-02-14 Method: X-RAY DIFFRACTION (1.93 Å) Cite: Structural analysis reveals DNA binding properties of Rv2827c, a hypothetical protein from Mycobacterium tuberculosis. J Struct Funct Genomics, 10, 2009
3D0P	Insights into RNA/DNA hybrid recognition and processing by RNase H from the crystal structure of a non-specific enzyme-dsDNA complex Descriptor: DNA (5'-D(*DCP*DGP*DCP*DGP*DAP*DAP*DTP*DTP*DCP*DGP*DCP*DG)-3'), Ribonuclease H, SODIUM ION Authors: Pallan, P.S, Egli, M. Deposit date: 2008-05-02 Release date: 2008-10-07 Last modified: 2023-08-30 Method: X-RAY DIFFRACTION (1.8 Å) Cite: Insights into RNA/DNA hybrid recognition and processing by RNase H from the crystal structure of a non-specific enzyme-dsDNA complex. Cell Cycle, 7, 2008
3CI3	Structure of the PduO-type ATP:co(I)rrinoid adenosyltransferase from Lactobacillus reuteri complexed with partial adenosylcobalamin and PPPi Descriptor: 5'-DEOXYADENOSINE, COBALAMIN, Cobalamin adenosyltransferase PduO-like protein, ... Authors: Maurice, M.St, Mera, P.E, Escalante-Semerena, J.C, Rayment, I. Deposit date: 2008-03-10 Release date: 2008-05-27 Last modified: 2024-02-21 Method: X-RAY DIFFRACTION (1.11 Å) Cite: Structural characterization of a human-type corrinoid adenosyltransferase confirms that coenzyme B12 is synthesized through a four-coordinate intermediate. Biochemistry, 47, 2008
3CX3	Crystal structure Analysis of the Streptococcus pneumoniae AdcAII protein Descriptor: Lipoprotein, SODIUM ION, ZINC ION Authors: Loisel, E, Durmort, C, Jacquamet, L. Deposit date: 2008-04-23 Release date: 2008-08-05 Last modified: 2011-07-13 Method: X-RAY DIFFRACTION (2.4 Å) Cite: AdcAII, a new pneumococcal Zn-binding protein homologous with ABC transporters: biochemical and structural analysis. J.Mol.Biol., 381, 2008
3D20	Crystal structure of HIV-1 mutant I54V and inhibitor DARUNAVIA Descriptor: (3R,3AS,6AR)-HEXAHYDROFURO[2,3-B]FURAN-3-YL(1S,2R)-3-[[(4-AMINOPHENYL)SULFONYL](ISOBUTYL)AMINO]-1-BENZYL-2-HYDROXYPROPYLCARBAMATE, CHLORIDE ION, HIV-1 Protease, ... Authors: Liu, F, Kovalesky, A.Y, Tie, Y, Ghosh, A.K, Harrison, R.W, Weber, I.T. Deposit date: 2008-05-07 Release date: 2008-05-27 Last modified: 2023-08-30 Method: X-RAY DIFFRACTION (1.05 Å) Cite: Effect of flap mutations on structure of HIV-1 protease and inhibition by saquinavir and darunavir. J.Mol.Biol., 381, 2008
1YE8	Crystal Structure of THEP1 from the hyperthermophile Aquifex aeolicus Descriptor: Hypothetical UPF0334 kinase-like protein AQ_1292, MAGNESIUM ION, PHOSPHATE ION, ... Authors: Rossbach, M, Daumke, O, Klinger, C, Wittinghofer, A, Kaufmann, M. Deposit date: 2004-12-28 Release date: 2005-03-29 Last modified: 2014-11-12 Method: X-RAY DIFFRACTION (1.4 Å) Cite: Crystal structure of THEP1 from the hyperthermophile Aquifex aeolicus: a variation of the RecA fold BMC Struct.Biol., 5, 2005
6OA8	Superfolder Green Fluorescent Protein with 4-cyano-L-phenylalanine at the chromophore (position 66) Descriptor: 1,2-ETHANEDIOL, Green fluorescent protein, SODIUM ION, ... Authors: Piacentini, J, Olenginski, G.M, Brewer, S.H, Phillips-Piro, C.M. Deposit date: 2019-03-15 Release date: 2020-08-05 Last modified: 2023-11-15 Method: X-RAY DIFFRACTION (1.37 Å) Cite: Structural and spectrophotometric investigation of two unnatural amino-acid altered chromophores in the superfolder green fluorescent protein Acta Crystallogr.,Sect.D, 2021
3EQG	X-ray structure of the human mitogen-activated protein kinase kinase 1 (MEK1) in a ternary complex with PD, ADP AND MG2P Descriptor: ADENOSINE-5'-DIPHOSPHATE, CALCIUM ION, Dual specificity mitogen-activated protein kinase kinase 1, ... Authors: Fischmann, T.O. Deposit date: 2008-09-30 Release date: 2009-02-24 Last modified: 2024-02-21 Method: X-RAY DIFFRACTION (2.5 Å) Cite: Crystal Structures of MEK1 Binary and Ternary Complexes with Nucleotides and Inhibitors. Biochemistry, 48, 2009
6OMG	Structure of mouse CD1D- Glc-DAG (sn-1 C18:0, sn-2 C18:1c9)-iNKT TCR Ternary complex Descriptor: (2R)-1-(alpha-D-glucopyranosyloxy)-3-(octadecanoyloxy)propan-2-yl (9Z)-octadec-9-enoate, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, ... Authors: Dirk, M.Z, Bitra, A, Wang, J. Deposit date: 2019-04-18 Release date: 2020-04-22 Last modified: 2023-10-11 Method: X-RAY DIFFRACTION (2.1 Å) Cite: Structure of mouse CD1D- Glc-DAG (sn-1 C18:0, sn-2 C18:1c9)-iNKT TCR Ternary complex To Be Published
3EPI	Structure of Human DNA Polymerase Iota complexed with N2-ethylguanine and incoming TTP Descriptor: 5'-D(*DTP*DCP*DTP*(2EG)P*DGP*DGP*DGP*DTP*DCP*DCP*DTP*DAP*DGP*DGP*DAP*DCP*DCP*(DOC))-3', DNA polymerase iota, PHOSPHATE ION, ... Authors: Pence, M.G. Deposit date: 2008-09-29 Release date: 2008-12-16 Last modified: 2023-09-06 Method: X-RAY DIFFRACTION (2.9 Å) Cite: Lesion bypass of N2-ethylguanine by human DNA polymerase iota. J.Biol.Chem., 284, 2009
2IZV	CRYSTAL STRUCTURE OF SOCS-4 IN COMPLEX WITH ELONGIN-B AND ELONGIN-C AT 2.55A RESOLUTION Descriptor: 1,2-ETHANEDIOL, CHLORIDE ION, SODIUM ION, ... Authors: Debreczeni, J.E, Bullock, A, Papagrigoriou, E, Turnbull, A, Pike, A.C.W, Gorrec, F, von Delft, F, Sundstrom, M, Arrowsmith, C, Weigelt, J, Edwards, A, Knapp, S. Deposit date: 2006-07-26 Release date: 2006-08-02 Last modified: 2023-12-13 Method: X-RAY DIFFRACTION (2.55 Å) Cite: Structure of the SOCS4-ElonginB/C complex reveals a distinct SOCS box interface and the molecular basis for SOCS-dependent EGFR degradation. Structure, 15, 2007
3F7C	Crystal structure of a duf416 family protein (maqu_0942) from marinobacter aquaeolei vt8 at 2.00 A resolution Descriptor: CITRIC ACID, SODIUM ION, protein of unknown function (DUF416) Authors: Joint Center for Structural Genomics (JCSG) Deposit date: 2008-11-07 Release date: 2008-11-25 Last modified: 2023-02-01 Method: X-RAY DIFFRACTION (2 Å) Cite: Crystal structure of protein of unknown function (DUF416) (YP_958225.1) from MARINOBACTER AQUAEOLEI VT8 at 2.00 A resolution To be published
3FEW	Structure and Function of Colicin S4, a colicin with a duplicated receptor binding domain Descriptor: Colicin S4, SODIUM ION Authors: Arnold, T, Linke, D, Zeth, K. Deposit date: 2008-12-01 Release date: 2009-01-27 Last modified: 2023-12-27 Method: X-RAY DIFFRACTION (2.45 Å) Cite: Structure and Function of Colicin S4, a Colicin with a Duplicated Receptor-binding Domain J.Biol.Chem., 284, 2009
3F83	Structure of fusion complex of the minor pilin CfaE and major pilin CfaB of CFA/I pili from ETEC E. coli Descriptor: Fusion of the minor pilin CfaE and major pilin CfaB, SODIUM ION, SULFATE ION Authors: Xia, D, Li, Y.F. Deposit date: 2008-11-11 Release date: 2009-08-11 Last modified: 2023-12-27 Method: X-RAY DIFFRACTION (2.3 Å) Cite: Structure of CFA/I fimbriae from enterotoxigenic Escherichia coli. Proc.Natl.Acad.Sci.USA, 106, 2009

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