2A8G
| Structure of Avidin in complex with the ligand deoxyguanosine | Descriptor: | 2'-DEOXY-GUANOSINE, 2-acetamido-2-deoxy-beta-D-glucopyranose, Avidin | Authors: | Conners, R, Hooley, E, Thomas, S, Brady, R.L. | Deposit date: | 2005-07-08 | Release date: | 2006-05-23 | Last modified: | 2023-08-23 | Method: | X-RAY DIFFRACTION (1.99 Å) | Cite: | Recognition of oxidatively modified bases within the biotin-binding site of avidin. J.Mol.Biol., 357, 2006
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1MUI
| Crystal structure of HIV-1 protease complexed with Lopinavir. | Descriptor: | N-{1-BENZYL-4-[2-(2,6-DIMETHYL-PHENOXY)-ACETYLAMINO]-3-HYDROXY-5-PHENYL-PENTYL}-3-METHYL-2-(2-OXO-TETRAHYDRO-PYRIMIDIN-1-YL)-BUTYRAMIDE, protease | Authors: | Stoll, V, Qin, W, Stewart, K.D, Jakob, C, Park, C, Walter, K, Simmer, R.L, Helfrich, R, Bussiere, D, Kao, J, Kempf, D, Sham, H.L, Norbeck, D.W. | Deposit date: | 2002-09-23 | Release date: | 2002-10-23 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | X-ray Crystallographic Structure of ABT-378 (Lopinavir) Bound to HIV-1 Protease BIOORG.MED.CHEM., 10, 2002
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2NSX
| Structure of acid-beta-glucosidase with pharmacological chaperone provides insight into Gaucher disease | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 5-HYDROXYMETHYL-3,4-DIHYDROXYPIPERIDINE, GLYCEROL, ... | Authors: | Lieberman, R.L, Petsko, G.A, Ringe, D. | Deposit date: | 2006-11-06 | Release date: | 2006-12-26 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (2.11 Å) | Cite: | Structure of acid beta-glucosidase with pharmacological chaperone provides insight into Gaucher disease. Nat.Chem.Biol., 3, 2007
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2AA3
| Crystal structure of Plasmodium vivax lactate dehydrogenase complex with APADH | Descriptor: | ACETYL PYRIDINE ADENINE DINUCLEOTIDE, REDUCED, L-lactate dehydrogenase, ... | Authors: | Chaikuad, A, Fairweather, V, Conners, R, Joseph-Horne, T, Turgut-Balik, D, Brady, R.L. | Deposit date: | 2005-07-13 | Release date: | 2006-01-10 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (2.05 Å) | Cite: | Structure of Lactate Dehydrogenase from Plasmodium vivax: Complexes with NADH and APADH. Biochemistry, 44, 2005
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2NZ7
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5TIU
| Crystal structure of SYK kinase domain with inhibitor | Descriptor: | 5-{[(2S)-2-aminopropyl]amino}-3-(1H-indol-2-yl)pyrazine-2-carboxamide, Tyrosine-protein kinase SYK | Authors: | Ellis, J.M, Altman, M.D, Cash, B, Haidle, A.M, Kubiak, R.L, Maddess, M.L, Yan, Y, Northrup, A.B. | Deposit date: | 2016-10-03 | Release date: | 2017-01-11 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (1.49 Å) | Cite: | Carboxamide Spleen Tyrosine Kinase (Syk) Inhibitors: Leveraging Ground State Interactions To Accelerate Optimization. ACS Med Chem Lett, 7, 2016
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1N46
| CRYSTAL STRUCTURE OF HUMAN TR BETA LIGAND-BINDING DOMAIN COMPLEXED WITH A POTENT SUBTYPE-SELECTIVE THYROMIMETIC | Descriptor: | Thyroid hormone receptor Beta-1, [4-(4-HYDROXY-3-ISOPROPYL-PHENOXY)-3,5-DIMETHYL-PHENYL]-6-AZAURACIL | Authors: | Dow, R.L, Schneider, S.R, Paight, E.S, Hank, R.F, Chiang, P, Cornelius, P, Lee, E, Newsome, W.P, Swick, A.G, Spitzer, J, Hargrove, D.M, Patterson, T.A, Pandit, J, Chrunyk, B.A, LeMotte, P.K, Danley, D.E, Rosner, M.H, Ammirati, M.J, Simons, S.P, Schulte, G.K, Tate, B.F, DaSilva-Jardine, P. | Deposit date: | 2002-10-30 | Release date: | 2003-04-22 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Discovery of a Novel Series of 6-Azauracil-Based Thyroid Hormone Receptor Ligands:
Potent, TRbeta Subtype-Selective Thyromimetics Bioorg.Med.Chem.Lett., 13, 2003
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1KCQ
| Human Gelsolin Domain 2 with a Cd2+ bound | Descriptor: | CADMIUM ION, GELSOLIN | Authors: | Kazmirski, S.L, Isaacson, R.L, An, C, Buckle, A, Johnson, C.M, Daggett, V, Fersht, A.R. | Deposit date: | 2001-11-09 | Release date: | 2002-01-04 | Last modified: | 2023-08-16 | Method: | X-RAY DIFFRACTION (1.65 Å) | Cite: | Loss of a metal-binding site in gelsolin leads to familial amyloidosis-Finnish type. Nat.Struct.Biol., 9, 2002
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7LVZ
| Crystal structure of ADO | Descriptor: | 2-aminoethanethiol dioxygenase, CHLORIDE ION, FE (II) ION, ... | Authors: | Bingman, C.A, Fernandez, R.L, Smith, R.W, Fox, B.G, Brunold, T.C. | Deposit date: | 2021-02-26 | Release date: | 2022-01-05 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (1.89 Å) | Cite: | The Crystal Structure of Cysteamine Dioxygenase Reveals the Origin of the Large Substrate Scope of This Vital Mammalian Enzyme. Biochemistry, 60, 2021
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1KPP
| Structure of the Tsg101 UEV domain | Descriptor: | Tumor susceptibility gene 101 protein | Authors: | Pornillos, O, Alam, S.L, Rich, R.L, Myszka, D.G, Davis, D.R, Sundquist, W.I. | Deposit date: | 2002-01-02 | Release date: | 2002-05-24 | Last modified: | 2024-05-22 | Method: | SOLUTION NMR | Cite: | Structure and functional interactions of the Tsg101 UEV domain. EMBO J., 21, 2002
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1KQC
| Structure of Nitroreductase from E. cloacae Complex with Inhibitor Acetate | Descriptor: | ACETATE ION, FLAVIN MONONUCLEOTIDE, OXYGEN-INSENSITIVE NAD(P)H NITROREDUCTASE | Authors: | Haynes, C.A, Koder, R.L, Miller, A.F, Rodgers, D.W. | Deposit date: | 2002-01-04 | Release date: | 2002-02-13 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Structures of nitroreductase in three states: effects of inhibitor binding and reduction. J.Biol.Chem., 277, 2002
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1KI3
| CRYSTAL STRUCTURE OF THYMIDINE KINASE FROM HERPES SIMPLEX VIRUS TYPE I COMPLEXED WITH PENCICLOVIR | Descriptor: | 9-(4-HYDROXY-3-(HYDROXYMETHYL)BUT-1-YL)GUANINE, SULFATE ION, THYMIDINE KINASE | Authors: | Champness, J.N, Bennett, M.S, Wien, F, Visse, R, Jarvest, R.L, Summers, W.C, Sanderson, M.R. | Deposit date: | 1998-05-15 | Release date: | 1999-05-18 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (2.37 Å) | Cite: | Exploring the active site of herpes simplex virus type-1 thymidine kinase by X-ray crystallography of complexes with aciclovir and other ligands. Proteins, 32, 1998
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1KN3
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2AJL
| X-ray Structure of Novel Biaryl-Based Dipeptidyl peptidase IV inhibitor | Descriptor: | 1-[2-(S)-AMINO-3-BIPHENYL-4-YL-PROPIONYL]-PYRROLIDINE-2-(S)-CARBONITRILE, 2-acetamido-2-deoxy-beta-D-glucopyranose, Dipeptidyl peptidase 4 | Authors: | Qiao, L, Baumann, C.A, Crysler, C.S, Ninan, N.S, Abad, M.C, Spurlino, J.C, DesJarlais, R.L, Kervinen, J, Neeper, M.P, Bayoumy, S.S. | Deposit date: | 2005-08-02 | Release date: | 2005-11-08 | Last modified: | 2023-08-23 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Discovery, SAR, and X-ray structure of novel biaryl-based dipeptidyl peptidase IV inhibitors Bioorg.Med.Chem.Lett., 16, 2006
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2ANO
| Crystal structure of E.coli dihydrofolate reductase in complex with NADPH and the inhibitor MS-SH08-17 | Descriptor: | 1-{[N-(1-IMINO-GUANIDINO-METHYL)]SULFANYLMETHYL}-3-TRIFLUOROMETHYL-BENZENE, Dihydrofolate reductase, MANGANESE (II) ION, ... | Authors: | Summerfield, R.L, Daigle, D.M, Mayer, S, Jackson, S.G, Organ, M, Hughes, D.W, Brown, E.D, Junop, M.S. | Deposit date: | 2005-08-11 | Release date: | 2006-07-25 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (2.68 Å) | Cite: | A 2.13 A Structure of E. coli Dihydrofolate Reductase Bound to a Novel Competitive Inhibitor Reveals a New Binding Surface Involving the M20 Loop Region J.Med.Chem., 49, 2006
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2NQG
| Calpain 1 proteolytic core inactivated by WR18(S,S), an epoxysuccinyl-type inhibitor. | Descriptor: | 5-AZANYLIDYNE-N-[(2S)-4-ETHOXY-2-HYDROXY-4-OXOBUTANOYL]-L-NORVALYL-L-ARGINYL-L-TRYPTOPHANAMIDE, CALCIUM ION, Calpain-1 catalytic subunit | Authors: | Cuerrier, D, Davies, P.L, Campbell, R.L, Moldoveanu, T. | Deposit date: | 2006-10-31 | Release date: | 2007-01-09 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (2.04 Å) | Cite: | Development of Calpain-specific Inactivators by Screening of Positional Scanning Epoxide Libraries J.Biol.Chem., 282, 2007
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1NDA
| THE STRUCTURE OF TRYPANOSOMA CRUZI TRYPANOTHIONE REDUCTASE IN THE OXIDIZED AND NADPH REDUCED STATE | Descriptor: | FLAVIN-ADENINE DINUCLEOTIDE, TRYPANOTHIONE OXIDOREDUCTASE | Authors: | Lantwin, C.B, Kabsch, W, Pai, E.F, Schlichting, I, Krauth-Siegel, R.L. | Deposit date: | 1993-07-02 | Release date: | 1994-09-30 | Last modified: | 2017-11-29 | Method: | X-RAY DIFFRACTION (3.3 Å) | Cite: | The structure of Trypanosoma cruzi trypanothione reductase in the oxidized and NADPH reduced state. Proteins, 18, 1994
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1NAK
| IGG1 FAB FRAGMENT (83.1) COMPLEX WITH 16-RESIDUE PEPTIDE (RESIDUES 304-321 OF HIV-1 GP120 (MN ISOLATE)) | Descriptor: | Fab 83.1 - heavy chain, Fab 83.1 - light chain, Peptide MP1 | Authors: | Stanfield, R.L, Ghiara, J.B, Saphire, E.O, Profy, A.T, Wilson, I.A. | Deposit date: | 2002-11-27 | Release date: | 2003-11-18 | Last modified: | 2023-08-16 | Method: | X-RAY DIFFRACTION (2.57 Å) | Cite: | Recurring conformation of the human immunodeficiency virus type 1 gp120 V3 loop. Virology, 315, 2003
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2QAE
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2NQI
| Calpain 1 proteolytic core inactivated by WR13(R,R), an epoxysuccinyl-type inhibitor. | Descriptor: | CALCIUM ION, Calpain-1 catalytic subunit, N~2~-[(2S)-2-{[(2R)-4-ETHOXY-2-HYDROXY-4-OXOBUTANOYL]AMINO}PENT-4-ENOYL]-L-ARGINYL-L-TRYPTOPHANAMIDE | Authors: | Cuerrier, D, Davies, P.L, Campbell, R.L, Moldoveanu, T. | Deposit date: | 2006-10-31 | Release date: | 2007-01-09 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (2.04 Å) | Cite: | Development of Calpain-specific Inactivators by Screening of Positional Scanning Epoxide Libraries J.Biol.Chem., 282, 2007
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2NCK
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2QYQ
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2M2B
| NMR structure of the RRM2 domain of the protein RBM10 from Homo sapiens | Descriptor: | RNA-binding protein 10 | Authors: | Serrano, P, Geralt, M, Dutta, S.K, Wuthrich, K, Wrobel, R.L, Makino, S, Misenhiemer, T.M, Markley, J.L, Fox, B.G, Joint Center for Structural Genomics (JCSG), Partnership for T-Cell Biology (TCELL), Mitochondrial Protein Partnership (MPP) | Deposit date: | 2012-12-17 | Release date: | 2013-01-16 | Last modified: | 2024-05-15 | Method: | SOLUTION NMR | Cite: | NMR structure of the RRM2 domain of the protein RBM10 from Homo sapiens To be Published
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2QIH
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2QSC
| Crystal structure analysis of anti-HIV-1 V3-Fab F425-B4e8 in complex with a V3-peptide | Descriptor: | CHLORIDE ION, Envelope glycoprotein gp120, Fab F425-B4e8, ... | Authors: | Bell, C.H, Schiefner, A, Stanfield, R.L, Wilson, I.A. | Deposit date: | 2007-07-30 | Release date: | 2008-01-15 | Last modified: | 2020-07-29 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Structure of antibody F425-B4e8 in complex with a V3 peptide reveals a new binding mode for HIV-1 neutralization. J.Mol.Biol., 375, 2008
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