1RDX
 
 | | R-STATE STRUCTURE OF THE ARG 243 TO ALA MUTANT OF PIG KIDNEY FRUCTOSE 1,6-BISPHOSPHATASE EXPRESSED IN E. COLI | | Descriptor: | 6-O-phosphono-beta-D-fructofuranose, FRUCTOSE 1,6-BISPHOSPHATASE | | Authors: | Stec, B, Abraham, R, Giroux, E, Kantrowitz, E.R. | | Deposit date: | 1996-05-17 | | Release date: | 1997-01-11 | | Last modified: | 2024-02-14 | | Method: | X-RAY DIFFRACTION (2.75 Å) | | Cite: | Crystal structures of the active site mutant (Arg-243-->Ala) in the T and R allosteric states of pig kidney fructose-1,6-bisphosphatase expressed in Escherichia coli.
Protein Sci., 5, 1996
|
|
2B4C
 | | Crystal structure of HIV-1 JR-FL gp120 core protein containing the third variable region (V3) complexed with CD4 and the X5 antibody | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, SULFATE ION, T-cell surface glycoprotein CD4, ... | | Authors: | Huang, C, Tang, M, Zhang, M.Y, Majeed, S, Montabana, E, Stanfield, R.L, Dimitrov, D.S, Korber, B, Sodroski, J, Wilson, I.A, Wyatt, R, Kwong, P.D. | | Deposit date: | 2005-09-23 | | Release date: | 2005-11-15 | | Last modified: | 2024-10-16 | | Method: | X-RAY DIFFRACTION (3.3 Å) | | Cite: | Structure of a V3-containing HIV-1 gp120 core.
Science, 310, 2005
|
|
6MYY
 | | Germline VRC01 antibody recognition of a modified clade C HIV-1 envelope trimer, 3 Fabs bound, sharpened map | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 426c DS-SOSIP D3, ... | | Authors: | Borst, A.J, Weidle, C.E, Gray, M.D, Frenz, B, Snijder, J, Joyce, M.G, Georgiev, I.S, Stewart-Jones, G.B.E, Kwong, P.D, McGuire, A.T, DiMaio, F, Stamatatos, L, Pancera, M, Veesler, D. | | Deposit date: | 2018-11-02 | | Release date: | 2018-11-14 | | Last modified: | 2024-11-13 | | Method: | ELECTRON MICROSCOPY (3.8 Å) | | Cite: | Germline VRC01 antibody recognition of a modified clade C HIV-1 envelope trimer and a glycosylated HIV-1 gp120 core.
Elife, 7, 2018
|
|
3LIX
 | | crystal structure of htlv protease complexed with the inhibitor KNI-10729 | | Descriptor: | N-{(1S,2S)-1-benzyl-3-[(4R)-5,5-dimethyl-4-{[(1R)-1,2,2-trimethylpropyl]carbamoyl}-1,3-thiazolidin-3-yl]-2-hydroxy-3-oxopropyl}-3-methyl-N~2~-{(2S)-2-[(morpholin-4-ylacetyl)amino]-2-phenylacetyl}-L-valinamide, Protease, ZINC ION | | Authors: | Satoh, T, Li, M, Nguyen, J, Kiso, Y, Wlodawer, A, Gustchina, A. | | Deposit date: | 2010-01-25 | | Release date: | 2010-07-14 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (2.7 Å) | | Cite: | Crystal structures of inhibitor complexes of human T-cell leukemia virus (HTLV-1) protease.
J.Mol.Biol., 401, 2010
|
|
1HMV
 | | THE STRUCTURE OF UNLIGANDED REVERSE TRANSCRIPTASE FROM THE HUMAN IMMUNODEFICIENCY VIRUS TYPE 1 | | Descriptor: | HIV-1 REVERSE TRANSCRIPTASE (SUBUNIT P51), HIV-1 REVERSE TRANSCRIPTASE (SUBUNIT P66), MAGNESIUM ION | | Authors: | Rodgers, D.W, Gamblin, S.J, Harris, B.A, Ray, S, Culp, J.S, Hellmig, B, Woolf, D.J, Debouck, C, Harrison, S.C. | | Deposit date: | 1994-12-15 | | Release date: | 1995-03-31 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (3.2 Å) | | Cite: | The structure of unliganded reverse transcriptase from the human immunodeficiency virus type 1.
Proc.Natl.Acad.Sci.USA, 92, 1995
|
|
3V6D
 | | Crystal structure of HIV-1 reverse transcriptase (RT) cross-linked with AZT-terminated DNA | | Descriptor: | DNA (5'-D(*AP*CP*AP*GP*TP*CP*CP*CP*TP*GP*TP*TP*CP*GP*GP*(MRG)P*CP*GP*CP*CP*(ATM))-3'), DNA (5'-D(*AP*TP*GP*GP*AP*AP*GP*GP*CP*GP*CP*CP*CP*GP*AP*AP*CP*AP*GP*GP*GP*AP*CP*TP*GP*TP*G)-3'), HIV-1 REVERSE TRANSCRIPTASE P51 subunit, ... | | Authors: | Das, K, Martinez, S.E, Arnold, E. | | Deposit date: | 2011-12-19 | | Release date: | 2012-01-18 | | Last modified: | 2024-11-06 | | Method: | X-RAY DIFFRACTION (2.7048 Å) | | Cite: | HIV-1 reverse transcriptase complex with DNA and nevirapine reveals non-nucleoside inhibition mechanism.
Nat.Struct.Mol.Biol., 19, 2012
|
|
1XDG
 | | X-ray structure of LFA-1 I-domain in complex with LFA878 at 2.1A resolution | | Descriptor: | (1S,3R,8AS)-8-(2-{(4S,6S)-3-(4-HYDROXY-3-METHOXYBENZYL)-4-[2-(METHYLAMINO)-2-OXOETHYL]-2-OXO-1,3-OXAZINAN-6-YL}ETHYL)-3 ,7-DIMETHYL-1,2,3,7,8,8A-HEXAHYDRONAPHTHALEN-1-YL (2R)-2-METHYLBUTANOATE, Integrin alpha-L, MAGNESIUM ION | | Authors: | Weitz-Schmidt, G, Welzenbach, K, Dawson, J, Kallen, J. | | Deposit date: | 2004-09-06 | | Release date: | 2004-09-21 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Improved lymphocyte function-associated antigen-1 (LFA-1) inhibition by statin derivatives: molecular basis determined by x-ray analysis and monitoring of LFA-1 conformational changes in vitro and ex vivo
J.Biol.Chem., 279, 2004
|
|
5OW7
 | | VDR complex | | Descriptor: | (3~{S})-3-[(1~{S},3~{a}~{S},4~{E},7~{a}~{S})-7~{a}-methyl-4-[(2~{Z})-2-[(5~{S})-2-methylidene-5-oxidanyl-cyclohexylidene]ethylidene]-2,3,3~{a},5,6,7-hexahydro-1~{H}-inden-1-yl]-3-oxidanyl-~{N}-propan-2-yl-butanamide, Nuclear receptor coactivator 1, Vitamin D3 receptor A | | Authors: | Rochel, N, Li, W. | | Deposit date: | 2017-08-31 | | Release date: | 2018-02-07 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Investigation of 20S-hydroxyvitamin D3 analogs and their 1 alpha-OH derivatives as potent vitamin D receptor agonists with anti-inflammatory activities.
Sci Rep, 8, 2018
|
|
5V7J
 | | Crystal Structure at 3.7 A Resolution of Glycosylated HIV-1 Clade A BG505 SOSIP.664 Prefusion Env Trimer with Four Glycans (N197, N276, N362, and N462) removed in Complex with Neutralizing Antibodies 3H+109L and 35O22. | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Antibody 35O22 Fab heavy chain, ... | | Authors: | Stewart-Jones, G.B.E, Zhou, T, Kwong, P.D. | | Deposit date: | 2017-03-20 | | Release date: | 2017-06-21 | | Last modified: | 2024-11-20 | | Method: | X-RAY DIFFRACTION (2.907 Å) | | Cite: | Quantification of the Impact of the HIV-1-Glycan Shield on Antibody Elicitation.
Cell Rep, 19, 2017
|
|
2I1M
 | | cFMS tyrosine kinase (tie2 KID) in complex with an arylamide inhibitor | | Descriptor: | 5-CYANO-FURAN-2-CARBOXYLIC ACID [5-HYDROXYMETHYL-2-(4-METHYL-PIPERIDIN-1-YL)-PHENYL]-AMIDE, Macrophage colony-stimulating factor 1 receptor | | Authors: | Schubert, C, Schalk-Hihi, C. | | Deposit date: | 2006-08-14 | | Release date: | 2006-11-28 | | Last modified: | 2024-02-21 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Crystal structure of the tyrosine kinase domain of colony-stimulating factor-1 receptor (cFMS) in complex with two inhibitors.
J.Biol.Chem., 282, 2007
|
|
2VIJ
 | | Human BACE-1 in complex with 3-(1,1-dioxidotetrahydro-2H-1,2-thiazin- 2-yl)-5-(ethylamino)-N-((1S,2R)-2-hydroxy-1-(phenylmethyl)-3-(1,2,3,4- tetrahydro-1-naphthalenylamino)propyl)benzamide | | Descriptor: | BETA-SECRETASE 1, N-{(1S,2R)-1-benzyl-2-hydroxy-3-[(1S)-1,2,3,4-tetrahydronaphthalen-1-ylamino]propyl}-3-(1,1-dioxido-1,2-thiazinan-2-yl)-5-(ethylamino)benzamide | | Authors: | Beswick, P, Charrier, N, Clarke, B, Demont, E, Dingwall, C, Dunsdon, R, Faller, A, Gleave, R, Hawkins, J, Hussain, I, Johnson, C.N, Macpherson, D, Maile, G, Matico, R, Milner, P, Mosley, J, Naylor, A, O'Brien, A, Redshaw, S, Riddell, D, Rowland, P, Skidmore, J, Soleil, V, Smith, K.J, Stanway, S, Stemp, G, Stuart, A, Sweitzer, S, Theobald, P, Vesey, D, Walter, D.S, Ward, J, Wayne, G. | | Deposit date: | 2007-12-04 | | Release date: | 2008-01-29 | | Last modified: | 2024-11-13 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | Bace-1 Inhibitors Part 3: Identification of Hydroxy Ethylamines (Heas) with Nanomolar Potency in Cells.
Bioorg.Med.Chem.Lett., 18, 2008
|
|
5RUB
 | | CRYSTALLOGRAPHIC REFINEMENT AND STRUCTURE OF RIBULOSE-1,5-BISPHOSPHATE CARBOXYLASE FROM RHODOSPIRILLUM RUBRUM AT 1.7 ANGSTROMS RESOLUTION | | Descriptor: | RUBISCO (RIBULOSE-1,5-BISPHOSPHATE CARBOXYLASE(SLASH)OXYGENASE) | | Authors: | Schneider, G, Lindqvist, Y, Lundqvist, T. | | Deposit date: | 1990-05-29 | | Release date: | 1991-10-15 | | Last modified: | 2024-03-06 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Crystallographic refinement and structure of ribulose-1,5-bisphosphate carboxylase from Rhodospirillum rubrum at 1.7 A resolution.
J.Mol.Biol., 211, 1990
|
|
2L18
 | |
2F70
 | | Protein tyrosine phosphatase 1B with sulfamic acid inhibitors | | Descriptor: | (3-{[3-(3-SULFOAMINO-PHENYL)-PROPIONYLAMINO]-METHYL}-PHENYL)-SULFAMIC ACID, CHLORIDE ION, MAGNESIUM ION, ... | | Authors: | Evdokimov, A.G, Pokross, M.E, Klopfenstein, S.R. | | Deposit date: | 2005-11-29 | | Release date: | 2005-12-13 | | Last modified: | 2023-08-23 | | Method: | X-RAY DIFFRACTION (2.12 Å) | | Cite: | 1,2,3,4-Tetrahydroisoquinolinyl sulfamic acids as phosphatase PTP1B inhibitors
Bioorg.Med.Chem.Lett., 16, 2006
|
|
2F6T
 | | Protein tyrosine phosphatase 1B with sulfamic acid inhibitors | | Descriptor: | 3(S)-METHYLCARBAMOYL-7-SULFOAMINO-3,4-DIHYDRO-1H-ISOQUINOLINE-2-CARBOXYLIC ACID TERT-BUTYL ESTER, CHLORIDE ION, MAGNESIUM ION, ... | | Authors: | Evdokimov, A.G, Pokross, M.E, Klopfenstein, S.R. | | Deposit date: | 2005-11-29 | | Release date: | 2005-12-13 | | Last modified: | 2023-08-23 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | 1,2,3,4-Tetrahydroisoquinolinyl sulfamic acids as phosphatase PTP1B inhibitors
Bioorg.Med.Chem.Lett., 16, 2006
|
|
3ZXZ
 | | X-ray Structure of PF-04217903 bound to the kinase domain of c-Met | | Descriptor: | 2-{4-[1-(QUINOLIN-6-YLMETHYL)-1H-[1,2,3]TRIAZOLO[4,5-B]PYRAZIN-6-YL]-1H-PYRAZOL-1-YL}ETHANOL, HEPATOCYTE GROWTH FACTOR RECEPTOR | | Authors: | McTigue, M, Grodsky, N, Ryan, K, Cui, J.J. | | Deposit date: | 2011-08-16 | | Release date: | 2011-08-31 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Discovery of a Novel Class of Exquisitely Selective Mesenchymal-Epithelial Transition Factor (C-met) Protein Kinase Inhibitors and Identification of the Clinical Candidate 2-(4-(1-(Quinolin-6-Ylmethyl)-1H-[1,2, 3]Triazolo[4,5-B]Pyrazin-6-Yl)-1H-Pyrazol-1-Yl)Ethanol (Pf-04217903) for the Treatment of Cancer.
J.Med.Chem., 55, 2012
|
|
3F53
 | |
3ZST
 | | GlgE isoform 1 from Streptomyces coelicolor with alpha-cyclodextrin bound | | Descriptor: | 1,2-ETHANEDIOL, Cyclohexakis-(1-4)-(alpha-D-glucopyranose), PUTATIVE GLUCANOHYDROLASE PEP1A GLGE ISOFORM 1 | | Authors: | Syson, K, Stevenson, C.E.M, Rejzek, M, Fairhurst, S.A, Nair, A, Bruton, C.J, Field, R.A, Chater, K.F, Lawson, D.M, Bornemann, S. | | Deposit date: | 2011-06-30 | | Release date: | 2011-09-14 | | Last modified: | 2024-05-01 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Structure of a Streptomyces Maltosyltransferase Glge: A Homologue of a Genetically Validated Anti-Tuberculosis Target.
J.Biol.Chem., 286, 2011
|
|
2C3Q
 | | Human glutathione-S-transferase T1-1 W234R mutant, complex with S- hexylglutathione | | Descriptor: | GLUTATHIONE S-TRANSFERASE THETA 1, IODIDE ION, S-HEXYLGLUTATHIONE | | Authors: | Tars, K, Larsson, A.-K, Shokeer, A, Olin, B, Mannervik, B, Kleywegt, G.J. | | Deposit date: | 2005-10-11 | | Release date: | 2005-11-30 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (1.85 Å) | | Cite: | Structural Basis of the Suppressed Catalytic Activity of Wild-Type Human Glutathione Transferase T1-1 Compared to its W234R Mutant.
J.Mol.Biol., 355, 2006
|
|
3SFI
 | | Ethionamide Boosters Part 2: Combining Bioisosteric Replacement and Structure-Based Drug Design to Solve Pharmacokinetic Issues in a Series of Potent 1,2,4-Oxadiazole EthR Inhibitors. | | Descriptor: | 5,5,5-trifluoro-1-{4-[3-(1,3-thiazol-2-yl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl}pentan-1-one, Transcriptional regulatory repressor protein (TETR-family) | | Authors: | Flipo, M, Desroses, M, Lecat-Guillet, N, Villemagne, B, Blondiaux, N, Leroux, F, Piveteau, C, Mathys, V, Flament, M.P, Siepmann, J, Villeret, V, Wohlkonig, A, Wintjens, R, Soror, S.H, Christophe, T, Jeon, H.K, Locht, C, Brodin, P, D prez, B, Baulard, A.R, Willand, N. | | Deposit date: | 2011-06-13 | | Release date: | 2011-12-07 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (2.31 Å) | | Cite: | Ethionamide Boosters. 2. Combining Bioisosteric Replacement and Structure-Based Drug Design To Solve Pharmacokinetic Issues in a Series of Potent 1,2,4-Oxadiazole EthR Inhibitors.
J.Med.Chem., 55, 2012
|
|
1A30
 | | HIV-1 PROTEASE COMPLEXED WITH A TRIPEPTIDE INHIBITOR | | Descriptor: | HIV-1 PROTEASE, TRIPEPTIDE GLU-ASP-LEU | | Authors: | Louis, J.M, Dyda, F, Nashed, N.T, Kimmel, A.R, Davies, D.R. | | Deposit date: | 1998-01-27 | | Release date: | 1998-04-29 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Hydrophilic peptides derived from the transframe region of Gag-Pol inhibit the HIV-1 protease.
Biochemistry, 37, 1998
|
|
6MN7
 | | Cryo-EM structure of BG505.SOSIP.664 in complex with BF520.1 antigen binding fragment | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, BF520.1 Fab variable region, ... | | Authors: | Williams, J.A, Lee, K.K, Overbaugh, J. | | Deposit date: | 2018-10-01 | | Release date: | 2019-03-06 | | Last modified: | 2024-11-20 | | Method: | ELECTRON MICROSCOPY (4.8 Å) | | Cite: | Kappa chain maturation helps drive rapid development of an infant HIV-1 broadly neutralizing antibody lineage.
Nat Commun, 10, 2019
|
|
4JY4
 | | Crystal structure of human Fab PGT121, a broadly reactive and potent HIV-1 neutralizing antibody | | Descriptor: | GLYCEROL, N-acetyl-alpha-neuraminic acid-(2-6)-beta-D-galactopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-2)-alpha-D-mannopyranose-(1-3)-[alpha-D-mannopyranose-(1-6)]beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, PGT121 heavy chain, ... | | Authors: | Julien, J.-P, Diwanji, D.C, Burton, D.R, Wilson, I.A. | | Deposit date: | 2013-03-29 | | Release date: | 2013-05-15 | | Last modified: | 2024-11-20 | | Method: | X-RAY DIFFRACTION (2.8 Å) | | Cite: | Broadly neutralizing antibody PGT121 allosterically modulates CD4 binding via recognition of the HIV-1 gp120 V3 base and multiple surrounding glycans.
Plos Pathog., 9, 2013
|
|
2F6V
 | | Protein tyrosine phosphatase 1B with sulfamic acid inhibitors | | Descriptor: | (3R)-METHYLCARBAMOYL-7-SULFOAMINO-3,4-DIHYDRO-1H-ISOQUINOLINE-2-CARBOXYLIC ACID BENZYL ESTER, CHLORIDE ION, MAGNESIUM ION, ... | | Authors: | Evdokimov, A.G, Pokross, M.E, Klopfenstein, S.R. | | Deposit date: | 2005-11-29 | | Release date: | 2005-12-13 | | Last modified: | 2023-08-23 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | 1,2,3,4-Tetrahydroisoquinolinyl sulfamic acids as phosphatase PTP1B inhibitors
Bioorg.Med.Chem.Lett., 16, 2006
|
|
2P7H
 | |
