6MET
 
 | | Structural basis of coreceptor recognition by HIV-1 envelope spike | | Descriptor: | 2-acetamido-2-deoxy-alpha-D-galactopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | | Authors: | Shaik, M.M, Chen, B. | | Deposit date: | 2018-09-07 | | Release date: | 2018-12-12 | | Last modified: | 2024-10-09 | | Method: | ELECTRON MICROSCOPY (4.5 Å) | | Cite: | Structural basis of coreceptor recognition by HIV-1 envelope spike.
Nature, 565, 2018
|
|
2VJ6
 | | Human BACE-1 in complex with N-((1S,2R)-3-(((1S)-2-(cyclohexylamino)- 1-methyl-2-oxoethyl)amino)-2-hydroxy-1-(phenylmethyl)propyl)-3-(ethylamino)-5-(2-oxo-1-pyrrolidinyl)benzamide | | Descriptor: | BETA-SECRETASE 1, N-[(1S,2R)-1-benzyl-3-{[(1S)-2-(cyclohexylamino)-1-methyl-2-oxoethyl]amino}-2-hydroxypropyl]-3-(ethylamino)-5-(2-oxopyrrolidin-1-yl)benzamide | | Authors: | Clarke, B, Demont, E, Dingwall, C, Dunsdon, R, Faller, A, Hawkins, J, Hussain, I, MacPherson, D, Maile, G, Matico, R, Milner, P, Mosley, J, Naylor, A, O'Brien, A, Redshaw, S, Riddell, D, Rowland, P, Soleil, V, Smith, K, Stanway, S, Stemp, G, Sweitzer, S, Theobald, P, Vesey, D, Walter, D.S, Ward, J, Wayne, G. | | Deposit date: | 2007-12-06 | | Release date: | 2008-01-29 | | Last modified: | 2024-11-13 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Bace-1 Inhibitors Part 2: Identification of Hydroxy Ethylamines (Heas) with Reduced Peptidic Character.
Bioorg.Med.Chem.Lett., 18, 2008
|
|
2VS3
 | | THE BINDING OF UDP-GALACTOSE BY AN ACTIVE SITE MUTANT OF alpha-1,3 GALACTOSYLTRANSFERASE (alpha3GT) | | Descriptor: | MANGANESE (II) ION, N-ACETYLLACTOSAMINIDE ALPHA-1,3-GALACTOSYLTRANSFERASE, URIDINE-5'-DIPHOSPHATE, ... | | Authors: | Tumbale, P, Jamaluddin, H, Thiyagarajan, N, Brew, K, Acharya, K.R. | | Deposit date: | 2008-04-18 | | Release date: | 2008-07-15 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Structural Basis of Udp-Galactose Binding by Alpha- 1,3-Galactosyltransferase (Alpha3Gt): Role of Negative Charge on Aspartic Acid 316 in Structure and Activity.
Biochemistry, 47, 2008
|
|
2HBO
 | |
2W5F
 | | High resolution crystallographic structure of the Clostridium thermocellum N-terminal endo-1,4-beta-D-xylanase 10B (Xyn10B) CBM22-1- GH10 modules complexed with xylohexaose | | Descriptor: | ACETATE ION, CADMIUM ION, ENDO-1,4-BETA-XYLANASE Y, ... | | Authors: | Najmudin, S, Pinheiro, B.A, Romao, M.J, Prates, J.A.M, Fontes, C.M.G.A. | | Deposit date: | 2008-12-10 | | Release date: | 2010-01-19 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Putting an N-Terminal End to the Clostridium Thermocellum Xylanase Xyn10B Story: Crystal Structure of the Cbm22-1-Gh10 Modules Complexed with Xylohexaose.
J.Struct.Biol., 172, 2010
|
|
1HVH
 | | NONPEPTIDE CYCLIC CYANOGUANIDINES AS HIV PROTEASE INHIBITORS | | Descriptor: | HIV-1 PROTEASE, {[4-R(-4-ALPHA,5-ALPHA,6-BETA,7-BETA)]-HEXAHYDRO-5,6-BIS(HYDROXY)-1,3-BIS(4-HYDROXYMETHYL)METHYL]-4,7-BIS(PHENYLMETHYL) -2H-1,3-DIAZEPIN-2-YLIDENE]CYANAMIDE} | | Authors: | Chang, C.-H. | | Deposit date: | 1997-12-13 | | Release date: | 1998-12-30 | | Last modified: | 2024-05-22 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Nonpeptide cyclic cyanoguanidines as HIV-1 protease inhibitors: synthesis, structure-activity relationships, and X-ray crystal structure studies.
J.Med.Chem., 41, 1998
|
|
4I0G
 | | Design and Synthesis of Thiophene Dihydroisoquinolins as Novel BACE-1 Inhibitors | | Descriptor: | 3-(4-bromothiophen-3-yl)-N-(6-chloro-3,3-dimethyl-3,4-dihydroisoquinolin-1-yl)-L-alanine, Beta-secretase 1, ZINC ION | | Authors: | Yao, N, Brecht, E. | | Deposit date: | 2012-11-16 | | Release date: | 2013-03-06 | | Last modified: | 2024-11-20 | | Method: | X-RAY DIFFRACTION (1.78 Å) | | Cite: | Structure-based design of novel dihydroisoquinoline BACE-1 inhibitors that do not engage the catalytic aspartates.
Bioorg.Med.Chem.Lett., 23, 2013
|
|
4HVP
 | | Structure of complex of synthetic HIV-1 protease with a substrate-based inhibitor at 2.3 Angstroms resolution | | Descriptor: | HIV-1 PROTEASE, N-{(2S)-2-[(N-acetyl-L-threonyl-L-isoleucyl)amino]hexyl}-L-norleucyl-L-glutaminyl-N~5~-[amino(iminio)methyl]-L-ornithinamide | | Authors: | Miller, M, Schneider, J, Sathyanarayana, B.K, Toth, M.V, Marshall, G.R, Clawson, L, Selk, L, Kent, S.B.H, Wlodawer, A. | | Deposit date: | 1989-08-08 | | Release date: | 1990-04-15 | | Last modified: | 2025-03-26 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Structure of complex of synthetic HIV-1 protease with a substrate-based inhibitor at 2.3 A resolution.
Science, 246, 1989
|
|
1HTF
 | |
1FJ9
 | | FRUCTOSE-1,6-BISPHOSPHATASE (MUTANT Y57W) PRODUCTS/ZN/AMP COMPLEX (T-STATE) | | Descriptor: | 6-O-phosphono-beta-D-fructofuranose, ADENOSINE MONOPHOSPHATE, FRUCTOSE-1,6-BISPHOSPHATASE, ... | | Authors: | Iancu, C.V, Choe, J.Y, Honzatko, R.B. | | Deposit date: | 2000-08-07 | | Release date: | 2000-10-18 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Tryptophan fluorescence reveals the conformational state of a dynamic loop in recombinant porcine fructose-1,6-bisphosphatase.
Biochemistry, 39, 2000
|
|
2J9K
 | | Atomic-resolution Crystal Structure of Chemically-Synthesized HIV-1 Protease Complexed with Inhibitor MVT-101 | | Descriptor: | ACETATE ION, GLYCEROL, N-{(2S)-2-[(N-acetyl-L-threonyl-L-isoleucyl)amino]hexyl}-L-norleucyl-L-glutaminyl-N~5~-[amino(iminio)methyl]-L-ornithinamide, ... | | Authors: | Malito, E, Shen, Y, Johnson, E.C.B, Tang, W.J. | | Deposit date: | 2006-11-11 | | Release date: | 2007-08-28 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (1.2 Å) | | Cite: | Insights from Atomic-Resolution X-Ray Structures of Chemically Synthesized HIV-1 Protease in Complex with Inhibitors.
J.Mol.Biol., 373, 2007
|
|
3NW5
 | | Crystal structure of insulin-like growth factor 1 receptor (IGF-1R-WT) complex with a carbon-linked proline isostere inhibitor (11B) | | Descriptor: | Insulin-like growth factor 1 receptor, N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-{(2R)-1-[(6-fluoropyridin-3-yl)carbonyl]pyrrolidin-2-yl}pyrrolo[2,1-f][1,2,4]triazin-4-amine | | Authors: | Sack, J.S. | | Deposit date: | 2010-07-09 | | Release date: | 2010-07-28 | | Last modified: | 2024-02-21 | | Method: | X-RAY DIFFRACTION (2.14 Å) | | Cite: | Proline isosteres in a series of 2,4-disubstituted pyrrolo[1,2-f][1,2,4]triazine inhibitors of IGF-1R kinase and IR kinase.
Bioorg.Med.Chem.Lett., 20, 2010
|
|
1CSN
 | | BINARY COMPLEX OF CASEIN KINASE-1 WITH MGATP | | Descriptor: | ADENOSINE-5'-TRIPHOSPHATE, CASEIN KINASE-1, MAGNESIUM ION, ... | | Authors: | Xu, R.-M, Cheng, X. | | Deposit date: | 1995-04-25 | | Release date: | 1995-07-31 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Crystal structure of casein kinase-1, a phosphate-directed protein kinase.
EMBO J., 14, 1995
|
|
1Z1R
 | | HIV-1 protease complexed with Macrocyclic peptidomimetic inhibitor 2 | | Descriptor: | 2-[(8S,11S)-11-{(1R)-1-HYDROXY-2-[ISOPENTYL(PHENYLSULFONYL)AMINO]ETHYL}-6,9-DIOXO-2-OXA-7,10-DIAZABICYCLO[11.2.2]HEPTADECA-1(15),13,16-TRIEN-8-YL]ACETAMIDE, Pol polyprotein, SULFATE ION | | Authors: | Martin, J.L, Begun, J, Schindeler, A, Wickramasinghe, W.A, Alewood, D, Alewood, P.F, Bergman, D.A, Brinkworth, R.I, Abbenante, G, March, D.R, Reid, R.C, Fairlie, D.P. | | Deposit date: | 2005-03-06 | | Release date: | 2005-03-22 | | Last modified: | 2023-11-15 | | Method: | X-RAY DIFFRACTION (1.85 Å) | | Cite: | Molecular recognition of macrocyclic peptidomimetic inhibitors by HIV-1 protease
Biochemistry, 38, 1999
|
|
1FAQ
 | |
4RFO
 | | Crystal structure of the ADCC-Potent Antibody N60-I3 Fab in complex with HIV-1 Clade A/E gp120 and M48u1 | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, HIV-1 clade A/E gp120, N60-i3 Fab heavy chain, ... | | Authors: | Tolbert, W.D, Gohain, N, Pazgier, M. | | Deposit date: | 2014-09-26 | | Release date: | 2015-07-15 | | Last modified: | 2023-12-06 | | Method: | X-RAY DIFFRACTION (3.2 Å) | | Cite: | Cocrystal Structures of Antibody N60-i3 and Antibody JR4 in Complex with gp120 Define More Cluster A Epitopes Involved in Effective Antibody-Dependent Effector Function against HIV-1.
J.Virol., 89, 2015
|
|
4BZO
 | | Crystal structure of PIM1 in complex with a Pyrrolo-Pyrazinone inhibitor | | Descriptor: | N-[(1S)-2-AMINO-1-PHENYLETHYL]-2-[(4S)-7-(2-FLUORO-4-PYRIDINYL)-1-OXO-1,2,3,4-TETRAHYDROPYRROLO[1,2-A]PYRAZIN-4-YL]ACETAMIDE, SERINE/THREONINE-PROTEIN KINASE PIM-1 | | Authors: | Casale, E, Casuscelli, F, Ardini, E, Avanzi, N, Cervi, G, D'Anello, M, Donati, D, Faiardi, D, Ferguson, R.D, Fogliatto, G, Galvani, A, Marsiglio, A, Mirizzi, D.G, Montemartini, M, Orrenius, C, Papeo, G, Piutti, C, Salom, B, Felder, E.R. | | Deposit date: | 2013-07-29 | | Release date: | 2013-10-30 | | Last modified: | 2024-11-13 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Discovery and Optimization of Pyrrolo[1,2-A]Pyrazinones Leads to Novel and Selective Inhibitors of Pim Kinases.
Bioorg.Med.Chem., 21, 2013
|
|
4CNC
 | | Crystal structure of human 5T4 (Wnt-activated inhibitory factor 1, Trophoblast glycoprotein) | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, DI(HYDROXYETHYL)ETHER, ... | | Authors: | Zhao, Y, Malinauskas, T, Harlos, K, Jones, E.Y. | | Deposit date: | 2014-01-21 | | Release date: | 2014-02-26 | | Last modified: | 2024-11-20 | | Method: | X-RAY DIFFRACTION (1.77 Å) | | Cite: | Structural Insights Into the Inhibition of Wnt Signaling by Cancer Antigen 5T4/Wnt-Activated Inhibitory Factor 1.
Structure, 22, 2014
|
|
1ZPA
 | | HIV Protease with Scripps AB-3 Inhibitor | | Descriptor: | Pol polyprotein, TERT-BUTYL 4-[({[1-((1S,2R)-1-BENZYL-2-HYDROXY-3-{ISOBUTYL[(4-METHOXYPHENYL)SULFONYL]AMINO}PROPYL)-1H-1,2,3-TRIAZOL-4-YL]METHYL}AMINO)CARBONYL]BENZYLCARBAMATE | | Authors: | Brik, A, Alexandratos, J, Lin, Y.C, Elder, J.H, Olson, A.J, Wlodawer, A, Goodsell, D.S, Wong, C.H. | | Deposit date: | 2005-05-16 | | Release date: | 2005-05-31 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (2.02 Å) | | Cite: | 1,2,3-triazole as a peptide surrogate in the rapid synthesis of HIV-1 protease inhibitors
Chembiochem, 6, 2005
|
|
3RKK
 | | Crystal Structure of New Delhi Metallo-Beta-Lactamase-1 from Klebsiella pneumoniae | | Descriptor: | ACETIC ACID, Beta-lactamase NDM-1, GLYCEROL, ... | | Authors: | Kim, Y, Tesar, C, Jedrzejczak, R, Binkowski, T.A, Babnigg, G, Sacchettini, J, Joachimiak, A, Midwest Center for Structural Genomics (MCSG), Structures of Mtb Proteins Conferring Susceptibility to Known Mtb Inhibitors (MTBI) | | Deposit date: | 2011-04-18 | | Release date: | 2011-05-18 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (2.35 Å) | | Cite: | Structure of Apo- and Monometalated Forms of NDM-1 A Highly Potent Carbapenem-Hydrolyzing Metallo-beta-Lactamase
Plos One, 6, 2011
|
|
4AS5
 | | Structure of mouse inositol monophosphatase 1 | | Descriptor: | 1,2-ETHANEDIOL, GLYCEROL, INOSITOL MONOPHOSPHATASE 1, ... | | Authors: | Singh, N, Knight, M, Halliday, A.C, Lack, N.A, Lowe, E.D, Churchill, G.C. | | Deposit date: | 2012-04-27 | | Release date: | 2012-10-10 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (2.43 Å) | | Cite: | Cloning, Expression, Purification, Crystallization and X-Ray Analysis of Inositol Monophosphatase from Mus Musculus and Homo Sapiens.
Acta Crystallogr.,Sect.F, 68, 2012
|
|
1GL4
 | | Nidogen-1 G2/Perlecan IG3 Complex | | Descriptor: | 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, BASEMENT MEMBRANE-SPECIFIC HEPARAN SULFATE PROTEOGLYCAN CORE PROTEIN, NIDOGEN-1, ... | | Authors: | Kvansakul, M, Hopf, M, Ries, A, Timpl, R, Hohenester, E. | | Deposit date: | 2001-08-23 | | Release date: | 2001-11-28 | | Last modified: | 2024-10-23 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Structural Basis for the High-Affinity Interaction of Nidogen-1 with Immunoglobulin-Like Domain 3 of Perlecan
Embo J., 20, 2001
|
|
3ERP
 | | Structure of IDP01002, a putative oxidoreductase from and essential gene of Salmonella typhimurium | | Descriptor: | 1,2-ETHANEDIOL, CACODYLATE ION, CHLORIDE ION, ... | | Authors: | Singer, A.U, Minasov, G, Evdokimova, E, Brunzelle, J.S, Kudritska, M, Edwards, A.M, Anderson, W.F, Savchenko, A, Center for Structural Genomics of Infectious Diseases (CSGID) | | Deposit date: | 2008-10-02 | | Release date: | 2008-11-04 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (1.55 Å) | | Cite: | Structural and biochemical studies of novel aldo-keto reductases for the biocatalytic conversion of 3-hydroxybutanal to 1,3-butanediol.
Appl.Environ.Microbiol., 2017
|
|
4D1F
 | |
3O3B
 | | Human Class I MHC HLA-A2 in complex with the Peptidomimetic ELA-1.1 | | Descriptor: | Beta-2-microglobulin, GLYCEROL, HLA class I histocompatibility antigen, ... | | Authors: | Borbulevych, O.Y, Baker, B.M. | | Deposit date: | 2010-07-23 | | Release date: | 2010-12-08 | | Last modified: | 2024-11-20 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Crystal structures of HLA-A*0201 complexed with Melan-A/MART-1(26(27L)-35) peptidomimetics reveal conformational heterogeneity and highlight degeneracy of T cell recognition.
J.Med.Chem., 53, 2010
|
|
