1UVQ
 
 | | Crystal structure of HLA-DQ0602 in complex with a hypocretin peptide | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, ACETIC ACID, GLYCINE, ... | | Authors: | Siebold, C, Hansen, B.E, Wyer, J.R, Harlos, K, Esnouf, R.E, Svejgaard, A, Bell, J.I, Strominger, J.L, Jones, E.Y, Fugger, L. | | Deposit date: | 2004-01-22 | | Release date: | 2004-02-05 | | Last modified: | 2020-07-29 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Crystal Structure of Hla-Dq0602 that Protects Against Type 1 Diabetes and Confers Strong Susceptibility to Narcolepsy
Proc.Natl.Acad.Sci.USA, 101, 2004
|
|
1TJG
 | | Crystal Structure of the broadly neutralizing anti-HIV-1 antibody 2F5 in complex with a gp41 7mer epitope | | Descriptor: | 1,2-ETHANEDIOL, Envelope glycoprotein GP41, FAB 2F5 Heavy Chain, ... | | Authors: | Ofek, G, Tang, M, Sambor, A, Katinger, H, Mascola, J.R, Wyatt, R, Kwong, P.D. | | Deposit date: | 2004-06-04 | | Release date: | 2004-10-05 | | Last modified: | 2023-08-23 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Structure and mechanistic analysis of the Anti-Human Immunodeficiency Virus Type 1 antibody 2F5 in complex with its gp41 epitope
J.Virol., 78, 2004
|
|
1SD2
 | | STRUCTURE OF HUMAN 5'-DEOXY-5'-METHYLTHIOADENOSINE PHOSPHORYLASE COMPLEXED WITH 5'-METHYLTHIOTUBERCIDIN | | Descriptor: | 2-(4-AMINO-PYRROLO[2,3-D]PYRIMIDIN-7-YL)-5-METHYLSULFANYLMETHYL-TETRAHYDRO-FURAN-3,4-DIOL, 5'-methylthioadenosine phosphorylase, SULFATE ION | | Authors: | Lee, J.E, Settembre, E.C, Cornell, K.A, Riscoe, M.K, Sufrin, J.R, Ealick, S.E, Howell, P.L. | | Deposit date: | 2004-02-12 | | Release date: | 2004-05-18 | | Last modified: | 2024-02-14 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Structural Comparison of MTA Phosphorylase and MTA/AdoHcy Nucleosidase Explains Substrate Preferences and Identifies Regions Exploitable for Inhibitor Design.
Biochemistry, 43, 2004
|
|
1SOU
 | | NMR structure of Aquifex aeolicus 5,10-methenyltetrahydrofolate synthetase: Northeast Structural Genomics Consortium Target QR46 | | Descriptor: | 5,10-methenyltetrahydrofolate synthetase | | Authors: | Cort, J.R, Chiang, Y, Acton, T, Wu, M, Montelione, G.T, Kennedy, M.A, Northeast Structural Genomics Consortium (NESG) | | Deposit date: | 2004-03-15 | | Release date: | 2004-06-22 | | Last modified: | 2024-05-22 | | Method: | SOLUTION NMR | | Cite: | NMR structure of Aquifex aeolicus 5,10-methenyltetrahydrofolate synthetase: Northeast Structural Genomics Consortium Target QR46
To be Published
|
|
1TJN
 | | Crystal structure of hypothetical protein af0721 from Archaeoglobus fulgidus | | Descriptor: | Sirohydrochlorin cobaltochelatase | | Authors: | Yin, J, Xu, X.L, Cuff, M, Walker, J.R, Edwards, A, Savchenko, A, James, M.N.G, Midwest Center for Structural Genomics (MCSG) | | Deposit date: | 2004-06-06 | | Release date: | 2004-09-07 | | Last modified: | 2024-02-14 | | Method: | X-RAY DIFFRACTION (2.01 Å) | | Cite: | Crystal structure of af0721: a hypothetical protein bearing sequence similarity with class II chelatases in cobalamin synthesis
To be Published
|
|
1TJI
 | | Crystal Structure of the broadly neutralizing anti-HIV-1 antibody 2F5 in complex with a gp41 17mer epitope | | Descriptor: | 1,2-ETHANEDIOL, Envelope Glycoprotein GP41, ISOPROPYL ALCOHOL, ... | | Authors: | Ofek, G, Tang, M, Sambor, A, Katinger, H, Mascola, J.R, Wyatt, R, Kwong, P.D. | | Deposit date: | 2004-06-04 | | Release date: | 2004-10-05 | | Last modified: | 2023-08-23 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Structure and mechanistic analysis of the Anti-Human Immunodeficiency Virus type 1 antibody 2F5 in complex with its gp41 epitope
J.Virol., 78, 2004
|
|
1T26
 | | Plasmodium falciparum lactate dehydrogenase complexed with NADH and 4-hydroxy-1,2,5-thiadiazole-3-carboxylic acid | | Descriptor: | 1,4-DIHYDRONICOTINAMIDE ADENINE DINUCLEOTIDE, 4-HYDROXY-1,2,5-THIADIAZOLE-3-CARBOXYLIC ACID, L-lactate dehydrogenase | | Authors: | Cameron, A, Read, J, Tranter, R, Winter, V.J, Sessions, R.B, Brady, R.L, Vivas, L, Easton, A, Kendrick, H, Croft, S.L, Barros, D, Lavandera, J.L, Martin, J.J, Risco, F, Garcia-Ochoa, S, Gamo, F.J, Sanz, L, Leon, L, Ruiz, J.R, Gabarro, R, Mallo, A, De Las Heras, F.G. | | Deposit date: | 2004-04-20 | | Release date: | 2004-05-11 | | Last modified: | 2023-08-23 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Identification and Activity of a Series of Azole-based Compounds with Lactate Dehydrogenase-directed Anti-malarial Activity.
J.Biol.Chem., 279, 2004
|
|
1T2E
 | | Plasmodium falciparum lactate dehydrogenase S245A, A327P mutant complexed with NADH and oxamate | | Descriptor: | 1,4-DIHYDRONICOTINAMIDE ADENINE DINUCLEOTIDE, GLYCEROL, L-lactate dehydrogenase, ... | | Authors: | Cameron, A, Read, J, Tranter, R, Winter, V.J, Sessions, R.B, Brady, R.L, Vivas, L, Easton, A, Kendrick, H, Croft, S.L, Barros, D, Lavandera, J.L, Martin, J.J, Risco, F, Garcia-Ochoa, S, Gamo, F.J, Sanz, L, Leon, L, Ruiz, J.R, Gabarro, R, Mallo, A, De Las Heras, F.G. | | Deposit date: | 2004-04-21 | | Release date: | 2004-05-11 | | Last modified: | 2023-08-23 | | Method: | X-RAY DIFFRACTION (1.85 Å) | | Cite: | Identification and Activity of a Series of Azole-based Compounds with Lactate Dehydrogenase-directed Anti-malarial Activity.
J.Biol.Chem., 279, 2004
|
|
1QW1
 | | Solution Structure of the C-Terminal Domain of DtxR residues 110-226 | | Descriptor: | Diphtheria toxin repressor | | Authors: | Wylie, G.P, Rangachari, V, Bienkiewicz, E.A, Love, J.F, Murphy, J.R, Logan, T.M. | | Deposit date: | 2003-08-29 | | Release date: | 2005-03-15 | | Last modified: | 2024-05-01 | | Method: | SOLUTION NMR | | Cite: | Prolylpeptide binding by the prokaryotic SH3-like domain of the diphtheria toxin repressor: a regulatory switch.
Biochemistry, 44, 2005
|
|
1QVP
 | | C terminal SH3-like domain from Diphtheria toxin Repressor residues 144-226. | | Descriptor: | Diphtheria toxin repressor | | Authors: | Wylie, G.P, Rangachari, V, Bienkiewicz, E.A, Marin, V, Bhattacharya, N, Love, J.F, Murphy, J.R, Logan, T.M. | | Deposit date: | 2003-08-28 | | Release date: | 2004-11-02 | | Last modified: | 2024-05-22 | | Method: | SOLUTION NMR | | Cite: | Prolylpeptide binding by the prokaryotic SH3-like domain of the diphtheria toxin repressor: a regulatory switch.
Biochemistry, 44, 2005
|
|
1QSN
 | | CRYSTAL STRUCTURE OF TETRAHYMENA GCN5 WITH BOUND COENZYME A AND HISTONE H3 PEPTIDE | | Descriptor: | COENZYME A, HISTONE H3, TGCN5 HISTONE ACETYL TRANSFERASE | | Authors: | Rojas, J.R, Trievel, R.C, Zhou, J, Mo, Y, Li, X, Berger, S.L, David Allis, C, Marmorstein, R. | | Deposit date: | 1999-06-22 | | Release date: | 1999-09-08 | | Last modified: | 2024-02-14 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Structure of Tetrahymena GCN5 bound to coenzyme A and a histone H3 peptide.
Nature, 401, 1999
|
|
1U71
 | | Understanding the Role of Leu22 Variants in Methotrexate Resistance: Comparison of Wild-type and Leu22Arg Variant Mouse and Human Dihydrofolate Reductase Ternary Crystal Complexes with Methotrexate and NADPH | | Descriptor: | 6-(2,5-DIMETHOXY-BENZYL)-5-METHYL-PYRIDO[2,3-D]PYRIMIDINE-2,4-DIAMINE, Dihydrofolate reductase, SULFATE ION | | Authors: | Cody, V, Luft, J.R, Pangborn, W. | | Deposit date: | 2004-08-02 | | Release date: | 2005-02-01 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Understanding the role of Leu22 variants in methotrexate resistance: comparison of wild-type and Leu22Arg variant mouse and human dihydrofolate reductase ternary crystal complexes with methotrexate and NADPH.
Acta Crystallogr.,Sect.D, 61, 2005
|
|
1UD7
 | | SOLUTION STRUCTURE OF THE DESIGNED HYDROPHOBIC CORE MUTANT OF UBIQUITIN, 1D7 | | Descriptor: | PROTEIN (UBIQUITIN CORE MUTANT 1D7) | | Authors: | Johnson, E.C, Lazar, G.A, Desjarlais, J.R, Handel, T.M. | | Deposit date: | 1999-04-07 | | Release date: | 1999-05-06 | | Last modified: | 2023-12-27 | | Method: | SOLUTION NMR | | Cite: | Solution structure and dynamics of a designed hydrophobic core variant of ubiquitin.
Structure Fold.Des., 7, 1999
|
|
1UT5
 | |
1UT8
 | |
1V1J
 | | Crystal structure of type II Dehydroquintae Dehydratase from Streptomyces coelicolor in complex with 3-fluoro | | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 2-ANHYDRO-3-FLUORO-QUINIC ACID, 3-DEHYDROQUINATE DEHYDRATASE | | Authors: | Roszak, A.W, Coggins, J.R, Lapthorn, A.J. | | Deposit date: | 2004-04-16 | | Release date: | 2005-01-26 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | (1R,4S,5R)-3-Fluoro-1,4,5-Trihydroxy-2-Cyclohexene-1-Carboxylic Acid: The Fluoro Analogue of the Enolate Intermediate in the Reaction Catalyzed by Type II Dehydroquinases
Org.Biomol.Chem., 2, 2004
|
|
1U11
 | | PurE (N5-carboxyaminoimidazole Ribonucleotide Mutase) from the acidophile Acetobacter aceti | | Descriptor: | CITRIC ACID, PurE (N5-carboxyaminoimidazole Ribonucleotide Mutase) | | Authors: | Settembre, E.C, Chittuluru, J.R, Mill, C.P, Kappock, T.J, Ealick, S.E. | | Deposit date: | 2004-07-14 | | Release date: | 2004-09-28 | | Last modified: | 2024-02-14 | | Method: | X-RAY DIFFRACTION (1.55 Å) | | Cite: | Acidophilic adaptations in the structure of Acetobacter aceti N5-carboxyaminoimidazole ribonucleotide mutase (PurE).
Acta Crystallogr.,Sect.D, 60, 2004
|
|
1U2Z
 | | Crystal structure of histone K79 methyltransferase Dot1p from yeast | | Descriptor: | Histone-lysine N-methyltransferase, H3 lysine-79 specific, S-ADENOSYL-L-HOMOCYSTEINE | | Authors: | Sawada, K, Yang, Z, Horton, J.R, Collins, R.E, Zhang, X, Cheng, X. | | Deposit date: | 2004-07-20 | | Release date: | 2004-09-07 | | Last modified: | 2024-03-13 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Structure of the conserved core of the yeast Dot1p, a nucleosomal histone H3 lysine 79 methyltransferase
J.Biol.Chem., 279, 2004
|
|
1W39
 | | Crystal structure of an artificial top component of turnip yellow mosaic virus | | Descriptor: | TURNIP YELLOW MOSAIC VIRUS EMPTY CAPSID | | Authors: | van Roon, A.M.M, Bink, H.H.J, Plaisier, J.R, Pleij, C.W.A, Abrahams, J.P, Pannu, N.S. | | Deposit date: | 2004-07-14 | | Release date: | 2004-08-16 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (3.75 Å) | | Cite: | Crystal Structure of an Empty Capsid of Turnip Yellow Mosaic Virus.
J.Mol.Biol., 341, 2004
|
|
4MNE
 | | Crystal structure of the BRAF:MEK1 complex | | Descriptor: | 7-fluoro-3-[(2-fluoro-4-iodophenyl)amino]-N-{[(2S)-2-hydroxypropyl]oxy}furo[3,2-c]pyridine-2-carboxamide, CHLORIDE ION, Dual specificity mitogen-activated protein kinase kinase 1, ... | | Authors: | Sudhamsu, J, Haling, J.R, Morales, T, Brandhuber, B, Hymowitz, S.G. | | Deposit date: | 2013-09-10 | | Release date: | 2014-06-18 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (2.8483 Å) | | Cite: | Structure of the BRAF-MEK Complex Reveals a Kinase Activity Independent Role for BRAF in MAPK Signaling.
Cancer Cell, 26, 2014
|
|
6RO3
 | | 2Yr-X: Lysozyme with Re Cluster 2 year on shelf | | Descriptor: | ACETATE ION, BROMIDE ION, CHLORIDE ION, ... | | Authors: | Brink, A, Helliwell, J.R. | | Deposit date: | 2019-05-10 | | Release date: | 2019-06-19 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.03 Å) | | Cite: | Formation of a highly dense tetra-rhenium cluster in a protein crystal and its implications in medical imaging.
Iucrj, 6, 2019
|
|
8UVL
 | | Crystal structure of selective IRE1a inhibitor 29 at the enzyme active site | | Descriptor: | 1,2-ETHANEDIOL, 1-phenyl-N-(2,3,6-trifluoro-4-{[(3M)-3-(2-{[(3R,5R)-5-fluoropiperidin-3-yl]amino}pyrimidin-4-yl)pyridin-2-yl]oxy}phenyl)methanesulfonamide, Serine/threonine-protein kinase/endoribonuclease IRE1 | | Authors: | Kiefer, J.R, Wallweber, H.A, Braun, M.-G, Wei, W, Jiang, F, Wang, W, Rudolph, J, Ashkenazi, A. | | Deposit date: | 2023-11-03 | | Release date: | 2024-05-29 | | Last modified: | 2024-06-26 | | Method: | X-RAY DIFFRACTION (2.43 Å) | | Cite: | Discovery of Potent, Selective, and Orally Available IRE1 alpha Inhibitors Demonstrating Comparable PD Modulation to IRE1 Knockdown in a Multiple Myeloma Model.
J.Med.Chem., 67, 2024
|
|
6S5Y
 | |
7MHT
 | | CYTOSINE-SPECIFIC METHYLTRANSFERASE HHAI/DNA COMPLEX | | Descriptor: | 5'-D(P*CP*CP*AP*TP*GP*AP*GP*CP*TP*GP*AP*C)-3', 5'-D(P*GP*TP*CP*AP*GP*CP*GP*CP*AP*TP*GP*G)-3', CYTOSINE-SPECIFIC METHYLTRANSFERASE HHAI, ... | | Authors: | O'Gara, M, Horton, J.R, Roberts, R.J, Cheng, X. | | Deposit date: | 1998-08-05 | | Release date: | 1998-11-30 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (2.87 Å) | | Cite: | Structures of HhaI methyltransferase complexed with substrates containing mismatches at the target base.
Nat.Struct.Biol., 5, 1998
|
|
4MNF
 | | Crystal structure of BRAF-V600E bound to GDC0879 | | Descriptor: | 2-{4-[(1E)-1-(hydroxyimino)-2,3-dihydro-1H-inden-5-yl]-3-(pyridin-4-yl)-1H-pyrazol-1-yl}ethanol, CHLORIDE ION, Serine/threonine-protein kinase B-raf | | Authors: | Sudhamsu, J, Haling, J.R, Morales, T, Brandhuber, B, Hymowitz, S.G. | | Deposit date: | 2013-09-10 | | Release date: | 2014-06-18 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (2.802 Å) | | Cite: | Structure of the BRAF-MEK Complex Reveals a Kinase Activity Independent Role for BRAF in MAPK Signaling.
Cancer Cell, 26, 2014
|
|
