5COP
 
 | | X-ray crystal structure of wild type HIV-1 protease in complex with GRL-097 | | Descriptor: | (3R,3aS,4S,7aS)-3-hydroxyhexahydro-4H-furo[2,3-b]pyran-4-yl [(2S,3R)-4-{[(4-aminophenyl)sulfonyl](2-methylpropyl)amino}-3-hydroxy-1-(4-methoxyphenyl)butan-2-yl]carbamate, HIV-1 protease | | Authors: | Yedidi, R.S, Hayashi, H, Aoki, M, Das, D, Ghosh, A.K, Mitsuya, H. | | Deposit date: | 2015-07-20 | | Release date: | 2016-01-13 | | Last modified: | 2024-03-06 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | C-5-Modified Tetrahydropyrano-Tetrahydofuran-Derived Protease Inhibitors (PIs) Exert Potent Inhibition of the Replication of HIV-1 Variants Highly Resistant to Various PIs, including Darunavir.
J.Virol., 90, 2015
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1L8H
 | | DNA PROTECTION AND BINDING BY E. COLI DPS PROTEIN | | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, DNA PROTECTION DURING STARVATION PROTEIN, POTASSIUM ION | | Authors: | Luo, J, Liu, D, White, M.A, Fox, R.O. | | Deposit date: | 2002-03-20 | | Release date: | 2003-06-24 | | Last modified: | 2023-08-16 | | Method: | X-RAY DIFFRACTION (3.2 Å) | | Cite: | DNA Protection and Binding by E. Coli Dps Protein
To be Published
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6KHJ
 | | Supercomplex for electron transfer | | Descriptor: | 1,2-DI-O-ACYL-3-O-[6-DEOXY-6-SULFO-ALPHA-D-GLUCOPYRANOSYL]-SN-GLYCEROL, 1,2-DIPALMITOYL-PHOSPHATIDYL-GLYCEROLE, 1,2-DISTEAROYL-MONOGALACTOSYL-DIGLYCERIDE, ... | | Authors: | Pan, X, Cao, D, Xie, F, Zhang, X, Li, M. | | Deposit date: | 2019-07-15 | | Release date: | 2020-02-12 | | Last modified: | 2024-03-27 | | Method: | ELECTRON MICROSCOPY (3 Å) | | Cite: | Structural basis for electron transport mechanism of complex I-like photosynthetic NAD(P)H dehydrogenase.
Nat Commun, 11, 2020
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1L9K
 | | dengue methyltransferase | | Descriptor: | RNA-DIRECTED RNA POLYMERASE, S-ADENOSYL-L-HOMOCYSTEINE, SULFATE ION | | Authors: | Egloff, M.P, Benarroch, D, Selisko, B, Romette, J.L, Canard, B. | | Deposit date: | 2002-03-25 | | Release date: | 2003-03-25 | | Last modified: | 2024-02-14 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | An RNA cap (nucleoside-2'-O-) methyltransferase in the flavivirus RNA polymerase NS5: crystal structure and functional characterization
Embo J., 21, 2002
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5CSB
 | | The crystal structure of beta2-microglobulin D76N mutant at room temperature | | Descriptor: | Beta-2-microglobulin | | Authors: | de Rosa, M, Mota, C.S, de Sanctis, D, Bolognesi, M, Ricagno, S. | | Deposit date: | 2015-07-23 | | Release date: | 2016-08-10 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (1.719 Å) | | Cite: | Conformational dynamics in crystals reveal the molecular bases for D76N beta-2 microglobulin aggregation propensity.
Nat Commun, 9, 2018
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6JSN
 | | Crystal Structure of BACE1 in complex with N-{3-[(5R)-3-amino-5-methyl-9,9-dioxo-2,9lambda6-dithia-4-azaspiro[5.5]undec-3-en-5-yl]-4-fluorophenyl}-5-(fluoromethoxy)pyrazine-2-carboxamide | | Descriptor: | Beta-secretase 1, GLYCEROL, IODIDE ION, ... | | Authors: | Fujimoto, K, Matsuoka, E, Asada, N, Tadano, G, Yamamoto, T, Nakahara, K, Fuchino, K, Ito, H, Kanegawa, N, Moechars, D, Gijsen, H.J.M, Kusakabe, K.I. | | Deposit date: | 2019-04-08 | | Release date: | 2019-08-28 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (2.6 Å) | | Cite: | Structure-Based Design of Selective beta-Site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) Inhibitors: Targeting the Flap to Gain Selectivity over BACE2.
J.Med.Chem., 62, 2019
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5D10
 | | Kinase domain of cSrc in complex with RL236 | | Descriptor: | N-[4-({4-(4-methylpiperazin-1-yl)-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl}oxy)phenyl]prop-2-enamide, Proto-oncogene tyrosine-protein kinase Src | | Authors: | Becker, C, Mayer-Wrangowski, S.C, Julian, E, Rauh, D. | | Deposit date: | 2015-08-03 | | Release date: | 2015-09-02 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (2.7 Å) | | Cite: | Targeting Drug Resistance in EGFR with Covalent Inhibitors: A Structure-Based Design Approach.
J.Med.Chem., 58, 2015
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5CW9
 | | Crystal structure of De novo designed ferredoxin-ferredoxin domain insertion protein | | Descriptor: | De novo designed ferredoxin-ferredoxin domain insertion protein | | Authors: | DiMaio, F, King, I.C, Gleixner, J, Doyle, L, Stoddard, B, Baker, D. | | Deposit date: | 2015-07-28 | | Release date: | 2015-09-23 | | Last modified: | 2024-03-06 | | Method: | X-RAY DIFFRACTION (3.108 Å) | | Cite: | Precise assembly of complex beta sheet topologies from de novo designed building blocks.
Elife, 4, 2015
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5D6E
 | | Structure of human methionine aminopeptidase 2 with covalent spiroepoxytriazole inhibitor (-)-31b | | Descriptor: | (4R,7S)-7-hydroxy-1-(4-methoxybenzyl)-7-methyl-4,5,6,7-tetrahydro-1H-benzotriazol-4-yl propan-2-ylcarbamate, COBALT (II) ION, Methionine aminopeptidase 2, ... | | Authors: | Janowski, R, Miller, A.K, Niessing, D. | | Deposit date: | 2015-08-12 | | Release date: | 2016-01-13 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (1.49 Å) | | Cite: | Spiroepoxytriazoles Are Fumagillin-like Irreversible Inhibitors of MetAP2 with Potent Cellular Activity.
Acs Chem.Biol., 11, 2016
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1JMM
 | | Crystal structure of the V-region of Streptococcus mutans antigen I/II | | Descriptor: | SODIUM ION, protein I/II V-region | | Authors: | Troffer-Charlier, N, Ogier, J, Moras, D, Cavarelli, J. | | Deposit date: | 2001-07-19 | | Release date: | 2002-07-17 | | Last modified: | 2011-07-13 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Crystal Structure of the V-region of Streptococcus mutans Antigen I/II at 2.4 a Resolution Suggests a Sugar Preformed Binding Site
J.Mol.Biol., 318, 2002
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6K1J
 | | Human nucleosome core particle with H2A.X variant | | Descriptor: | CHLORIDE ION, DNA (145-MER), Histone H2AX, ... | | Authors: | Sharma, D, De Falco, L, Davey, C.A. | | Deposit date: | 2019-05-10 | | Release date: | 2020-01-15 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (2.85 Å) | | Cite: | PARP1 exhibits enhanced association and catalytic efficiency with gamma H2A.X-nucleosome.
Nat Commun, 10, 2019
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1JQI
 | | Crystal Structure of Rat Short Chain Acyl-CoA Dehydrogenase Complexed With Acetoacetyl-CoA | | Descriptor: | ACETOACETYL-COENZYME A, FLAVIN-ADENINE DINUCLEOTIDE, short chain acyl-CoA dehydrogenase | | Authors: | Battaile, K.P, Molin-Case, J, Paschke, R, Wang, M, Bennett, D, Vockley, J, Kim, J.-J.P. | | Deposit date: | 2001-08-07 | | Release date: | 2002-02-13 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (2.25 Å) | | Cite: | Crystal structure of rat short chain acyl-CoA dehydrogenase complexed with acetoacetyl-CoA: comparison with other acyl-CoA dehydrogenases.
J.Biol.Chem., 277, 2002
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5D4P
 | | Structure of CPII bound to ADP and bicarbonate, from Thiomonas intermedia K12 | | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, BICARBONATE ION, Putative Nitrogen regulatory protein P-II GlnB | | Authors: | Wheatley, N.M, Ngo, J, Cascio, D, Sawaya, M.R, Yeates, T.O. | | Deposit date: | 2015-08-08 | | Release date: | 2016-09-28 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | A PII-Like Protein Regulated by Bicarbonate: Structural and Biochemical Studies of the Carboxysome-Associated CPII Protein.
J.Mol.Biol., 428, 2016
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1JRE
 | | DNA PROTECTION AND BINDING BY E. COLI DPS PROTEIN | | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, CADMIUM ION, DNA PROTECTION DURING STARVATION PROTEIN | | Authors: | Luo, J, Liu, D, White, M.A, Fox, R.O. | | Deposit date: | 2001-08-13 | | Release date: | 2003-06-17 | | Last modified: | 2023-08-16 | | Method: | X-RAY DIFFRACTION (2.65 Å) | | Cite: | DNA Protection and Binding by E. Coli Dps Protein
To be Published
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1JTJ
 | | Solution structure of HIV-1Lai mutated SL1 hairpin | | Descriptor: | HIV-1Lai SL1 | | Authors: | Kieken, F, Arnoult, E, Barbault, F, Paquet, F, Huynh-Dinh, T, Paoletti, J, Genest, D, Lancelot, G. | | Deposit date: | 2001-08-21 | | Release date: | 2002-12-11 | | Last modified: | 2024-05-22 | | Method: | SOLUTION NMR | | Cite: | HIV-1(Lai) genomic RNA: combined used of NMR and molecular dynamics simulation for studying
the structure and internal dynamics of a mutated SL1 hairpin.
EUR.BIOPHYS.J., 31, 2002
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1JTO
 | | Degenerate interfaces in antigen-antibody complexes | | Descriptor: | Lysozyme, Vh Single-Domain Antibody | | Authors: | Decanniere, K, Transue, T.R, Desmyter, A, Maes, D, Muyldermans, S, Wyns, L. | | Deposit date: | 2001-08-21 | | Release date: | 2001-10-31 | | Last modified: | 2023-08-16 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Degenerate interfaces in antigen-antibody complexes.
J.Mol.Biol., 313, 2001
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5DBN
 | | Crystal structure of AtoDA complex | | Descriptor: | Acetate CoA-transferase subunit alpha, Acetate CoA-transferase subunit beta, CHLORIDE ION, ... | | Authors: | Arbing, M.A, Koo, C.W, Shin, A, Medrano-Soto, A, Eisenberg, D. | | Deposit date: | 2015-08-21 | | Release date: | 2016-08-24 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (2.549 Å) | | Cite: | Crystal structure of AtoDA complex
To Be Published
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1K0L
 | | Pseudomonas aeruginosa phbh R220Q free of p-OHB | | Descriptor: | FLAVIN-ADENINE DINUCLEOTIDE, P-HYDROXYBENZOATE HYDROXYLASE, SULFATE ION, ... | | Authors: | Wang, J, Ortiz-Maldonado, M, Entsch, B, Ballou, D, Gatti, D.L. | | Deposit date: | 2001-09-19 | | Release date: | 2002-02-27 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Protein and ligand dynamics in 4-hydroxybenzoate hydroxylase.
Proc.Natl.Acad.Sci.USA, 99, 2002
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1K22
 | | HUMAN THROMBIN-INHIBITOR COMPLEX | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Hirudin variant-2, Prothrombin, ... | | Authors: | Stubbs, M.T, Musil, D. | | Deposit date: | 2001-09-26 | | Release date: | 2002-05-08 | | Last modified: | 2020-07-29 | | Method: | X-RAY DIFFRACTION (1.93 Å) | | Cite: | Factorising ligand affinity: a combined thermodynamic and crystallographic study of trypsin and thrombin inhibition.
J.Mol.Biol., 313, 2001
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5CRL
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5CS7
 | | The crystal structure of wt beta2-microglobulin at room temperature | | Descriptor: | Beta-2-microglobulin | | Authors: | de Rosa, M, Mota, C.S, de Sanctis, D, Bolognesi, M, Ricagno, S. | | Deposit date: | 2015-07-23 | | Release date: | 2016-08-10 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Conformational dynamics in crystals reveal the molecular bases for D76N beta-2 microglobulin aggregation propensity.
Nat Commun, 9, 2018
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5CSY
 | | Disproportionating enzyme 1 from Arabidopsis - acarbose soak | | Descriptor: | 1,2-ETHANEDIOL, 4-alpha-glucanotransferase DPE1, chloroplastic/amyloplastic, ... | | Authors: | O'Neill, E.C, Stevenson, C.E.M, Tantanarat, K, Latousakis, D, Donaldson, M.I, Rejzek, M, Limpaseni, T, Smith, A.M, Field, R.A, Lawson, D.M. | | Deposit date: | 2015-07-23 | | Release date: | 2015-11-04 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (2.05 Å) | | Cite: | Structural Dissection of the Maltodextrin Disproportionation Cycle of the Arabidopsis Plastidial Disproportionating Enzyme 1 (DPE1).
J.Biol.Chem., 290, 2015
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5CUW
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6KHQ
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5CXV
 | | Structure of the human M1 muscarinic acetylcholine receptor bound to antagonist Tiotropium | | Descriptor: | (1R,2R,4S,5S,7S)-7-{[hydroxy(dithiophen-2-yl)acetyl]oxy}-9,9-dimethyl-3-oxa-9-azoniatricyclo[3.3.1.0~2,4~]nonane, 1,2-ETHANEDIOL, CHOLESTEROL HEMISUCCINATE, ... | | Authors: | Sun, B, Feng, D, Li, X, Kobilka, T.S, Kobilka, B.K. | | Deposit date: | 2015-07-29 | | Release date: | 2016-03-09 | | Last modified: | 2016-03-30 | | Method: | X-RAY DIFFRACTION (2.7 Å) | | Cite: | Crystal structures of the M1 and M4 muscarinic acetylcholine receptors.
Nature, 531, 2016
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