5JB5
 
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5JLF
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5JD7
 | | PKG I's Carboxyl Terminal Cyclic Nucleotide Binding Domain (CNB-B) in a complex with PET-cGMP | | Descriptor: | 3-[(2S,4aR,6R,7R,7aS)-2,7-dihydroxy-2-oxotetrahydro-2H,4H-2lambda~5~-furo[3,2-d][1,3,2]dioxaphosphinin-6-yl]-6-phenyl-3,4-dihydro-9H-imidazo[1,2-a]purin-9-one, cGMP-dependent protein kinase 1 | | Authors: | Campbell, J.C, Sankaran, B, Kim, C.W. | | Deposit date: | 2016-04-15 | | Release date: | 2017-08-09 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (1.749 Å) | | Cite: | Structural Basis of Analog Specificity in PKG I and II.
ACS Chem. Biol., 12, 2017
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5JFU
 | | HIV-1 wild Type protease with GRL-007-14A (a Adamantane P1-Ligand with bis-THF in P2 and benzylamine in P1') | | Descriptor: | (3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-yl {(2S,3R)-4-{benzyl[(4-methoxyphenyl)sulfonyl]amino}-3-hydroxy-1-[(3R,5R,7R)-tricyclo[3.3.1.1~3,7~]decan-1-yl]butan-2-yl}carbamate, CHLORIDE ION, Protease | | Authors: | Wang, Y.-F, Agniswamy, J, Weber, I.T. | | Deposit date: | 2016-04-19 | | Release date: | 2016-09-21 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Probing Lipophilic Adamantyl Group as the P1-Ligand for HIV-1 Protease Inhibitors: Design, Synthesis, Protein X-ray Structural Studies, and Biological Evaluation.
J.Med.Chem., 59, 2016
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5JMG
 | | X-ray structure of the complex between bovine pancreatic ribonuclease and pentachlorocarbonyliridate(III) (4 days of soaking) | | Descriptor: | CARBON MONOXIDE, CHLORIDE ION, IRIDIUM ION, ... | | Authors: | Caterino, M, Petruk, A.A, Vergara, A, Ferraro, G, Merlino, A. | | Deposit date: | 2016-04-29 | | Release date: | 2016-07-27 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (1.85 Å) | | Cite: | Mapping the protein-binding sites for iridium(iii)-based CO-releasing molecules.
Dalton Trans, 45, 2016
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3JXU
 | | Crystal structure of the human 70kDa heat shock protein 1A (Hsp70-1) ATPase domain in complex with ADP and inorganic phosphate | | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, Heat shock 70 kDa protein 1, MAGNESIUM ION, ... | | Authors: | Wisniewska, M.M, Karlberg, T, Arrowsmith, C.H, Berglund, H, Bountra, C, Collins, R, Edwards, A.M, Flodin, S, Flores, A, Graslund, S, Hammarstrom, M, Johansson, A, Johansson, I, Kallas, A, Kraulis, P, Kotenyova, T, Kotzsch, A, Markova, N, Moche, M, Nielsen, T.K, Nordlund, P, Nyman, T, Persson, C, Roos, A.K, Siponen, M.I, Schutz, P, Svensson, L, Thorsell, A.G, Tresaugues, L, Van Den Berg, S, Wahlberg, E, Weigelt, J, Welin, M, Schuler, H, Structural Genomics Consortium (SGC) | | Deposit date: | 2009-09-21 | | Release date: | 2009-10-20 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (2.14 Å) | | Cite: | Crystal structures of the ATPase domains of four human Hsp70 isoforms: HSPA1L/Hsp70-hom, HSPA2/Hsp70-2, HSPA6/Hsp70B', and HSPA5/BiP/GRP78
Plos One, 5, 2010
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5XKW
 | | myoglobin mutant F43Y/F46Y | | Descriptor: | Myoglobin, PROTOPORPHYRIN IX CONTAINING FE | | Authors: | Yuan, H. | | Deposit date: | 2017-05-09 | | Release date: | 2018-05-16 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Rational design of artificial dye-decolorizing peroxidases using myoglobin by engineering Tyr/Trp in the heme center
Dalton Trans, 46, 2017
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3J8K
 | | Tilted state of actin, T2 | | Descriptor: | Actin, alpha skeletal muscle | | Authors: | Galkin, V.E, Orlova, A, Vos, M.R, Schroder, G.F, Egelman, E.H. | | Deposit date: | 2014-11-07 | | Release date: | 2015-01-14 | | Last modified: | 2024-02-21 | | Method: | ELECTRON MICROSCOPY (12 Å) | | Cite: | Near-atomic resolution for one state of f-actin.
Structure, 23, 2015
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3K5C
 | | Human BACE-1 complex with NB-216 | | Descriptor: | (4S)-4-[(1R)-1-hydroxy-2-({1-[3-(1-methylethyl)phenyl]cyclopropyl}amino)ethyl]-19-(methoxymethyl)-11-oxa-3,16-diazatricyclo[15.3.1.1~6,10~]docosa-1(21),6(22),7,9,17,19-hexaen-2-one, Beta-secretase 1 | | Authors: | Rondeau, J.-M. | | Deposit date: | 2009-10-07 | | Release date: | 2010-03-02 | | Last modified: | 2017-11-01 | | Method: | X-RAY DIFFRACTION (2.12 Å) | | Cite: | Macrocyclic BACE-1 inhibitors acutely reduce Abeta in brain after po application.
Bioorg.Med.Chem.Lett., 20, 2010
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3K1O
 | | Crystal structure of sterol 14-alpha demethylase (CYP51) from Trypanosoma cruzi in complex with a potential antichagasic drug, posaconazole | | Descriptor: | 2,5-anhydro-1,3,4-trideoxy-2-(2,4-difluorophenyl)-6-O-{4-[4-(4-{1-[(1S,2S)-1-ethyl-2-hydroxypropyl]-5-oxo-1,5-dihydro-4H-1,2,4-triazol-4-yl}phenyl)piperazin-1-yl]phenyl}-1-(1H-1,2,4-triazol-1-yl)-D-erythro-hexitol, PROTOPORPHYRIN IX CONTAINING FE, Sterol 14 alpha-demethylase | | Authors: | Lepesheva, G.I, Hargrove, T.Y, Anderson, S, Wawrzak, Z, Waterman, M.R. | | Deposit date: | 2009-09-28 | | Release date: | 2009-10-27 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (2.89 Å) | | Cite: | Structural Insights into Inhibition of Sterol 14{alpha}-Demethylase in the Human Pathogen Trypanosoma cruzi.
J.Biol.Chem., 285, 2010
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3K2L
 | | Crystal Structure of dual-specificity tyrosine phosphorylation regulated kinase 2 (DYRK2) | | Descriptor: | CHLORIDE ION, Dual specificity tyrosine-phosphorylation-regulated kinase 2, SODIUM ION, ... | | Authors: | Filippakopoulos, P, Myrianthopoulos, V, Soundararajan, M, Krojer, T, Hapka, E, Fedorov, O, Berridge, G, Wang, J, Shrestha, L, Pike, A.C.W, Ugochukwu, E, von Delft, F, Arrowsmith, C.H, Edwards, A, Weigelt, J, Bountra, C, Mikros, E, Knapp, S, Structural Genomics Consortium (SGC) | | Deposit date: | 2009-09-30 | | Release date: | 2009-10-13 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (2.36 Å) | | Cite: | Structures of Down Syndrome Kinases, DYRKs, Reveal Mechanisms of Kinase Activation and Substrate Recognition.
Structure, 21, 2013
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5X3Y
 | | Refined solution structure of musashi1 RBD2 | | Descriptor: | RNA-binding protein Musashi homolog 1 | | Authors: | Iwaoka, R, Nagata, T, Tsuda, K, Imai, T, Okano, H, Kobayashi, N, Katahira, M. | | Deposit date: | 2017-02-09 | | Release date: | 2017-12-13 | | Last modified: | 2024-05-01 | | Method: | SOLUTION NMR | | Cite: | Structural Insight into the Recognition of r(UAG) by Musashi-1 RBD2, and Construction of a Model of Musashi-1 RBD1-2 Bound to the Minimum Target RNA
Molecules, 22, 2017
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3K36
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5X7K
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5X5J
 | | Crystal structure of response regulator AdeR receiver domain | | Descriptor: | AdeR | | Authors: | Wen, Y. | | Deposit date: | 2017-02-16 | | Release date: | 2017-08-30 | | Last modified: | 2024-03-27 | | Method: | X-RAY DIFFRACTION (1.401 Å) | | Cite: | Mechanistic insight into how multidrug resistant Acinetobacter baumannii response regulator AdeR recognizes an intercistronic region.
Nucleic Acids Res., 45, 2017
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3K5U
 | | Identification, SAR Studies and X-ray Cocrystal Analysis of a Novel Furano-pyrimidine Aurora Kinase A Inhibitor | | Descriptor: | 2-[(5,6-DIPHENYLFURO[2,3-D]PYRIMIDIN-4-YL)AMINO]ETHANOL, Serine/threonine-protein kinase 6 | | Authors: | Wu, J.S, Leou, J.S, Coumar, M.S, Hsieh, H.P, Wu, S.Y. | | Deposit date: | 2009-10-08 | | Release date: | 2010-10-13 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (2.35 Å) | | Cite: | Identification, SAR studies, and X-ray co-crystallographic analysis of a novel furanopyrimidine aurora kinase A inhibitor
Chemmedchem, 5, 2010
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3JQ5
 | | Phospholipase A2 Prevents the Aggregation of Amyloid Beta Peptides: Crystal Structure of the Complex of Phospholipase A2 with Octapeptide Fragment of Amyloid Beta Peptide, Asp-Ala-Glu-Phe-Arg-His-Asp-Ser at 2 A Resolution | | Descriptor: | Amyloid Beta Peptide, CALCIUM ION, Phospholipase A2 isoform 3 | | Authors: | Mirza, Z, Vikram, G, Singh, N, Sinha, M, Bhushan, A, Sharma, S, Srinivasan, A, Kaur, P, Singh, T.P. | | Deposit date: | 2009-09-06 | | Release date: | 2009-09-29 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (2.03 Å) | | Cite: | Phospholipase A2 Prevents the Aggregation of Amyloid Beta Peptides: Crystal Structure of the Complex of Phospholipase A2 with Octapeptide Fragment of Amyloid Beta Peptide, Asp-Ala-Glu-Phe-Arg-His-Asp-Ser at 2 A Resolution
To be Published
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3K6I
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5XCO
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3K9Z
 | | Rational Design of a Structural and Functional Nitric Oxide Reductase | | Descriptor: | FE (II) ION, Myoglobin, PROTOPORPHYRIN IX CONTAINING FE | | Authors: | Yeung, N, Lin, Y.-W, Gao, Y.-G, Zhao, X, Russell, B.S, Lei, L, Miner, K.D, Robinson, H, Lu, Y. | | Deposit date: | 2009-10-16 | | Release date: | 2009-12-01 | | Last modified: | 2024-02-21 | | Method: | X-RAY DIFFRACTION (1.72 Å) | | Cite: | Rational design of a structural and functional nitric oxide reductase.
Nature, 462, 2009
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3J48
 | | Cryo-EM structure of Poliovirus 135S particles | | Descriptor: | Protein VP1, Protein VP2, Protein VP3 | | Authors: | Butan, C, Fiman, D.J, Hogle, J.M. | | Deposit date: | 2013-06-28 | | Release date: | 2013-12-04 | | Last modified: | 2024-02-21 | | Method: | ELECTRON MICROSCOPY (5.5 Å) | | Cite: | Cryo-Electron Microscopy Reconstruction Shows Poliovirus 135S Particles Poised for Membrane Interaction and RNA Release.
J.Virol., 88, 2014
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3JXJ
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3K1W
 | | New Classes of Potent and Bioavailable Human Renin Inhibitors | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetylamino-2-deoxy-alpha-L-idopyranose, 4-{4-[3-(2-bromo-5-fluorophenoxy)propyl]phenyl}-N-(2-chlorobenzyl)-N-cyclopropyl-1,2,5,6-tetrahydropyridine-3-carboxamide, ... | | Authors: | Prade, L. | | Deposit date: | 2009-09-29 | | Release date: | 2010-03-02 | | Last modified: | 2020-07-29 | | Method: | X-RAY DIFFRACTION (1.5 Å) | | Cite: | New classes of potent and bioavailable human renin inhibitors
Bioorg.Med.Chem.Lett., 19, 2009
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5XNT
 | | Structure of CYP106A2 from Bacillus sp. PAMC 23377 | | Descriptor: | Cytochrome P450 CYP106, PROTOPORPHYRIN IX CONTAINING FE | | Authors: | Lee, C.W, Kim, K.-H, Bikash, D, Park, S.-H, Park, H, Oh, T.-J, Lee, J.H. | | Deposit date: | 2017-05-24 | | Release date: | 2018-04-04 | | Method: | X-RAY DIFFRACTION (2.7 Å) | | Cite: | Crystal Structure and Functional Characterization of a Cytochrome P450 (BaCYP106A2) fromBacillussp. PAMC 23377.
J. Microbiol. Biotechnol., 27, 2017
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3K3I
 | | p38alpha bound to novel DGF-out compound PF-00215955 | | Descriptor: | (3S)-3-[4-(4-bromophenyl)-1H-imidazol-2-yl]-1,2,3,4-tetrahydroisoquinoline, 2-fluoro-4-[4-(4-fluorophenyl)-1H-pyrazol-3-yl]pyridine, Mitogen-activated protein kinase 14 | | Authors: | Kazmirski, S.L, DiNitto, J.P. | | Deposit date: | 2009-10-02 | | Release date: | 2009-11-17 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | The design, synthesis and potential utility of fluorescence probes that target DFG-out conformation of p38alpha for high throughput screening binding assay.
Chem.Biol.Drug Des., 74, 2009
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