4KJL
 
 | | Room Temperature N23PPS148A DHFR | | Descriptor: | Dihydrofolate reductase, FOLIC ACID, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE | | Authors: | van den Bedem, H, Bhabha, G, Yang, K, Wright, P.E, Fraser, J.S. | | Deposit date: | 2013-05-03 | | Release date: | 2013-08-21 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (1.38 Å) | | Cite: | Automated identification of functional dynamic contact networks from X-ray crystallography.
Nat.Methods, 10, 2013
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4KKE
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4K7F
 | | Newly identified epitope V60 from HBV core protein complexed with HLA-A*0201 | | Descriptor: | Beta-2-microglobulin, Core protein, HLA class I histocompatibility antigen, ... | | Authors: | Meng, S.D, Zhang, Y, Wu, Y, Qi, J.X. | | Deposit date: | 2013-04-17 | | Release date: | 2013-06-05 | | Last modified: | 2022-08-24 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | The L60V variation in hepatitis B virus core protein elicits new epitope-specific cytotoxic T lymphocytes and enhances viral replication.
J.Virol., 87, 2013
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5AFR
 | | N-terminal fragment of dynein heavy chain | | Descriptor: | DYNEIN HEAVY CHAIN, CYTOPLASMIC | | Authors: | Urnavicius, L, Zhang, K, Diamant, A.G, Motz, C, Schlager, M.A, Yu, M, Patel, N.A, Robinson, C.V, Carter, A.P. | | Deposit date: | 2015-01-23 | | Release date: | 2015-02-18 | | Last modified: | 2018-04-25 | | Method: | X-RAY DIFFRACTION (5 Å) | | Cite: | The Structure of the Dynactin Complex and its Interaction with Dynein.
Science, 347, 2015
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4K8I
 | | Crystal Structure of Staphylococcal Nuclease mutant I92V/V99L | | Descriptor: | Thermonuclease | | Authors: | Sanders, J.M, Latimer, E.C, Roeser, J.R, Janowska, K, Sakon, J, Stites, W.E. | | Deposit date: | 2013-04-18 | | Release date: | 2013-05-01 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Hydrophobic core mutants of Staphylococcal nuclease
To be Published
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6WLC
 | | Crystal Structure of NSP15 Endoribonuclease from SARS CoV-2 in the Complex with Uridine-5'-Monophosphate | | Descriptor: | 1,2-ETHANEDIOL, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, ACETATE ION, ... | | Authors: | Kim, Y, Maltseva, N, Jedrzejczak, R, Endres, M, Chang, C, Godzik, A, Michalska, K, Joachimiak, A, Center for Structural Genomics of Infectious Diseases (CSGID) | | Deposit date: | 2020-04-19 | | Release date: | 2020-04-29 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (1.82 Å) | | Cite: | Tipiracil binds to uridine site and inhibits Nsp15 endoribonuclease NendoU from SARS-CoV-2.
Commun Biol, 4, 2021
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6DUS
 | | Structure of Salmonella Effector SseK3 E258Q mutant | | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, ... | | Authors: | Chung, I.Y.W, Cygler, M. | | Deposit date: | 2018-06-21 | | Release date: | 2018-07-18 | | Last modified: | 2024-03-13 | | Method: | X-RAY DIFFRACTION (2.6 Å) | | Cite: | Salmonella Effectors SseK1 and SseK3 Target Death Domain Proteins in the TNF and TRAIL Signaling Pathways.
Mol.Cell Proteomics, 18, 2019
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4KQN
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4KEF
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4KSE
 | | Crystal structure of a HIV p51 (219-230) deletion mutant | | Descriptor: | 1,2-ETHANEDIOL, HIV p51 subunit | | Authors: | Zheng, X, Mueller, G.A, Derose, E.F, Pedersen, L.C, Gabel, S.A, Cuneo, M.J, Krahn, J.M, London, R.E. | | Deposit date: | 2013-05-17 | | Release date: | 2014-08-13 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (2.677 Å) | | Cite: | Selective unfolding of one Ribonuclease H domain of HIV reverse transcriptase is linked to homodimer formation.
Nucleic Acids Res., 42, 2014
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4KSH
 | | Dna gyrase atp binding domain of enterococcus faecalis in complex with a small molecule inhibitor (7-({4-[(3R)-3-AMINOPYRROLIDIN-1-YL]-5-CHLORO-6-ETHYL-7H-PYRROLO[2,3-D]PYRIMIDIN-2-YL}SULFANYL)-1,5-NAPHTHYRIDIN-1(4H)-OL) | | Descriptor: | 7-({4-[(3R)-3-aminopyrrolidin-1-yl]-5-chloro-6-ethyl-7H-pyrrolo[2,3-d]pyrimidin-2-yl}sulfanyl)-1,5-naphthyridin-1(4H)-ol, DNA gyrase subunit B, GLYCEROL | | Authors: | Bensen, D.C, Akers-Rodriguez, S, Tari, L.W. | | Deposit date: | 2013-05-17 | | Release date: | 2014-01-15 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | A new class of type iia topoisomerase inhibitors with broad-spectrum antibacterial activity
To be Published
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4ZSM
 | | BACE crystal structure with bicyclic aminothiazine fragment | | Descriptor: | (4aS,8aR)-4a,5,6,7,8,8a-hexahydro-4H-3,1-benzothiazin-2-amine, Beta-secretase 1, GLYCEROL | | Authors: | Timm, D.E. | | Deposit date: | 2015-05-13 | | Release date: | 2015-06-10 | | Last modified: | 2015-06-17 | | Method: | X-RAY DIFFRACTION (1.96 Å) | | Cite: | Preparation and biological evaluation of conformationally constrained BACE1 inhibitors.
Bioorg.Med.Chem., 23, 2015
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6D5P
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4K47
 | | Structure of the Streptococcus pneumoniae leucyl-tRNA synthetase editing domain bound to a benzoxaborole-AMP adduct | | Descriptor: | Leucine--tRNA ligase, SULFATE ION, [(1R,5R,6R,8S)-6-(6-aminopurin-9-yl)-3'-[(R)-oxidanyl(phenyl)methyl]spiro[2,4,7-trioxa-3-boranuidabicyclo[3.3.0]octane-3,9'-8-oxa-9-boranuidabicyclo[4.3.0]nona-1,3,5-triene]-8-yl]methyl dihydrogen phosphate | | Authors: | Hu, Q.H, Liu, R.J, Fang, Z.P, Zhang, J, Ding, Y.Y, Tan, M, Wang, M, Pan, W, Zhou, H.C, Wang, E.D. | | Deposit date: | 2013-04-12 | | Release date: | 2013-09-04 | | Last modified: | 2024-03-20 | | Method: | X-RAY DIFFRACTION (2.02 Å) | | Cite: | Discovery of a potent benzoxaborole-based anti-pneumococcal agent targeting leucyl-tRNA synthetase
Sci Rep, 3, 2013
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4K51
 | | Crystal Structure of the PCI domain of eIF3a | | Descriptor: | Eukaryotic translation initiation factor 3 subunit A | | Authors: | Khoshnevis, S, Neumann, P, Ficner, R. | | Deposit date: | 2013-04-12 | | Release date: | 2014-01-15 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (2.65 Å) | | Cite: | Structural integrity of the PCI domain of eIF3a/TIF32 is required for mRNA recruitment to the 43S pre-initiation complexes.
Nucleic Acids Res., 42, 2014
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4K70
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4K7N
 | | HUMAN PEROXIREDOXIN 5 with a fragment | | Descriptor: | 4-METHYLCATECHOL, Peroxiredoxin-5, mitochondrial | | Authors: | Guichou, J.F. | | Deposit date: | 2013-04-17 | | Release date: | 2014-04-23 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Comparing Binding Modes of Analogous Fragments Using NMR in Fragment-Based Drug Design: Application to PRDX5
Plos One, 9, 2014
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6D8B
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4K7W
 | | Crystal structure of Zn3-hUb(human ubiquitin) adduct from a solution 100 mM zinc acetate/1.3 mM hUb | | Descriptor: | 1,2-ETHANEDIOL, ACETATE ION, ZINC ION, ... | | Authors: | Fermani, S, Falini, G, Calvaresi, M, Bottoni, A, Arnesano, F, Natile, G. | | Deposit date: | 2013-04-17 | | Release date: | 2013-05-08 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (1.76 Å) | | Cite: | Conformational selection of ubiquitin quaternary structures driven by zinc ions.
Chemistry, 19, 2013
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4KNB
 | | C-Met in complex with OSI ligand | | Descriptor: | 7-[(1R)-1-(2,6-dichloro-3-fluorophenyl)ethoxy]-3-[1-(piperidin-4-yl)-1H-pyrazol-4-yl]furo[3,2-c]pyridin-6-amine, GAMMA-BUTYROLACTONE, Hepatocyte growth factor receptor | | Authors: | Wang, J, Steinig, A.G, Li, A.H, Chen, X, Dong, H, Ferraro, C, Jin, M, Kadalbajoo, M, Kleinberg, A, Stolz, K.M, Tavares-Greco, P.A, Wang, T, Albertella, M.R, Peng, Y, Crew, L, Kahler, J. | | Deposit date: | 2013-05-09 | | Release date: | 2014-04-30 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Novel 6-aminofuro[3,2-c]pyridines as potent, orally efficacious inhibitors of cMET and RON kinases.
Bioorg.Med.Chem.Lett., 23, 2013
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4K8E
 | | OYE1-W116V complexed with the aromatic product of (R)-carvone dismutation | | Descriptor: | 2-methyl-5-(prop-1-en-2-yl)phenol, CHLORIDE ION, DI(HYDROXYETHYL)ETHER, ... | | Authors: | Sullivan, B, Pompeu, Y.A, Stewart, J.D. | | Deposit date: | 2013-04-18 | | Release date: | 2013-10-09 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (1.269 Å) | | Cite: | X‑ray Crystallography Reveals How Subtle Changes Control the
Orientation of Substrate Binding in an Alkene Reductase
ACS CATALYSIS, 3, 2013
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4KNX
 | | Hin GlmU Bound to WG176 | | Descriptor: | Bifunctional protein GlmU, MAGNESIUM ION, SULFATE ION, ... | | Authors: | Doig, P, Kazmirski, S.L, Boriack-Sjodin, P.A. | | Deposit date: | 2013-05-10 | | Release date: | 2014-10-15 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Rational design of inhibitors of the bacterial cell wall synthetic enzyme GlmU using virtual screening and lead-hopping.
Bioorg.Med.Chem., 22, 2014
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4KO8
 | | Structure of p97 N-D1 R155H mutant in complex with ATPgS | | Descriptor: | MAGNESIUM ION, PHOSPHOTHIOPHOSPHORIC ACID-ADENYLATE ESTER, Transitional endoplasmic reticulum ATPase | | Authors: | Xia, D, Tang, W.K. | | Deposit date: | 2013-05-11 | | Release date: | 2013-11-13 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (1.98 Å) | | Cite: | Altered Intersubunit Communication Is the Molecular Basis for Functional Defects of Pathogenic p97 Mutants.
J.Biol.Chem., 288, 2013
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4KBA
 | | CK1d in complex with 9-[3-(4-fluorophenyl)-1-methyl-1H-pyrazol-4-yl]-2,3,4,5-tetrahydropyrido[2,3-f][1,4]oxazepine inhibitor | | Descriptor: | 9-[3-(4-fluorophenyl)-1-methyl-1H-pyrazol-4-yl]-2,3,4,5-tetrahydropyrido[2,3-f][1,4]oxazepine, Casein kinase I isoform delta, SULFATE ION | | Authors: | Liu, S. | | Deposit date: | 2013-04-23 | | Release date: | 2013-09-18 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (1.98 Å) | | Cite: | Ligand-protein interactions of selective casein kinase 1 delta inhibitors.
J.Med.Chem., 56, 2013
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4KDE
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