8QHE
 
 | | Crystal structure IR-09 | | Descriptor: | 6-phosphogluconate dehydrogenase NADP-binding domain-containing protein, MAGNESIUM ION, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, ... | | Authors: | Levy, C.W. | | Deposit date: | 2023-09-07 | | Release date: | 2023-10-11 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | Biocatalysis in Drug Design: Engineered Reductive Aminases (RedAms) Are Used to Access Chiral Building Blocks with Multiple Stereocenters.
J.Am.Chem.Soc., 145, 2023
|
|
8TJ5
 | | Inner spoke ring of the yeast NPC | | Descriptor: | Nucleoporin 59, Nucleoporin NIC96, Nucleoporin NSP1, ... | | Authors: | Akey, C.W, Echeverria, I, Ouch, C, Fernandez-Martinez, J, Rout, M.P. | | Deposit date: | 2023-07-20 | | Release date: | 2023-10-11 | | Method: | ELECTRON MICROSCOPY (6.6 Å) | | Cite: | Implications of a multiscale structure of the yeast nuclear pore complex.
Mol.Cell, 83, 2023
|
|
8TIE
 | | Double nuclear outer ring of Nup84-complexes from the yeast NPC | | Descriptor: | NUP133 isoform 1, NUP145 isoform 1, Nucleoporin NUP120, ... | | Authors: | Akey, C.W, Echeverria, I, Ouch, C, Fernandez-Martinez, J, Rout, M.P. | | Deposit date: | 2023-07-19 | | Release date: | 2023-10-11 | | Method: | ELECTRON MICROSCOPY (8.1 Å) | | Cite: | Implications of a multiscale structure of the yeast nuclear pore complex.
Mol.Cell, 83, 2023
|
|
5NT7
 | |
3T30
 | |
3UOI
 | |
3UOF
 | | Mycobacterium tuberculosis bacterioferritin, BfrA | | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Bacterioferritin, FE (III) ION, ... | | Authors: | McMath, L.M, Goulding, C.W, TB Structural Genomics Consortium (TBSGC) | | Deposit date: | 2011-11-16 | | Release date: | 2012-11-21 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (2.902 Å) | | Cite: | Mycobacterium tuberculosis bacterioferritin, BfrA
To be Published
|
|
3SEM
 | | SEM5 SH3 DOMAIN COMPLEXED WITH PEPTOID INHIBITOR | | Descriptor: | SEX MUSCLE ABNORMAL PROTEIN 5, SH3 PEPTOID INHIBITOR | | Authors: | Nguyen, J.T, Turck, C.W, Cohen, F.E, Zuckermann, R.N, Lim, W.A. | | Deposit date: | 1998-11-02 | | Release date: | 1999-01-06 | | Last modified: | 2023-11-15 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Exploiting the basis of proline recognition by SH3 and WW domains: design of N-substituted inhibitors.
Science, 282, 1998
|
|
3U06
 | | Crystal structure of the kinesin-14 NcdG347D | | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, GLYCEROL, MAGNESIUM ION, ... | | Authors: | Liu, H.-L, Pemble IV, C.W, Endow, S.A. | | Deposit date: | 2011-09-28 | | Release date: | 2012-03-07 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (2.35 Å) | | Cite: | Neck-motor interactions trigger rotation of the kinesin stalk.
Sci Rep, 2, 2012
|
|
3V3M
 | | Severe Acute Respiratory Syndrome Coronavirus (SARS-CoV) 3CL Protease in Complex with N-[(1R)-2-(tert-butylamino)-2-oxo-1-(pyridin-3-yl)ethyl]-N-(4-tert-butylphenyl)furan-2-carboxamide inhibitor. | | Descriptor: | 3C-like proteinase, DIMETHYL SULFOXIDE, N-[(1R)-2-(tert-butylamino)-2-oxo-1-(pyridin-3-yl)ethyl]-N-(4-tert-butylphenyl)furan-2-carboxamide | | Authors: | Jacobs, J, Grum-Tokars, V, Zhou, Y, Turlington, M, Saldanha, S.A, Chase, P, Eggler, A, Dawson, E.S, Baez-Santos, Y.M, Tomar, S, Mielech, A.M, Baker, S.C, Lindsley, C.W, Hodder, P, Mesecar, A, Stauffer, S.R. | | Deposit date: | 2011-12-13 | | Release date: | 2013-01-16 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (1.96 Å) | | Cite: | Discovery, Synthesis, And Structure-Based Optimization of a Series of N-(tert-Butyl)-2-(N-arylamido)-2-(pyridin-3-yl) Acetamides (ML188) as Potent Noncovalent Small Molecule Inhibitors of the Severe Acute Respiratory Syndrome Coronavirus (SARS-CoV) 3CL Protease.
J.Med.Chem., 56, 2013
|
|
6LVO
 | |
6M0Y
 | | KR-12 analog derived from human LL-37 | | Descriptor: | LYS-ARG-ILE-VAL-LYS-ARG-ILE-LYS-LYS-TRP-LEU-ARG | | Authors: | Yun, H, Min, H.J, Lee, C.W. | | Deposit date: | 2020-02-24 | | Release date: | 2021-02-24 | | Last modified: | 2024-05-15 | | Method: | SOLUTION NMR | | Cite: | NMR Structure and Bactericidal Activity of KR-12 Analog Derived from Human LL-37 as a Potential Cosmetic Preservative
To Be Published
|
|
6YJ6
 | | Structure of the TFIIIC subcomplex tauA | | Descriptor: | Transcription factor tau 131 kDa subunit, Transcription factor tau 55 kDa subunit, Transcription factor tau 95 kDa subunit,Transcription factor tau 95 kDa subunit | | Authors: | Vorlaender, M.K, Muller, C.W. | | Deposit date: | 2020-04-02 | | Release date: | 2020-09-16 | | Last modified: | 2024-05-22 | | Method: | ELECTRON MICROSCOPY (3.1 Å) | | Cite: | Structure of the TFIIIC subcomplex tau A provides insights into RNA polymerase III pre-initiation complex formation.
Nat Commun, 11, 2020
|
|
6N55
 | | Crystal structure of human uridine-cytidine kinase 2 complexed with 2'-azidouridine | | Descriptor: | 2'-azido-2'-deoxyuridine, GLYCEROL, PHOSPHATE ION, ... | | Authors: | Cuthbert, B.J, Nainar, S, Spitale, R.C, Goulding, C.W. | | Deposit date: | 2018-11-21 | | Release date: | 2019-11-27 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (3.085 Å) | | Cite: | An optimized chemical-genetic method for cell-specific metabolic labeling of RNA.
Nat.Methods, 17, 2020
|
|
5OMS
 | | Crystal structure of Amycolatopsis cytochrome P450 GcoA in complex with guaethol. | | Descriptor: | 2-ethoxyphenol, Cytochrome P450, PROTOPORPHYRIN IX CONTAINING FE | | Authors: | Mallinson, S.J.B, Johnson, C.W, Neidle, E.L, Beckham, G.T, McGeehan, J.E. | | Deposit date: | 2017-08-01 | | Release date: | 2018-07-04 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (1.95 Å) | | Cite: | A promiscuous cytochrome P450 aromatic O-demethylase for lignin bioconversion.
Nat Commun, 9, 2018
|
|
6N54
 | | Crystal structure of human uridine-cytidine kinase 2 complexed with 2'-azidocytidine monophosphate | | Descriptor: | 2'-azido-2'-deoxycytidine 5'-(dihydrogen phosphate), GLYCEROL, MAGNESIUM ION, ... | | Authors: | Cuthbert, B.J, Nainar, S, Spitale, R.C, Goulding, C.W. | | Deposit date: | 2018-11-21 | | Release date: | 2019-11-27 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (2.424 Å) | | Cite: | An optimized chemical-genetic method for cell-specific metabolic labeling of RNA.
Nat.Methods, 17, 2020
|
|
5OGX
 | | Crystal structure of Amycolatopsis cytochrome P450 reductase GcoB. | | Descriptor: | BROMIDE ION, Cytochrome P450 reductase, FE2/S2 (INORGANIC) CLUSTER, ... | | Authors: | Mallinson, S.J.B, Johnson, C.W, Neidle, E.L, Beckham, G.T, McGeehan, J.E. | | Deposit date: | 2017-07-13 | | Release date: | 2018-07-04 | | Last modified: | 2024-06-19 | | Method: | X-RAY DIFFRACTION (1.72 Å) | | Cite: | A promiscuous cytochrome P450 aromatic O-demethylase for lignin bioconversion.
Nat Commun, 9, 2018
|
|
6N53
 | | Crystal structure of human uridine-cytidine kinase 2 complexed with 2'-azidouridine monophosphate | | Descriptor: | 2'-deoxy-2'-triaza-1,2-dien-2-ium-1-yl-uridine-5'-monophosphate, GLYCEROL, MAGNESIUM ION, ... | | Authors: | Cuthbert, B.J, Nainar, S, Spitale, R.C, Goulding, C.W. | | Deposit date: | 2018-11-21 | | Release date: | 2019-11-27 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (2.7 Å) | | Cite: | An optimized chemical-genetic method for cell-specific metabolic labeling of RNA.
Nat.Methods, 17, 2020
|
|
5O4K
 | | Crystal structure of P450 CYP121 in complex with compound 6b. | | Descriptor: | 1-[(4-chlorophenyl)methyl]-4-(3-imidazol-1-ylpropyl)piperazin-2-one, Mycocyclosin synthase, PROTOPORPHYRIN IX CONTAINING FE, ... | | Authors: | Levy, C.W. | | Deposit date: | 2017-05-29 | | Release date: | 2018-03-28 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (1.5 Å) | | Cite: | Novel Aryl Substituted Pyrazoles as Small Molecule Inhibitors of Cytochrome P450 CYP121A1: Synthesis and Antimycobacterial Evaluation.
J. Med. Chem., 60, 2017
|
|
5OA1
 | | RNA polymerase I pre-initiation complex | | Descriptor: | ALA-ALA-ALA-ALA-ALA-ALA-ALA-ALA-ALA, ALA-ALA-ALA-ALA-ALA-ALA-ALA-ALA-ALA-ALA, ALA-ALA-ALA-ALA-ALA-ALA-ALA-ALA-ALA-ALA-ALA-ALA, ... | | Authors: | Sadian, Y, Tafur, L, Kosinski, J, Jakobi, A.J, Muller, C.W. | | Deposit date: | 2017-06-20 | | Release date: | 2017-07-26 | | Last modified: | 2018-10-24 | | Method: | ELECTRON MICROSCOPY (4.4 Å) | | Cite: | Structural insights into transcription initiation by yeast RNA polymerase I.
EMBO J., 36, 2017
|
|
5OMU
 | | Crystal structure of Amycolatopsis cytochrome P450 GcoA in complex with syringol | | Descriptor: | 2,6-dimethoxyphenol, Cytochrome P450, PROTOPORPHYRIN IX CONTAINING FE | | Authors: | Mallinson, S.J.B, Johnson, C.W, Neidle, E.L, Beckham, G.T, McGeehan, J.E. | | Deposit date: | 2017-08-01 | | Release date: | 2018-07-04 | | Last modified: | 2024-06-19 | | Method: | X-RAY DIFFRACTION (1.95 Å) | | Cite: | A promiscuous cytochrome P450 aromatic O-demethylase for lignin bioconversion.
Nat Commun, 9, 2018
|
|
5OP9
 | | The crystal structure of P450 CYP121 in complex with lead compound 7e | | Descriptor: | 4-(imidazol-1-ylmethyl)-3-(4-methoxyphenyl)-1-phenyl-pyrazole, Mycocyclosin synthase, PROTOPORPHYRIN IX CONTAINING FE, ... | | Authors: | Levy, C.W. | | Deposit date: | 2017-08-09 | | Release date: | 2018-03-28 | | Last modified: | 2024-05-01 | | Method: | X-RAY DIFFRACTION (1.455 Å) | | Cite: | Novel Aryl Substituted Pyrazoles as Small Molecule Inhibitors of Cytochrome P450 CYP121A1: Synthesis and Antimycobacterial Evaluation.
J. Med. Chem., 60, 2017
|
|
5OPA
 | | The crystal structure of P450 CYP121 in complex with lead compound 7b | | Descriptor: | 3-(4-fluorophenyl)-4-(imidazol-1-ylmethyl)-1-phenyl-pyrazole, DI(HYDROXYETHYL)ETHER, Mycocyclosin synthase, ... | | Authors: | Levy, C.W. | | Deposit date: | 2017-08-09 | | Release date: | 2018-03-28 | | Last modified: | 2024-05-01 | | Method: | X-RAY DIFFRACTION (1.345 Å) | | Cite: | Novel Aryl Substituted Pyrazoles as Small Molecule Inhibitors of Cytochrome P450 CYP121A1: Synthesis and Antimycobacterial Evaluation.
J. Med. Chem., 60, 2017
|
|
6OU9
 | | Asymmetric focused reconstruction of human norovirus GI.7 Houston strain VLP asymmetric unit in T=3 symmetry | | Descriptor: | Major capsid protein | | Authors: | Jung, J, Grant, T, Thomas, D.R, Diehnelt, C.W, Grigorieff, N, Joshua-Tor, L. | | Deposit date: | 2019-05-04 | | Release date: | 2019-06-26 | | Last modified: | 2024-03-20 | | Method: | ELECTRON MICROSCOPY (3.2 Å) | | Cite: | High-resolution cryo-EM structures of outbreak strain human norovirus shells reveal size variations.
Proc.Natl.Acad.Sci.USA, 116, 2019
|
|
6OUT
 | | Asymmetric focused reconstruction of human norovirus GI.1 Norwalk strain VLP asymmetric unit in T=3 symmetry | | Descriptor: | Capsid protein VP1 | | Authors: | Jung, J, Grant, T, Thomas, D.R, Diehnelt, C.W, Grigorieff, N, Joshua-Tor, L. | | Deposit date: | 2019-05-05 | | Release date: | 2019-06-26 | | Last modified: | 2024-03-20 | | Method: | ELECTRON MICROSCOPY (2.6 Å) | | Cite: | High-resolution cryo-EM structures of outbreak strain human norovirus shells reveal size variations.
Proc.Natl.Acad.Sci.USA, 116, 2019
|
|
