6R9W
| Crystal structure of InhA in complex with AP-124 inhibitor | Descriptor: | (2~{S})-1-(benzimidazol-1-yl)-3-(2,3-dihydro-1~{H}-inden-5-yloxy)propan-2-ol, Enoyl-[acyl-carrier-protein] reductase [NADH], NICOTINAMIDE-ADENINE-DINUCLEOTIDE | Authors: | Takebayashi, Y, Hinchliffe, P, Spencer, J. | Deposit date: | 2019-04-04 | Release date: | 2019-12-25 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.75 Å) | Cite: | Discovery of New and Potent InhA Inhibitors as Antituberculosis Agents: Structure-Based Virtual Screening Validated by Biological Assays and X-ray Crystallography. J.Chem.Inf.Model., 60, 2020
|
|
6HQN
| Crystal structure of GcoA F169L bound to guaiacol | Descriptor: | Cytochrome P450, Guaiacol, PROTOPORPHYRIN IX CONTAINING FE | Authors: | Mallinson, S.J.B, Hinchen, D.J, Allen, M.D, Johnson, C.W, Beckham, G.T, McGeehan, J.E. | Deposit date: | 2018-09-25 | Release date: | 2019-07-03 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.87 Å) | Cite: | Enabling microbial syringol conversion through structure-guided protein engineering. Proc.Natl.Acad.Sci.USA, 116, 2019
|
|
8BO9
| NanoLuc-D9R/H57A/K89R mutant complexed with azacoelenterazine bound in intra-barrel catalytic site | Descriptor: | 3-(4-hydroxyphenyl)-8-[(4-hydroxyphenyl)methyl]-5-(phenylmethyl)-1$l^{4},4,7,8-tetrazabicyclo[4.3.0]nona-1(6),2,4-trien-9-one, Non structural polyprotein | Authors: | Marek, M, Janin, L.Y. | Deposit date: | 2022-11-15 | Release date: | 2023-09-27 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (3.1 Å) | Cite: | Illuminating the mechanism and allosteric behavior of NanoLuc luciferase. Nat Commun, 14, 2023
|
|
6HZ8
| Structure of McrBC without DNA binding domains (Class 4) | Descriptor: | 5-methylcytosine-specific restriction enzyme B, GUANOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, ... | Authors: | Itoh, Y, Nirwan, N, Saikrishnan, K, Amunts, A. | Deposit date: | 2018-10-22 | Release date: | 2019-07-24 | Last modified: | 2024-05-15 | Method: | ELECTRON MICROSCOPY (4.3 Å) | Cite: | Structure-based mechanism for activation of the AAA+ GTPase McrB by the endonuclease McrC. Nat Commun, 10, 2019
|
|
6HX0
| Cell wall binding domain of endolysin from Listeria phage A500. | Descriptor: | L-alanyl-D-glutamate peptidase | Authors: | Dunne, M, Taylor, N.M.I, Shen, Y, Loessner, M.J, Leiman, P.G. | Deposit date: | 2018-10-15 | Release date: | 2019-10-30 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.59 Å) | Cite: | Structural basis for recognition of bacterial cell wall teichoic acid by pseudo-symmetric SH3b-like repeats of a viral peptidoglycan hydrolase Chem Sci, 2020
|
|
7RRC
| IDO1 IN COMPLEX WITH COMPOUND 14 | Descriptor: | Indoleamine 2,3-dioxygenase 1, N-(4-fluorophenyl)-3-{4-[4-(hydroxymethyl)-6-(trifluoromethyl)pyridin-3-yl]phenyl}oxetane-3-carboxamide | Authors: | Lesburg, C.A. | Deposit date: | 2021-08-09 | Release date: | 2022-03-16 | Last modified: | 2022-05-11 | Method: | X-RAY DIFFRACTION (2.18 Å) | Cite: | Oxetane Promise Delivered: Discovery of Long-Acting IDO1 Inhibitors Suitable for Q3W Oral or Parenteral Dosing. J.Med.Chem., 65, 2022
|
|
7RRB
| IDO1 IN COMPLEX WITH COMPOUND 9 | Descriptor: | 3-[4-(6-cyclopropylpyridin-3-yl)phenyl]-N-(4-fluorophenyl)oxetane-3-carboxamide, Indoleamine 2,3-dioxygenase 1 | Authors: | Lesburg, C.A. | Deposit date: | 2021-08-09 | Release date: | 2022-03-16 | Last modified: | 2022-05-11 | Method: | X-RAY DIFFRACTION (2.69 Å) | Cite: | Oxetane Promise Delivered: Discovery of Long-Acting IDO1 Inhibitors Suitable for Q3W Oral or Parenteral Dosing. J.Med.Chem., 65, 2022
|
|
6HJO
| Myxococcus xanthus MglA bound to GDP | Descriptor: | GUANOSINE-5'-DIPHOSPHATE, Mutual gliding-motility protein MglA | Authors: | Varela, P.F, Cherfils, J. | Deposit date: | 2018-09-04 | Release date: | 2019-12-04 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.98 Å) | Cite: | MglA functions as a three-state GTPase to control movement reversals of Myxococcus xanthus. Nat Commun, 10, 2019
|
|
6S7H
| Human CD73 (5'-nucleotidase) in complex with PSB12489 (an AOPCP derivative) in the closed state | Descriptor: | (N6,N6)-methyl,benzyl-C2-chloro-(alpha,beta)-methylene-ADP, 5'-nucleotidase, CALCIUM ION, ... | Authors: | Pippel, J, Strater, N. | Deposit date: | 2019-07-04 | Release date: | 2020-07-22 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.85 Å) | Cite: | X-Ray Co-Crystal Structure Guides the Way to Subnanomolar Competitive Ecto-5'-Nucleotidase (CD73) Inhibitors for Cancer Immunotherapy Adv Ther, 2019
|
|
6HQM
| Crystal structure of GcoA F169I bound to guaiacol | Descriptor: | Cytochrome P450, Guaiacol, PROTOPORPHYRIN IX CONTAINING FE | Authors: | Mallinson, S.J.B, Hinchen, D.J, Allen, M.D, Johnson, C.W, Beckham, G.T, McGeehan, J.E. | Deposit date: | 2018-09-25 | Release date: | 2019-07-03 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.85 Å) | Cite: | Enabling microbial syringol conversion through structure-guided protein engineering. Proc.Natl.Acad.Sci.USA, 116, 2019
|
|
6HQO
| Crystal structure of GcoA F169S bound to guaiacol | Descriptor: | Cytochrome P450, Guaiacol, PROTOPORPHYRIN IX CONTAINING FE | Authors: | Mallinson, S.J.B, Hinchen, D.J, Allen, M.D, Johnson, C.W, Beckham, G.T, McGeehan, J.E. | Deposit date: | 2018-09-25 | Release date: | 2019-07-03 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Enabling microbial syringol conversion through structure-guided protein engineering. Proc.Natl.Acad.Sci.USA, 116, 2019
|
|
6HQL
| Crystal structure of GcoA F169H bound to guaiacol | Descriptor: | Cytochrome P450, Guaiacol, PROTOPORPHYRIN IX CONTAINING FE | Authors: | Mallinson, S.J.B, Hinchen, D.J, Allen, M.D, Johnson, C.W, Beckham, G.T, McGeehan, J.E. | Deposit date: | 2018-09-25 | Release date: | 2019-07-03 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.49 Å) | Cite: | Enabling microbial syringol conversion through structure-guided protein engineering. Proc.Natl.Acad.Sci.USA, 116, 2019
|
|
6HQT
| Crystal structure of GcoA F169V bound to syringol | Descriptor: | 2,6-dimethoxyphenol, Cytochrome P450, PROTOPORPHYRIN IX CONTAINING FE | Authors: | Mallinson, S.J.B, Hinchen, D.J, Allen, M.D, Johnson, C.W, Beckham, G.T, McGeehan, J.E. | Deposit date: | 2018-09-25 | Release date: | 2019-07-03 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.85 Å) | Cite: | Enabling microbial syringol conversion through structure-guided protein engineering. Proc.Natl.Acad.Sci.USA, 116, 2019
|
|
1H66
| CRYSTAL STRUCTURE OF HUMAN NAD[P]H-QUINONE OXIDOREDUCTASE CO WITH 2,5-diaziridinyl-3-hydroxyl-6-methyl-1,4-benzoquinone | Descriptor: | 2,5-DIAZIRIDIN-1-YL-3-(HYDROXYMETHYL)-6-METHYLCYCLOHEXA-2,5-DIENE-1,4-DIONE, FLAVIN-ADENINE DINUCLEOTIDE, NAD(P)H DEHYDROGENASE [QUINONE] 1 | Authors: | Faig, M, Bianchet, M.A, Winski, S, Ross, D, Amzel, L.M. | Deposit date: | 2001-06-06 | Release date: | 2001-09-05 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Structure-Based Development of Anticancer Drugs: Complexes of Nad(P)H:Quinone Oxidoreductase 1 with Chemotherapeutic Quinones Structure, 9, 2001
|
|
6HZ7
| Structure of McrBC without DNA binding domains (Class 3) | Descriptor: | 5-methylcytosine-specific restriction enzyme B, GUANOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, ... | Authors: | Itoh, Y, Nirwan, N, Saikrishnan, K, Amunts, A. | Deposit date: | 2018-10-22 | Release date: | 2019-07-24 | Last modified: | 2024-05-15 | Method: | ELECTRON MICROSCOPY (4.3 Å) | Cite: | Structure-based mechanism for activation of the AAA+ GTPase McrB by the endonuclease McrC. Nat Commun, 10, 2019
|
|
7RRD
| IDO1 IN COMPLEX WITH COMPOUND S-1 | Descriptor: | 3-[4-(1H-benzimidazol-2-yl)phenyl]-N-(4-fluorophenyl)oxetane-3-carboxamide, Indoleamine 2,3-dioxygenase 1 | Authors: | Lesburg, C.A. | Deposit date: | 2021-08-09 | Release date: | 2022-08-24 | Method: | X-RAY DIFFRACTION (2.76 Å) | Cite: | Oxetane promise delivered: discovery of long acting IDO1 inhibitors suitable for Q3W oral or parenteral dosing To Be Published
|
|
6HZ9
| Structure of McrBC without DNA binding domains (Class 5) | Descriptor: | 5-methylcytosine-specific restriction enzyme B, GUANOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, ... | Authors: | Itoh, Y, Nirwan, N, Saikrishnan, K, Amunts, A. | Deposit date: | 2018-10-22 | Release date: | 2019-07-24 | Last modified: | 2024-05-15 | Method: | ELECTRON MICROSCOPY (4.8 Å) | Cite: | Structure-based mechanism for activation of the AAA+ GTPase McrB by the endonuclease McrC. Nat Commun, 10, 2019
|
|
6QVV
| Structure and function of phenuiviridae cap snatching endonucleases | Descriptor: | GLYCEROL, MANGANESE (III) ION, RNA-dependent RNA polymerase, ... | Authors: | Reguera, J, Jones, R, Bragagniolo, G, Lessoued, S, Mate, M. | Deposit date: | 2019-03-05 | Release date: | 2019-09-25 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Structure and function of the Toscana virus cap-snatching endonuclease. Nucleic Acids Res., 47, 2019
|
|
6QW0
| Structure and function of toscana virus cap snatching endonucleases | Descriptor: | GLYCEROL, MANGANESE (III) ION, RNA-dependent RNA polymerase, ... | Authors: | Reguera, J, Jones, R, Bragagniolo, G, Lessoued, S, Mate, M. | Deposit date: | 2019-03-05 | Release date: | 2019-09-25 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | Structure and function of the Toscana virus cap-snatching endonuclease. Nucleic Acids Res., 47, 2019
|
|
8Q3J
| Crystal structure of mIL-38 in complex with a neutralizing Fab e04 fragment | Descriptor: | Fab e04 Heavy Chain (e04 HC), Fab e04 Light Chain (e04 LC), Interleukin-1 family member 10, ... | Authors: | Garcia-Pardo, J, Da Silva, P, Mora, J, Wiechmann, S, Putyrski, M, You, X, Kannt, A, Ernst, A, Brune, B, Weigert, A. | Deposit date: | 2023-08-04 | Release date: | 2024-08-14 | Last modified: | 2024-09-11 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Neutralizing IL-38 activates gamma delta T cell-dependent antitumor immunity and sensitizes for chemotherapy. J Immunother Cancer, 12, 2024
|
|
7WHD
| SARS-CoV-2 spike in complex with the ZB8 neutralizing antibody Fab (2u1d) | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Spike glycoprotein, ... | Authors: | Zeng, J.W, Wang, X.W, Ge, J.W, Wang, Z.Y. | Deposit date: | 2021-12-30 | Release date: | 2023-01-18 | Last modified: | 2023-09-06 | Method: | ELECTRON MICROSCOPY (2.65 Å) | Cite: | SARS-CoV-2 hijacks neutralizing dimeric IgA for nasal infection and injury in Syrian hamsters 1 . Emerg Microbes Infect, 12, 2023
|
|
8BXA
| Crystal structure of ribosome binding factor A (RbfA) from S. aureus | Descriptor: | Ribosome-binding factor A | Authors: | Fatkhullin, B, Bikmullin, A, Gabdulkhakov, A, Khusainov, I, Validov, S, Usachev, K, Yusupov, M. | Deposit date: | 2022-12-08 | Release date: | 2023-02-22 | Last modified: | 2024-06-19 | Method: | X-RAY DIFFRACTION (2.22 Å) | Cite: | Yet Another Similarity between Mitochondrial and Bacterial Ribosomal Small Subunit Biogenesis Obtained by Structural Characterization of RbfA from S. aureus. Int J Mol Sci, 24, 2023
|
|
7RE9
| TCR mimic antibody (Fab fragment) | Descriptor: | DI(HYDROXYETHYL)ETHER, Fab heavy chain, Fab light chain | Authors: | Dasgupta, M, Baker, B.M. | Deposit date: | 2021-07-12 | Release date: | 2022-07-27 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.77 Å) | Cite: | Validation and promise of a TCR mimic antibody for cancer immunotherapy of hepatocellular carcinoma. Sci Rep, 12, 2022
|
|
6EVG
| |
7RE8
| |