6VZB
| Crystal structure of cytochrome P450 NasF5053 S284A-V288A mutant variant from Streptomyces sp. NRRL F-5053 in the cyclo-L-Trp-L-Pro-bound state | Descriptor: | (3S,8aS)-3-(1H-indol-3-ylmethyl)hexahydropyrrolo[1,2-a]pyrazine-1,4-dione, PROTOPORPHYRIN IX CONTAINING FE, SODIUM ION, ... | Authors: | Luo, Z, Jia, X, Sun, C, Qu, X, Kobe, B. | Deposit date: | 2020-02-28 | Release date: | 2020-11-11 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (1.68 Å) | Cite: | Molecular basis of regio- and stereo-specificity in biosynthesis of bacterial heterodimeric diketopiperazines. Nat Commun, 11, 2020
|
|
6VZA
| Crystal structure of cytochrome P450 NasF5053 Q65I-A86G mutant variant from Streptomyces sp. NRRL F-5053 in the cyclo-L-Trp-L-Pro-bound state | Descriptor: | (3S,8aS)-3-(1H-indol-3-ylmethyl)hexahydropyrrolo[1,2-a]pyrazine-1,4-dione, CALCIUM ION, CHLORIDE ION, ... | Authors: | Luo, Z, Jia, X, Sun, C, Qu, X, Kobe, B. | Deposit date: | 2020-02-28 | Release date: | 2020-11-11 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (1.47 Å) | Cite: | Molecular basis of regio- and stereo-specificity in biosynthesis of bacterial heterodimeric diketopiperazines. Nat Commun, 11, 2020
|
|
6VXV
| Crystal structure of cyclo-L-Trp-L-Pro-bound cytochrome P450 NasF5053 from Streptomyces sp. NRRL F-5053 | Descriptor: | (3S,8aS)-3-(1H-indol-3-ylmethyl)hexahydropyrrolo[1,2-a]pyrazine-1,4-dione, CALCIUM ION, PROTOPORPHYRIN IX CONTAINING FE, ... | Authors: | Luo, Z, Jia, X, Sun, C, Qu, X, Kobe, B. | Deposit date: | 2020-02-24 | Release date: | 2020-11-11 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Molecular basis of regio- and stereo-specificity in biosynthesis of bacterial heterodimeric diketopiperazines. Nat Commun, 11, 2020
|
|
6W0S
| Crystal structure of substrate free cytochrome P450 NasF5053 from Streptomyces sp. NRRL F-5053 | Descriptor: | BROMIDE ION, CHLORIDE ION, GLYCEROL, ... | Authors: | Luo, Z, Jia, X, Sun, C, Qu, X, Kobe, B. | Deposit date: | 2020-03-02 | Release date: | 2020-11-11 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Molecular basis of regio- and stereo-specificity in biosynthesis of bacterial heterodimeric diketopiperazines. Nat Commun, 11, 2020
|
|
5EJL
| MrkH, A novel c-di-GMP dependence transcription regulatory factor. | Descriptor: | 1,2-ETHANEDIOL, 9,9'-[(2R,3R,3aS,5S,7aR,9R,10R,10aS,12S,14aR)-3,5,10,12-tetrahydroxy-5,12-dioxidooctahydro-2H,7H-difuro[3,2-d:3',2'-j][1,3,7,9,2,8]tetraoxadiphosphacyclododecine-2,9-diyl]bis(2-amino-1,9-dihydro-6H-purin-6-one), Klebsiella pneumoniae genome assembly NOVST, ... | Authors: | Wang, F, Zhu, D, Gu, L. | Deposit date: | 2015-11-02 | Release date: | 2016-10-19 | Last modified: | 2024-03-20 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | The PilZ domain of MrkH represents a novel DNA binding motif Protein Cell, 7, 2016
|
|
7SSM
| Crystal structure of human STING R232 in complex with compound 11 | Descriptor: | 2-({[(8R)-pyrazolo[1,5-a]pyrimidine-3-carbonyl]amino}methyl)-1-benzofuran-7-carboxylic acid, Stimulator of interferon genes protein | Authors: | Sack, J.S, Critton, D.A. | Deposit date: | 2021-11-11 | Release date: | 2022-02-09 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.96 Å) | Cite: | Discovery of Non-Nucleotide Small-Molecule STING Agonists via Chemotype Hybridization. J.Med.Chem., 65, 2022
|
|
2PKG
| |
6AZW
| IDO1/FXB-001116 crystal structure | Descriptor: | (2R)-N-(4-cyanophenyl)-2-[cis-4-(quinolin-4-yl)cyclohexyl]propanamide, Indoleamine 2,3-dioxygenase 1 | Authors: | Lewis, H.A, Lammens, A, Steinbacher, S. | Deposit date: | 2017-09-13 | Release date: | 2018-03-21 | Last modified: | 2023-08-16 | Method: | X-RAY DIFFRACTION (2.78 Å) | Cite: | Immune-modulating enzyme indoleamine 2,3-dioxygenase is effectively inhibited by targeting its apo-form. Proc. Natl. Acad. Sci. U.S.A., 115, 2018
|
|
1PSJ
| ACIDIC PHOSPHOLIPASE A2 FROM AGKISTRODON HALYS PALLAS | Descriptor: | CALCIUM ION, PHOSPHOLIPASE A2 | Authors: | Wang, X.Q, Lin, Z.J. | Deposit date: | 1995-05-24 | Release date: | 1996-07-11 | Last modified: | 2024-06-05 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Crystal structure of an acidic phospholipase A2 from the venom of Agkistrodon halys pallas at 2.0 A resolution. J.Mol.Biol., 255, 1996
|
|
6AZU
| Holo IDO1 crystal structure | Descriptor: | Indoleamine 2,3-dioxygenase 1, PROTOPORPHYRIN IX CONTAINING FE, SULFATE ION | Authors: | Lewis, H.A, Yan, C. | Deposit date: | 2017-09-13 | Release date: | 2018-03-21 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (2.822 Å) | Cite: | Immune-modulating enzyme indoleamine 2,3-dioxygenase is effectively inhibited by targeting its apo-form. Proc. Natl. Acad. Sci. U.S.A., 115, 2018
|
|
6AZV
| IDO1/BMS-978587 crystal structure | Descriptor: | (1R,2S)-2-(4-[bis(2-methylpropyl)amino]-3-{[(4-methylphenyl)carbamoyl]amino}phenyl)cyclopropane-1-carboxylic acid, Indoleamine 2,3-dioxygenase 1 | Authors: | Lewis, H.A. | Deposit date: | 2017-09-13 | Release date: | 2018-03-21 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (2.755 Å) | Cite: | Immune-modulating enzyme indoleamine 2,3-dioxygenase is effectively inhibited by targeting its apo-form. Proc. Natl. Acad. Sci. U.S.A., 115, 2018
|
|
4LX4
| Crystal Structure Determination of Pseudomonas stutzeri endoglucanase Cel5A using a Twinned Data Set | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Endoglucanase(Endo-1,4-beta-glucanase)protein | Authors: | Dutoit, R, Delsaute, M, Berlemont, R, Van Elder, D, Galleni, M, Bauvois, C. | Deposit date: | 2013-07-29 | Release date: | 2014-07-30 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (1.556 Å) | Cite: | Crystal structure determination of Pseudomonas stutzeri A1501 endoglucanase Cel5A: the search for a molecular basis for glycosynthesis in GH5_5 enzymes. Acta Crystallogr D Struct Biol, 75, 2019
|
|
3T4A
| Structure of a truncated form of Staphylococcal Complement Inhibitor B bound to human C3c at 3.4 Angstrom resolution | Descriptor: | Complement C3 beta chain, Complement C3c alpha' chain fragment 1, Complement C3c alpha' chain fragment 2, ... | Authors: | Garcia, B.L, Geisbrecht, B.V, Summers, B.J. | Deposit date: | 2011-07-25 | Release date: | 2011-11-23 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (3.4 Å) | Cite: | Diversity in the C3b Convertase Contact Residues and Tertiary Structures of the Staphylococcal Complement Inhibitor (SCIN) Protein Family. J.Biol.Chem., 287, 2012
|
|
3T48
| |
7E12
| Crystal structure of PKAc-A11E complex | Descriptor: | MAGNESIUM ION, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER, THR-ARG-SER-GLU-ILE-ARG-ARG-ALA-SER-THR-ILE-GLU, ... | Authors: | Qin, J, Lin, L, Yuchi, Z. | Deposit date: | 2021-01-28 | Release date: | 2022-04-27 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.796 Å) | Cite: | Structures of PKA-phospholamban complexes reveal a mechanism of familial dilated cardiomyopathy. Elife, 11, 2022
|
|
7E11
| Crystal structure of PKAc-PLN R9C complex | Descriptor: | MAGNESIUM ION, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER, PLN, ... | Authors: | Qin, J, Lin, L, Yuchi, Z. | Deposit date: | 2021-01-28 | Release date: | 2022-04-27 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (3.43 Å) | Cite: | Structures of PKA-phospholamban complexes reveal a mechanism of familial dilated cardiomyopathy. Elife, 11, 2022
|
|
3QWR
| Crystal structure of IL-23 in complex with an adnectin | Descriptor: | ADNECTIN, Interleukin-12 subunit beta, Interleukin-23 subunit alpha, ... | Authors: | Wei, A, Sheriff, S. | Deposit date: | 2011-02-28 | Release date: | 2012-02-01 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (3.25 Å) | Cite: | Structures of adnectin/protein complexes reveal an expanded binding footprint. Structure, 20, 2012
|
|
3QWQ
| |
4EI4
| JAK1 kinase (JH1 domain) in complex with compound 20 | Descriptor: | (1R,3R)-3-(2-methylimidazo[4,5-d]pyrrolo[2,3-b]pyridin-1(8H)-yl)cyclohexanol, Tyrosine-protein kinase JAK1 | Authors: | Eigenbrot, C, Steffek, M. | Deposit date: | 2012-04-04 | Release date: | 2012-07-04 | Last modified: | 2023-12-06 | Method: | X-RAY DIFFRACTION (2.22 Å) | Cite: | Discovery and optimization of C-2 methyl imidazopyrrolopyridines as potent and orally bioavailable JAK1 inhibitors with selectivity over JAK2. J.Med.Chem., 55, 2012
|
|
4F08
| |
3T46
| |
3T49
| |
3T47
| |
4EHZ
| The Jak1 kinase domain in complex with inhibitor | Descriptor: | 1,2-ETHANEDIOL, 2-methyl-1-(piperidin-4-yl)-1,6-dihydroimidazo[4,5-d]pyrrolo[2,3-b]pyridine, Tyrosine-protein kinase JAK1 | Authors: | Lupardus, P.J, Steffek, M. | Deposit date: | 2012-04-04 | Release date: | 2012-07-04 | Last modified: | 2013-01-23 | Method: | X-RAY DIFFRACTION (2.174 Å) | Cite: | Discovery and optimization of C-2 methyl imidazopyrrolopyridines as potent and orally bioavailable JAK1 inhibitors with selectivity over JAK2. J.Med.Chem., 55, 2012
|
|
4F09
| |