5LZ7
 
 | | Fragment-based inhibitors of Lipoprotein associated Phospholipase A2 | | Descriptor: | 2-fluoranyl-5-[2-[(4~{R})-4-methyl-2-oxidanylidene-4-phenyl-pyrrolidin-1-yl]ethoxy]benzenecarbonitrile, CHLORIDE ION, Platelet-activating factor acetylhydrolase | | Authors: | Woolford, A, Day, P. | | Deposit date: | 2016-09-29 | | Release date: | 2016-12-21 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Fragment-Based Approach to the Development of an Orally Bioavailable Lactam Inhibitor of Lipoprotein-Associated Phospholipase A2 (Lp-PLA2).
J. Med. Chem., 59, 2016
|
|
7JY2
 | | Z-DNA joint X-ray/Neutron | | Descriptor: | Chains: A,B | | Authors: | Harp, J.M, Coates, L, Egli, M. | | Deposit date: | 2020-08-28 | | Release date: | 2021-04-28 | | Last modified: | 2024-04-03 | | Method: | NEUTRON DIFFRACTION (1.5 Å), X-RAY DIFFRACTION | | Cite: | Water structure around a left-handed Z-DNA fragment analyzed by cryo neutron crystallography.
Nucleic Acids Res., 49, 2021
|
|
7KCS
 | | The crystal structure of 4-vinylbenzoate-bound wild-type CYP199A4 | | Descriptor: | 4-ethenylbenzoic acid, CHLORIDE ION, Cytochrome P450, ... | | Authors: | Coleman, T, Bruning, J.B, Bell, S.G. | | Deposit date: | 2020-10-07 | | Release date: | 2021-05-19 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (1.773 Å) | | Cite: | Understanding the Mechanistic Requirements for Efficient and Stereoselective Alkene Epoxidation by a Cytochrome P450 Enzyme
Acs Catalysis, 11, 2021
|
|
7K14
 | | Ternary soak structure of alkanesulfonate monooxygenase MsuD from Pseudomonas fluorescens with FMN and methanesulfonate | | Descriptor: | Alkanesulfonate monooxygenase, CHLORIDE ION, FLAVIN MONONUCLEOTIDE, ... | | Authors: | Liew, J.J.M, Dowling, D.P, El Saudi, I.M. | | Deposit date: | 2020-09-07 | | Release date: | 2021-05-26 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (2.75 Å) | | Cite: | Structures of the alkanesulfonate monooxygenase MsuD provide insight into C-S bond cleavage, substrate scope, and an unexpected role for the tetramer.
J.Biol.Chem., 297, 2021
|
|
7JYB
 | | Binary soak structure of alkanesulfonate monooxygenase MsuD from Pseudomonas fluorescens with FMN | | Descriptor: | Alkanesulfonate monooxygenase, FLAVIN MONONUCLEOTIDE, PHOSPHATE ION, ... | | Authors: | Liew, J.J.M, Dowling, D.P, El Saudi, I.M. | | Deposit date: | 2020-08-30 | | Release date: | 2021-05-26 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (2.76 Å) | | Cite: | Structures of the alkanesulfonate monooxygenase MsuD provide insight into C-S bond cleavage, substrate scope, and an unexpected role for the tetramer.
J.Biol.Chem., 297, 2021
|
|
7JW9
 | | Ternary cocrystal structure of alkanesulfonate monooxygenase MsuD from Pseudomonas fluorescens | | Descriptor: | Alkanesulfonate monooxygenase, FLAVIN MONONUCLEOTIDE, SODIUM ION, ... | | Authors: | Liew, J.J.M, Dowling, D.P. | | Deposit date: | 2020-08-25 | | Release date: | 2021-05-26 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (2.39 Å) | | Cite: | Structures of the alkanesulfonate monooxygenase MsuD provide insight into C-S bond cleavage, substrate scope, and an unexpected role for the tetramer.
J.Biol.Chem., 297, 2021
|
|
7BWR
 | | Mycobacterium smegmatis arabinosyltransferase complex EmbB2-AcpM2 in substrate DPA bound asymmetric "active state" | | Descriptor: | CALCIUM ION, Integral membrane indolylacetylinositol arabinosyltransferase EmbB, Meromycolate extension acyl carrier protein, ... | | Authors: | Gao, R.G, Zhang, L, Wang, Q, Rao, Z.H. | | Deposit date: | 2020-04-15 | | Release date: | 2020-05-27 | | Last modified: | 2024-03-27 | | Method: | ELECTRON MICROSCOPY (3.5 Å) | | Cite: | Cryo-EM snapshots of mycobacterial arabinosyltransferase complex EmbB2-AcpM2.
Protein Cell, 11, 2020
|
|
7K64
 | | Binary titrated soak structure of alkanesulfonate monooxygenase MsuD from Pseudomonas fluorescens with FMN | | Descriptor: | Alkanesulfonate monooxygenase, CHLORIDE ION, FLAVIN MONONUCLEOTIDE, ... | | Authors: | Liew, J.J.M, Dowling, D.P. | | Deposit date: | 2020-09-18 | | Release date: | 2021-05-26 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (2.8 Å) | | Cite: | Structures of the alkanesulfonate monooxygenase MsuD provide insight into C-S bond cleavage, substrate scope, and an unexpected role for the tetramer.
J.Biol.Chem., 297, 2021
|
|
7JV3
 | |
7K88
 | | Crystal structure of bovine RPE65 in complex with hexaethylene glycol monooctyl ether | | Descriptor: | 3,6,9,12,15,18-hexaoxahexacosan-1-ol, FE (II) ION, Retinoid isomerohydrolase, ... | | Authors: | Kiser, P.D. | | Deposit date: | 2020-09-26 | | Release date: | 2021-06-02 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Rational Alteration of Pharmacokinetics of Chiral Fluorinated and Deuterated Derivatives of Emixustat for Retinal Therapy.
J.Med.Chem., 64, 2021
|
|
7K89
 | |
7K8G
 | | Crystal structure of bovine RPE65 in complex with 4-fluoro-MB-004 and palmitate | | Descriptor: | (1R)-3-amino-1-{4-fluoro-3-[(2-propylpentyl)oxy]phenyl}propan-1-ol, FE (II) ION, PALMITIC ACID, ... | | Authors: | Kiser, P.D. | | Deposit date: | 2020-09-27 | | Release date: | 2021-06-02 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (1.95 Å) | | Cite: | Rational Alteration of Pharmacokinetics of Chiral Fluorinated and Deuterated Derivatives of Emixustat for Retinal Therapy.
J.Med.Chem., 64, 2021
|
|
7JYZ
 | | Solution NMR structure and dynamics of human Brd3 ET in complex with MLV IN CTD | | Descriptor: | Bromodomain-containing protein 3, Integrase | | Authors: | Aiyer, S, Liu, G, Swapna, G.V.T, Hao, J, Ma, L.C, Roth, M.J, Montelione, G.T. | | Deposit date: | 2020-09-01 | | Release date: | 2021-06-23 | | Last modified: | 2024-05-15 | | Method: | SOLUTION NMR | | Cite: | A common binding motif in the ET domain of BRD3 forms polymorphic structural interfaces with host and viral proteins.
Structure, 29, 2021
|
|
7BVG
 | | Cryo-EM structure of Mycobacterium smegmatis arabinosyltransferase EmbA-EmbB-AcpM2 in complex with di-arabinose. | | Descriptor: | 4'-PHOSPHOPANTETHEINE, CALCIUM ION, CARDIOLIPIN, ... | | Authors: | Zhang, L, Zhao, Y, Gao, Y, Wang, Q, Li, J, Besra, G.S, Rao, Z. | | Deposit date: | 2020-04-10 | | Release date: | 2020-04-29 | | Last modified: | 2024-03-27 | | Method: | ELECTRON MICROSCOPY (3.1 Å) | | Cite: | Structures of cell wall arabinosyltransferases with the anti-tuberculosis drug ethambutol.
Science, 368, 2020
|
|
3EYS
 | |
7KDV
 | | Murine core lysosomal multienzyme complex (LMC) composed of acid beta-galactosidase (GLB1) and protective protein cathepsin A (PPCA, CTSA) | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Beta-galactosidase, ... | | Authors: | Gorelik, A, Illes, K, Hasan, S.M.N, Nagar, B, Mazhab-Jafari, M.T. | | Deposit date: | 2020-10-09 | | Release date: | 2021-03-17 | | Last modified: | 2021-05-26 | | Method: | ELECTRON MICROSCOPY (4.59 Å) | | Cite: | Structure of the murine lysosomal multienzyme complex core.
Sci Adv, 7, 2021
|
|
7D3M
 | |
7D3K
 | |
7D3R
 | |
7JQD
 | | Crystal Structure of PAC1r in complex with peptide antagonist | | Descriptor: | Peptide-43, Pituitary adenylate cyclase-activating polypeptide type I receptor | | Authors: | Piper, D.E, Hu, E, Fang-Tsao, H. | | Deposit date: | 2020-08-10 | | Release date: | 2021-03-24 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (2.7 Å) | | Cite: | Discovery of Selective Pituitary Adenylate Cyclase 1 Receptor (PAC1R) Antagonist Peptides Potent in a Maxadilan/PACAP38-Induced Increase in Blood Flow Pharmacodynamic Model.
J.Med.Chem., 64, 2021
|
|
7D3L
 | |
1MDF
 | | CRYSTAL STRUCTURE OF DhbE IN ABSENCE OF SUBSTRATE | | Descriptor: | 2,3-dihydroxybenzoate-AMP ligase, SULFATE ION | | Authors: | May, J.J, Kessler, N, Marahiel, M.A, Stubbs, M.T. | | Deposit date: | 2002-08-07 | | Release date: | 2002-09-11 | | Last modified: | 2024-02-14 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Crystal structure of DhbE, an archetype for aryl acid activating domains of modular nonribosomal peptide synthetases.
Proc.Natl.Acad.Sci.USA, 99, 2002
|
|
7JOZ
 | | Crystal structure of dopamine D1 receptor in complex with G protein and a non-catechol agonist | | Descriptor: | 6-{4-[(furo[3,2-c]pyridin-4-yl)oxy]-2-methylphenyl}-1,5-dimethylpyrimidine-2,4(1H,3H)-dione, Endolysin,D(1A) dopamine receptor, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, ... | | Authors: | Sun, B, Feng, D, Chu, M.L, Fish, I, Kelm, S, Lebon, F, Lovera, S, Valade, A, Wood, M, Ceska, T, Kobilka, T.S, Sands, Z, Kobilka, B.K. | | Deposit date: | 2020-08-07 | | Release date: | 2021-04-14 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (3.8 Å) | | Cite: | Crystal structure of dopamine D1 receptor in complex with G protein and a non-catechol agonist.
Nat Commun, 12, 2021
|
|
5YKV
 | | The crystal structure of Macrobrachium rosenbergii nodavirus P-domain | | Descriptor: | Capsid protein | | Authors: | Chen, N.C, Yoshimura, M, Lin, C.C, Guan, H.H, Chuankhayan, P, Chen, C.J. | | Deposit date: | 2017-10-16 | | Release date: | 2018-10-24 | | Last modified: | 2024-03-27 | | Method: | X-RAY DIFFRACTION (2.31 Å) | | Cite: | The atomic structures of shrimp nodaviruses reveal new dimeric spike structures and particle polymorphism.
Commun Biol, 2, 2019
|
|
6VGJ
 | | N-terminal variant of CXCL13 | | Descriptor: | C-X-C motif chemokine 13 | | Authors: | Rosenberg Jr, E.M, Lolis, E.J. | | Deposit date: | 2020-01-08 | | Release date: | 2020-10-07 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (2.52 Å) | | Cite: | The N-terminal length and side-chain composition of CXCL13 affect crystallization, structure and functional activity.
Acta Crystallogr D Struct Biol, 76, 2020
|
|
