7QHA
 
 | | Cryo-EM structure of the Tripartite ATP-independent Periplasmic (TRAP) transporter SiaQM from Photobacterium profundum in amphipol | | 分子名称: | Megabody c7HopQ, Putative TRAP-type C4-dicarboxylate transport system, large permease component, ... | | 著者 | North, R.A, Davies, J.S, Morado, D, Dobson, R.C.J. | | 登録日 | 2021-12-11 | | 公開日 | 2022-12-21 | | 最終更新日 | 2023-03-22 | | 実験手法 | ELECTRON MICROSCOPY (2.97 Å) | | 主引用文献 | Structure and mechanism of a tripartite ATP-independent periplasmic TRAP transporter.
Nat Commun, 14, 2023
|
|
7QKB
 | | Crystal structure of human Cathepsin L in complex with covalently bound GC376 | | 分子名称: | CHLORIDE ION, Cathepsin L, DI(HYDROXYETHYL)ETHER, ... | | 著者 | Reinke, P.Y.A, Falke, S, Lieske, J, Ewert, W, Loboda, J, Rahmani Mashhour, A, Hauser, M, Karnicar, K, Usenik, A, Lindic, N, Lach, M, Boehler, H, Beck, T, Cox, R, Chapman, H.N, Hinrichs, W, Turk, D, Guenther, S, Meents, A. | | 登録日 | 2021-12-17 | | 公開日 | 2022-12-28 | | 最終更新日 | 2024-01-31 | | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | | 主引用文献 | Calpeptin is a potent cathepsin inhibitor and drug candidate for SARS-CoV-2 infections.
Commun Biol, 6, 2023
|
|
8CXI
 | | Structures of Zika Virus in Complex with Antibodies Targeting E Dimer Epitopes and Basis for Neutralization Efficacy | | 分子名称: | A11 heavy chain, A11 light chain, Ankyrin repeat family A protein 2,Envelope E protein, ... | | 著者 | Liu, W, Zhang, X.K, Gong, D.Y, Dai, X.H, Sharma, A, Zhang, T.H, Rey, F, Zhou, Z.H. | | 登録日 | 2022-05-21 | | 公開日 | 2023-06-07 | | 実験手法 | ELECTRON MICROSCOPY (3.4 Å) | | 主引用文献 | Structures of Zika Virus in Complex with Antibodies Targeting E Dimer Epitopes and Basis for Neutralization Efficacy
To Be Published
|
|
5NP6
 | | 70S structure prior to bypassing | | 分子名称: | 16S ribosomal RNA, 23S ribosomal RNA, 30S ribosomal protein S10, ... | | 著者 | Agirrezabala, X, Samatova, E, Klimova, M, Zamora, M, Gil-Carton, D, Rodnina, M, Valle, M. | | 登録日 | 2017-04-13 | | 公開日 | 2017-06-14 | | 最終更新日 | 2024-04-24 | | 実験手法 | ELECTRON MICROSCOPY (3.6 Å) | | 主引用文献 | Ribosome rearrangements at the onset of translational bypassing.
Sci Adv, 3, 2017
|
|
6NEA
 | | Human Acetylcholinesterase in complex with reactivator, HLo7 | | 分子名称: | 1-[({2,4-BIS[(E)-(HYDROXYIMINO)METHYL]PYRIDINIUM-1-YL}METHOXY)METHYL]-4-CARBAMOYLPYRIDINIUM, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, ... | | 著者 | Bester, S.M, McGuire, J, Height, J.J, Pegan, S.D. | | 登録日 | 2018-12-17 | | 公開日 | 2019-06-12 | | 最終更新日 | 2023-10-11 | | 実験手法 | X-RAY DIFFRACTION (2.419 Å) | | 主引用文献 | Synthesis and Molecular Properties of Nerve Agent Reactivator HLo-7 Dimethanesulfonate.
Acs Med.Chem.Lett., 10, 2019
|
|
8FD7
 | | Structure of the human L-type voltage-gated calcium channel Cav1.2 complexed with gabapentin | | 分子名称: | (2R)-3-{[(R)-(2-aminoethoxy)(hydroxy)phosphoryl]oxy}-2-(dodecanoyloxy)propyl heptadecanoate, (2S)-3-{[(R)-(2-aminoethoxy)(hydroxy)phosphoryl]oxy}-2-(dodecanoyloxy)propyl dodecanoate, 2-acetamido-2-deoxy-beta-D-glucopyranose, ... | | 著者 | Chen, Z, Mondal, A, Minor, D.L. | | 登録日 | 2022-12-02 | | 公開日 | 2023-03-22 | | 最終更新日 | 2023-07-05 | | 実験手法 | ELECTRON MICROSCOPY (3.1 Å) | | 主引用文献 | Structural basis for Ca V alpha 2 delta :gabapentin binding.
Nat.Struct.Mol.Biol., 30, 2023
|
|
6QGD
 | | Structure of human Mcl-1 in complex with thienopyrimidine inhibitor | | 分子名称: | 2-[(6-ethyl-5-phenyl-thieno[2,3-d]pyrimidin-4-yl)amino]-3-oxidanyl-propanoic acid, Maltose-binding periplasmic protein,Induced myeloid leukemia cell differentiation protein Mcl-1, SODIUM ION, ... | | 著者 | Dokurno, P, Murray, J, Davidson, J, Chen, I, Davis, B, Graham, C.J, Harris, R, Jordan, A.M, Matassova, N, Pedder, C, Ray, S, Roughley, S, Smith, J, Walmsley, C, Wang, Y, Whitehead, N, Williamson, D.S, Casara, P, Le Diguarher, T, Hickman, J, Stark, J, Kotschy, A, Geneste, O, Hubbard, R.E. | | 登録日 | 2019-01-11 | | 公開日 | 2019-06-12 | | 最終更新日 | 2024-01-24 | | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | | 主引用文献 | Establishing Drug Discovery and Identification of Hit Series for the Anti-apoptotic Proteins, Bcl-2 and Mcl-1.
Acs Omega, 4, 2019
|
|
8DFY
 | | Crystal structure of Human BTN2A1 Ectodomain | | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Butyrophilin subfamily 2 member A1, ... | | 著者 | Fulford, T.S, Soliman, C, Castle, R.G, Rigau, M, Ruan, Z, Dolezal, O, Seneviratna, R, Brown, H.G, Hanssen, E, Hammet, A, Li, S, Redmond, S.J, Chung, A, Gorman, M.A, Parker, M.W, Patel, O, Peat, T.S, Newman, J, Behren, A, Gherardin, N.A, Godfrey, D.I, Uldrich, A.P. | | 登録日 | 2022-06-22 | | 公開日 | 2023-07-05 | | 最終更新日 | 2023-10-25 | | 実験手法 | X-RAY DIFFRACTION (3.552 Å) | | 主引用文献 | Vgamma9-Vdelta2 T cells recognize butyrophilin 2A1 and 3A1 heteromers
To Be Published
|
|
7QQ3
 | | Cryo-EM structure of the E.coli 50S ribosomal subunit in complex with the antibiotic Myxovalargin A. | | 分子名称: | 23S ribosomal RNA, 50S ribosomal protein L13, 50S ribosomal protein L14, ... | | 著者 | Koller, T.O, Beckert, B, Wilson, D.N. | | 登録日 | 2022-01-06 | | 公開日 | 2023-01-18 | | 最終更新日 | 2023-02-01 | | 実験手法 | ELECTRON MICROSCOPY (2.1 Å) | | 主引用文献 | The Myxobacterial Antibiotic Myxovalargin: Biosynthesis, Structural Revision, Total Synthesis, and Molecular Characterization of Ribosomal Inhibition.
J.Am.Chem.Soc., 145, 2023
|
|
6VTT
 | |
7AMZ
 | | Crystal structure of human Butyrylcholinesterase in complex with N-((2S,3R)-4-((2,2-dimethylpropyl)amino)-3-hydroxy-1-phenylbutan-2-yl)-2,2-diphenylacetamide | | 分子名称: | 2,2-dimethylpropyl-[(2~{R},3~{S})-3-(2,2-diphenylethanoylamino)-2-oxidanyl-4-phenyl-butyl]azanium, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 2-acetamido-2-deoxy-beta-D-glucopyranose, ... | | 著者 | Brazzolotto, X, Pasieka, A, Panek, D, Wieckowska, A. | | 登録日 | 2020-10-10 | | 公開日 | 2021-05-26 | | 最終更新日 | 2024-01-31 | | 実験手法 | X-RAY DIFFRACTION (2.25 Å) | | 主引用文献 | Discovery of multifunctional anti-Alzheimer's agents with a unique mechanism of action including inhibition of the enzyme butyrylcholinesterase and gamma-aminobutyric acid transporters.
Eur.J.Med.Chem., 218, 2021
|
|
7MQO
 | | The insulin receptor ectodomain in complex with a venom hybrid insulin analog - "head" region | | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Insulin A chain, ... | | 著者 | Blakely, A.D, Xiong, X, Kim, J.H, Menting, J, Schafer, I.B, Schubert, H.L, Agrawal, R, Gutmann, T, Delaine, C, Zhang, Y, Artik, G.O, Merriman, A, Eckert, D, Lawrence, M.C, Coskun, U, Fisher, S.J, Forbes, B.E, Safavi-Hemami, H, Hill, C.P, Chou, D.H.C. | | 登録日 | 2021-05-06 | | 公開日 | 2022-03-16 | | 最終更新日 | 2023-03-29 | | 実験手法 | ELECTRON MICROSCOPY (3.4 Å) | | 主引用文献 | Symmetric and asymmetric receptor conformation continuum induced by a new insulin.
Nat.Chem.Biol., 18, 2022
|
|
6Q63
 | | BT0459 | | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Beta-hexosaminidase, CALCIUM ION, ... | | 著者 | Basle, A, Crouch, L, Bolam, D. | | 登録日 | 2018-12-10 | | 公開日 | 2019-05-08 | | 最終更新日 | 2024-01-24 | | 実験手法 | X-RAY DIFFRACTION (2.44 Å) | | 主引用文献 | Complex N-glycan breakdown by gut Bacteroides involves an extensive enzymatic apparatus encoded by multiple co-regulated genetic loci.
Nat Microbiol, 4, 2019
|
|
7AIQ
 | | Structure of Human Potassium Chloride Transporter KCC1 in NaCl (Subclass 1) | | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, ADENOSINE-5'-TRIPHOSPHATE, Solute carrier family 12 member 4, ... | | 著者 | Ebenhoch, R, Chi, G, Man, H, Wang, D, McKinley, G, Mukhopadhyay, S.M.M, MacLean, E.M, Chalk, R, Moreau, C, Snee, M, Bohstedt, T, Singh, N.K, Abrusci, P, Liko, I, Tehan, B.G, Almeida, F.G, Arrowsmith, C.H, Tang, H, Robinson, C.V, Bountra, C, Edwards, A.M, Marsden, B.D, Burgess-Brown, N.A, Duerr, K.L, Structural Genomics Consortium (SGC) | | 登録日 | 2020-09-28 | | 公開日 | 2021-06-02 | | 最終更新日 | 2021-07-28 | | 実験手法 | ELECTRON MICROSCOPY (3.72 Å) | | 主引用文献 | Phospho-regulation, nucleotide binding and ion access control in potassium-chloride cotransporters.
Embo J., 40, 2021
|
|
7NXA
 | | Crystal structure of the receptor binding domain of SARS-CoV-2 B.1.351 variant Spike glycoprotein in complex with COVOX-222 and EY6A Fabs | | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, COVOX-222 Fab heavy chain, COVOX-222 Fab light chain, ... | | 著者 | Zhou, D, Ren, J, Stuart, D. | | 登録日 | 2021-03-17 | | 公開日 | 2021-04-07 | | 最終更新日 | 2024-01-31 | | 実験手法 | X-RAY DIFFRACTION (2.5 Å) | | 主引用文献 | Antibody evasion by the P.1 strain of SARS-CoV-2.
Cell, 184, 2021
|
|
7NXB
 | | Crystal structure of the receptor binding domain of SARS-CoV-2 P.1 variant Spike glycoprotein in complex with COVOX-222 and EY6A Fabs | | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, COVOX-222 Fab heavy chain, COVOX-222 Fab light chain, ... | | 著者 | Zhou, D, Ren, J, Stuart, D. | | 登録日 | 2021-03-17 | | 公開日 | 2021-04-07 | | 最終更新日 | 2024-01-31 | | 実験手法 | X-RAY DIFFRACTION (2.67 Å) | | 主引用文献 | Antibody evasion by the P.1 strain of SARS-CoV-2.
Cell, 184, 2021
|
|
7NXC
 | |
7NX6
 | | Crystal structure of the receptor binding domain of SARS-CoV-2 Spike glycoprotein in complex with COVOX-222 and EY6A Fabs | | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, CHLORIDE ION, COVOX-222 Fab Heavy chain, ... | | 著者 | Zhou, D, Ren, J, Stuart, D. | | 登録日 | 2021-03-17 | | 公開日 | 2021-04-07 | | 最終更新日 | 2024-01-31 | | 実験手法 | X-RAY DIFFRACTION (2.25 Å) | | 主引用文献 | Antibody evasion by the P.1 strain of SARS-CoV-2.
Cell, 184, 2021
|
|
7NX9
 | | Crystal structure of the N501Y mutant receptor binding domain of SARS-CoV-2 Spike glycoprotein in complex with COVOX-222 and EY6A Fabs | | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, CHLORIDE ION, COVOX-222 Fab heavy chain, ... | | 著者 | Zhou, D, Ren, J, Stuart, D. | | 登録日 | 2021-03-17 | | 公開日 | 2021-04-07 | | 最終更新日 | 2024-01-31 | | 実験手法 | X-RAY DIFFRACTION (2.4 Å) | | 主引用文献 | Antibody evasion by the P.1 strain of SARS-CoV-2.
Cell, 184, 2021
|
|
7NX7
 | | Crystal structure of the K417N mutant receptor binding domain of SARS-CoV-2 Spike glycoprotein in complex with COVOX-222 and EY6A Fabs | | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, CHLORIDE ION, CITRIC ACID, ... | | 著者 | Zhou, D, Ren, J, Stuart, D. | | 登録日 | 2021-03-17 | | 公開日 | 2021-04-07 | | 最終更新日 | 2024-01-31 | | 実験手法 | X-RAY DIFFRACTION (2.3 Å) | | 主引用文献 | Antibody evasion by the P.1 strain of SARS-CoV-2.
Cell, 184, 2021
|
|
7NX8
 | | Crystal structure of the K417T mutant receptor binding domain of SARS-CoV-2 Spike glycoprotein in complex with COVOX-222 and EY6A Fabs | | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, CHLORIDE ION, CITRIC ACID, ... | | 著者 | Zhou, D, Ren, J, Stuart, D. | | 登録日 | 2021-03-17 | | 公開日 | 2021-04-07 | | 最終更新日 | 2024-01-31 | | 実験手法 | X-RAY DIFFRACTION (1.95 Å) | | 主引用文献 | Antibody evasion by the P.1 strain of SARS-CoV-2.
Cell, 184, 2021
|
|
7REC
 | | Structure of Thr354Asn, Glu355Gln, Thr412Asn, Ile414Met, Ile464His, and Phe467Met mutant human CaMKII alpha hub bound to 5-HDC | | 分子名称: | 5-hydroxydiclofenac, Calcium/calmodulin-dependent protein kinase type II subunit alpha, SODIUM ION | | 著者 | McSpadden, E.D, Chi, C.C, Gee, C.L, Kuriyan, J. | | 登録日 | 2021-07-12 | | 公開日 | 2021-07-21 | | 最終更新日 | 2023-10-18 | | 実験手法 | X-RAY DIFFRACTION (2.2 Å) | | 主引用文献 | GHB analogs confer neuroprotection through specific interaction with the CaMKII alpha hub domain.
Proc.Natl.Acad.Sci.USA, 118, 2021
|
|
8F9P
 | | Dog sialic acid esterase (SIAE) inactive mutant S128A | | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ACETATE ION, ... | | 著者 | Ide, D, Gorelik, A, Illes, K, Nagar, B. | | 登録日 | 2022-11-24 | | 公開日 | 2024-05-29 | | 実験手法 | X-RAY DIFFRACTION (1.55 Å) | | 主引用文献 | Dog sialic acid esterase (SIAE) inactive mutant S128A
To Be Published
|
|
7OKB
 | | Crystal structure of Pseudomonas aeruginosa LpxA in complex with compound 45 | | 分子名称: | Acyl-[acyl-carrier-protein]--UDP-N-acetylglucosamine O-acyltransferase, CHLORIDE ION, SULFATE ION, ... | | 著者 | Ryan, M.D, Parkes, A.L, Southey, M, Andersen, O.A, Zahn, M, Barker, J, DeJonge, B.L.M. | | 登録日 | 2021-05-17 | | 公開日 | 2021-10-06 | | 最終更新日 | 2024-01-31 | | 実験手法 | X-RAY DIFFRACTION (3.58 Å) | | 主引用文献 | Discovery of Novel UDP- N -Acetylglucosamine Acyltransferase (LpxA) Inhibitors with Activity against Pseudomonas aeruginosa .
J.Med.Chem., 64, 2021
|
|
7OKA
 | | Crystal structure of Pseudomonas aeruginosa LpxA in complex with compound 14 | | 分子名称: | 2-(2-chlorophenyl)sulfanyl-~{N}-[(4-cyanophenyl)methyl]-~{N}-(1~{H}-imidazol-4-ylmethyl)ethanamide, Acyl-[acyl-carrier-protein]-UDP-N-acetylglucosamine O-acyltransferase, CHLORIDE ION, ... | | 著者 | Ryan, M.D, Parkes, A.L, Southey, M, Andersen, O.A, Zahn, M, Barker, J, DeJonge, B.L.M. | | 登録日 | 2021-05-17 | | 公開日 | 2021-10-13 | | 最終更新日 | 2024-01-31 | | 実験手法 | X-RAY DIFFRACTION (2.74 Å) | | 主引用文献 | Discovery of Novel UDP- N -Acetylglucosamine Acyltransferase (LpxA) Inhibitors with Activity against Pseudomonas aeruginosa .
J.Med.Chem., 64, 2021
|
|
