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6F5L
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BU of 6f5l by Molmil
X-ray structure of human glutamate carboxypeptidase II (GCPII) in complex with a inhibitor JHU2379
分子名称: (2~{S})-2-[[(2~{S})-4-methyl-1-oxidanyl-1-oxidanylidene-pentan-2-yl]carbamoyloxy]pentanedioic acid, 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, ...
著者Barinka, C, Novakova, Z, Motlova, L.
登録日2017-12-01
公開日2018-12-12
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.63 Å)
主引用文献Structural and computational basis for potent inhibition of glutamate carboxypeptidase II by carbamate-based inhibitors.
Bioorg.Med.Chem., 27, 2019
5I04
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BU of 5i04 by Molmil
Crystal structure of the orphan region of human endoglin/CD105
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, Maltose-binding periplasmic protein,Endoglin, TRIETHYLENE GLYCOL, ...
著者Saito, T, Bokhove, M, de Sanctis, D, Jovine, L.
登録日2016-02-03
公開日2017-06-07
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (2.42 Å)
主引用文献Structural Basis of the Human Endoglin-BMP9 Interaction: Insights into BMP Signaling and HHT1.
Cell Rep, 19, 2017
8PAE
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BU of 8pae by Molmil
Structure of the ectodomain of Atypical Porcine Pestivirus E2 at 1.2A resolution
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, Genome polyprotein
著者Aitkenhead, H, Stuart, D.I, EL Omari, K.
登録日2023-06-07
公開日2024-03-27
実験手法X-RAY DIFFRACTION (1.2 Å)
主引用文献Structural comparison of typical and atypical E2 pestivirus glycoproteins.
Structure, 32, 2024
5L0K
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BU of 5l0k by Molmil
Crystal Structure of Autotaxin and Compound PF-8380
分子名称: (3,5-dichlorophenyl)methyl 4-[3-oxo-3-(2-oxo-2,3-dihydro-1,3-benzoxazol-6-yl)propyl]piperazine-1-carboxylate, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, ...
著者Durbin, J.D.
登録日2016-07-27
公開日2016-08-10
最終更新日2020-07-29
実験手法X-RAY DIFFRACTION (2.73 Å)
主引用文献Novel Autotaxin Inhibitors for the Treatment of Osteoarthritis Pain: Lead Optimization via Structure-Based Drug Design.
Acs Med.Chem.Lett., 7, 2016
6FKC
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BU of 6fkc by Molmil
Crystal structure of N2C/D282C stabilized opsin bound to RS15
分子名称: 3-[1'-[(2~{S})-2-(4-chlorophenyl)-3-methyl-butanoyl]spiro[1,3-benzodioxole-2,4'-piperidine]-5-yl]propanoic acid, PALMITIC ACID, Rhodopsin, ...
著者Mattle, D, Standfuss, J, Dawson, R.
登録日2018-01-23
公開日2018-04-04
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (2.46 Å)
主引用文献Ligand channel in pharmacologically stabilized rhodopsin.
Proc. Natl. Acad. Sci. U.S.A., 115, 2018
8EVZ
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BU of 8evz by Molmil
DdlB from Pseudomonas aeruginosa PAO1 in complex with ADP and phosphorylated D-cycloserine
分子名称: ADENOSINE-5'-DIPHOSPHATE, D-alanine--D-alanine ligase B, MAGNESIUM ION, ...
著者Pederick, J.L, Woolman, J.C, Bruning, J.B.
登録日2022-10-21
公開日2023-08-30
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (2.45 Å)
主引用文献Comparative functional and structural analysis of Pseudomonas aeruginosa d-alanine-d-alanine ligase isoforms as prospective antibiotic targets.
Febs J., 290, 2023
5IJD
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BU of 5ijd by Molmil
The crystal structure of mouse TLR4/MD-2/lipid A complex
分子名称: (R)-((2R,3S,4R,5R,6R)-3-HYDROXY-2-(HYDROXYMETHYL)-5-((R)-3-HYDROXYTETRADECANAMIDO)-6-(PHOSPHONOOXY)TETRAHYDRO-2H-PYRAN-4-YL) 3-HYDROXYTETRADECANOATE, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ...
著者Wang, Y, Su, L, Morin, M.D, Jones, B.T, Whitby, L.R, Surakattula, M, Huang, H, Shi, H, Choi, J.H, Wang, K, Moresco, E.M, Berger, M, Zhan, X, Zhang, H, Boger, D.L, Beutler, B.
登録日2016-03-01
公開日2016-04-27
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献TLR4/MD-2 activation by a synthetic agonist with no similarity to LPS.
Proc.Natl.Acad.Sci.USA, 113, 2016
6IC7
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BU of 6ic7 by Molmil
Human cathepsin-C in complex with dipeptidyl cyclopropyl nitrile inhibitor 3
分子名称: 1-azanyl-~{N}-[(1~{R},2~{R})-1-cyano-2-[4-[4-(4-methylpiperazin-1-yl)sulfonylphenyl]phenyl]cyclopropyl]cyclohexane-1-carboxamide, 2-acetamido-2-deoxy-beta-D-glucopyranose, CHLORIDE ION, ...
著者Hakansson, M, Logan, D.T, Korkmaz, B, Lesner, A, Wysocka, M, Gieldon, A, Gauthier, F, Jenne, D, Lauritzen, C, Pedersen, J.
登録日2018-12-02
公開日2019-04-24
最終更新日2020-07-29
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Structure-based design and in vivo anti-arthritic activity evaluation of a potent dipeptidyl cyclopropyl nitrile inhibitor of cathepsin C.
Biochem. Pharmacol., 164, 2019
8EVX
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DdlA from Pseudomonas aeruginosa PAO1 in complex with ADP and phosphorylated D-cycloserine
分子名称: ADENOSINE-5'-DIPHOSPHATE, D-alanine--D-alanine ligase A, MAGNESIUM ION, ...
著者Pederick, J.L, Woolman, J.C, Bruning, J.B.
登録日2022-10-21
公開日2023-08-30
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (1.55 Å)
主引用文献Comparative functional and structural analysis of Pseudomonas aeruginosa d-alanine-d-alanine ligase isoforms as prospective antibiotic targets.
Febs J., 290, 2023
8RKF
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BU of 8rkf by Molmil
Crystal structure of the ZP-N1 and ZP-N2 domains of human ZP2 (hZP2-N1N2)
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, Zona pellucida sperm-binding protein 2
著者Dioguardi, E, Stsiapanava, A, de Sanctis, D, Jovine, L.
登録日2023-12-25
公開日2024-03-13
最終更新日2024-03-27
実験手法X-RAY DIFFRACTION (3.2 Å)
主引用文献ZP2 cleavage blocks polyspermy by modulating the architecture of the egg coat.
Cell, 187, 2024
8RKG
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BU of 8rkg by Molmil
Crystal structure of tetrameric collagenase-cleaved Xenopus ZP2-N2N3 (cleaved xZP2-N2N3)
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, BICINE, ...
著者Nishio, S, de Sanctis, D, Jovine, L.
登録日2023-12-25
公開日2024-03-13
最終更新日2024-03-27
実験手法X-RAY DIFFRACTION (2.9 Å)
主引用文献ZP2 cleavage blocks polyspermy by modulating the architecture of the egg coat.
Cell, 187, 2024
6YU5
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BU of 6yu5 by Molmil
Crystal structure of MhsT in complex with L-valine
分子名称: DODECYL-BETA-D-MALTOSIDE, SODIUM ION, Sodium-dependent transporter, ...
著者Focht, D, Neumann, C, Lyons, J, Eguskiza Bilbao, A, Blunck, R, Malinauskaite, L, Schwarz, I.O, Javitch, J.A, Quick, M, Nissen, P.
登録日2020-04-25
公開日2020-07-15
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献A non-helical region in transmembrane helix 6 of hydrophobic amino acid transporter MhsT mediates substrate recognition.
Embo J., 40, 2021
6IOZ
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BU of 6ioz by Molmil
Structural insights of idursulfase beta
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, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, ...
著者Kim, H, Kim, D, Hong, J, Lee, K, Seo, J, Oh, B.H.
登録日2018-11-01
公開日2018-11-28
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (3.1 Å)
主引用文献Structural insights of idursulfase beta
To Be Published
8CX3
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BU of 8cx3 by Molmil
Crystal structure of full-length mesothelin
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, GLYCEROL, ...
著者Zhan, J, Esser, L, Xia, D.
登録日2022-05-19
公開日2023-02-01
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (3.609 Å)
主引用文献Structures of Cancer Antigen Mesothelin and Its Complexes with Therapeutic Antibodies.
Cancer Res Commun, 3, 2023
8ONE
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BU of 8one by Molmil
Crystal Structure of full-length Human Lysyl Hydroxylase LH3 - Asp190Ser mutant - Cocrystal with Fe2+, Mn2+, UDP-Glucose
分子名称: 2-OXOGLUTARIC ACID, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ...
著者Mattoteia, D, De Marco, M, Pinnola, A, Faravelli, S, Scietti, L, Forneris, F.
登録日2023-04-02
公開日2023-07-19
最終更新日2023-08-09
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Identification of Regulatory Molecular "Hot Spots" for LH/PLOD Collagen Glycosyltransferase Activity.
Int J Mol Sci, 24, 2023
6DHF
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BU of 6dhf by Molmil
RT XFEL structure of the one-flash state of Photosystem II (1F, S2-rich) at 2.08 Angstrom resolution
分子名称: 1,2-DI-O-ACYL-3-O-[6-DEOXY-6-SULFO-ALPHA-D-GLUCOPYRANOSYL]-SN-GLYCEROL, 1,2-DIPALMITOYL-PHOSPHATIDYL-GLYCEROLE, 1,2-DISTEAROYL-MONOGALACTOSYL-DIGLYCERIDE, ...
著者Kern, J, Chatterjee, R, Young, I.D, Fuller, F.D, Lassalle, L, Ibrahim, M, Gul, S, Fransson, T, Brewster, A.S, Alonso-Mori, R, Hussein, R, Zhang, M, Douthit, L, de Lichtenberg, C, Cheah, M.H, Shevela, D, Wersig, J, Seufert, I, Sokaras, D, Pastor, E, Weninger, C, Kroll, T, Sierra, R.G, Aller, P, Butryn, A, Orville, A.M, Liang, M, Batyuk, A, Koglin, J.E, Carbajo, S, Boutet, S, Moriarty, N.W, Holton, J.M, Dobbek, H, Adams, P.D, Bergmann, U, Sauter, N.K, Zouni, A, Messinger, J, Yano, J, Yachandra, V.K.
登録日2018-05-20
公開日2018-11-21
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (2.08 Å)
主引用文献Structures of the intermediates of Kok's photosynthetic water oxidation clock.
Nature, 563, 2018
5N6V
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BU of 5n6v by Molmil
Crystal structure of Neisseria polysaccharea amylosucrase mutant derived from Neutral genetic Drift-based engineering
分子名称: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, Amylosucrase, ...
著者Daude, D, Verges, A, Tranier, S.
登録日2017-02-16
公開日2018-03-07
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Neutral Genetic Drift-Based Engineering of a Sucrose-Utilizing Enzyme toward Glycodiversification.
Acs Catalysis, 2019
7SAQ
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BU of 7saq by Molmil
Cryo-EM structure of TMEM106B fibrils extracted from a FTLD-TDP patient, polymorph 1
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, Transmembrane protein 106B
著者Cao, Q, Jiang, Y, Sawaya, M.R, Eisenberg, D.S.
登録日2021-09-23
公開日2022-03-09
最終更新日2022-05-25
実験手法ELECTRON MICROSCOPY (2.9 Å)
主引用文献Amyloid fibrils in FTLD-TDP are composed of TMEM106B and not TDP-43.
Nature, 605, 2022
7SAS
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Cryo-EM structure of TMEM106B fibrils extracted from a FTLD-TDP patient, polymorph 3
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, Transmembrane protein 106B
著者Cao, Q, Jiang, Y, Sawaya, M.R, Eisenberg, D.S.
登録日2021-09-23
公開日2022-03-09
最終更新日2022-05-25
実験手法ELECTRON MICROSCOPY (3.7 Å)
主引用文献Amyloid fibrils in FTLD-TDP are composed of TMEM106B and not TDP-43.
Nature, 605, 2022
7SAR
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BU of 7sar by Molmil
Cryo-EM structure of TMEM106B fibrils extracted from a FTLD-TDP patient, polymorph 2
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, Transmembrane protein 106B
著者Cao, Q, Jiang, Y, Sawaya, M.R, Eisenberg, D.S.
登録日2021-09-23
公開日2022-03-09
最終更新日2022-05-25
実験手法ELECTRON MICROSCOPY (3.2 Å)
主引用文献Amyloid fibrils in FTLD-TDP are composed of TMEM106B and not TDP-43.
Nature, 605, 2022
7TY0
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BU of 7ty0 by Molmil
Nipah Virus attachment (G) glycoprotein ectodomain in complex with nAH1.3 neutralizing antibody Fab fragment (local refinement of the stalk 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, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, ...
著者Wang, Z.Q, Seattle Structural Genomics Center for Infectious Disease (SSGCID), Veesler, D.
登録日2022-02-10
公開日2022-03-09
最終更新日2022-04-06
実験手法ELECTRON MICROSCOPY (3.5 Å)
主引用文献Architecture and antigenicity of the Nipah virus attachment glycoprotein.
Science, 375, 2022
8PE2
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BU of 8pe2 by Molmil
Crystal structure of Gel4 in complex with Nanobody 3
分子名称: 1,3-beta-glucanosyltransferase, 2-acetamido-2-deoxy-beta-D-glucopyranose, Nanobody 3, ...
著者Macias-Leon, J, Redrado-Hernandez, S, Castro-Lopez, J, Sanz, A.B, Arias, M, Farkas, V, Vincke, C, Muyldermans, S, Pardo, J, Arroyo, J, Galvez, E, Hurtado-Guerrero, R.
登録日2023-06-13
公開日2024-06-19
最終更新日2024-08-21
実験手法X-RAY DIFFRACTION (2.05 Å)
主引用文献Broad Protection against Invasive Fungal Disease from a Nanobody Targeting the Active Site of Fungal beta-1,3-Glucanosyltransferases.
Angew.Chem.Int.Ed.Engl., 63, 2024
7TPS
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BU of 7tps by Molmil
Crystal structure of ALPN-202 (engineered CD80 vIgD) in complex with PD-L1
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-3)-[alpha-L-fucopyranose-(1-6)]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Demonte, D.W, Maurer, M.F, Akutsu, M, Kimbung, Y.R, Logan, D.T, Walse, B.
登録日2022-01-26
公開日2022-03-16
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (3.15 Å)
主引用文献The engineered CD80 variant fusion therapeutic davoceticept combines checkpoint antagonism with conditional CD28 costimulation for anti-tumor immunity.
Nat Commun, 13, 2022
6D4E
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BU of 6d4e by Molmil
Crystal Structure of a Fc Fragment of Rhesus macaque (Macaca mulatta) IgG1.
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-2)-alpha-D-mannopyranose-(1-3)-[2-acetamido-2-deoxy-beta-D-glucopyranose-(1-2)-alpha-D-mannopyranose-(1-6)]beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, CHLORIDE ION, Fc Fragment of IgG1
著者Gohain, N, Tolbert, W.D, Pazgier, M.
登録日2018-04-18
公開日2019-05-01
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献From Rhesus macaque to human: structural evolutionary pathways for immunoglobulin G subclasses.
Mabs, 11, 2019
8P2W
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Structure of human SIT1 (focussed map / refinement)
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, Processed angiotensin-converting enzyme 2, Sodium- and chloride-dependent transporter XTRP3
著者Li, H.Z, Pike, A.C.W, Chi, G, Hansen, J.S, Lee, S.G, Rodstrom, K.E.J, Bushell, S.R, Speedman, D, Evans, A, Wang, D, He, D, Shrestha, L, Nasrallah, C, Chalk, R, Moreira, T, MacLean, E.M, Marsden, B, Bountra, C, Burgess-Brown, N.A, Dafforn, T.R, Carpenter, E.P, Sauer, D.B.
登録日2023-05-16
公開日2024-06-12
最終更新日2024-07-10
実験手法ELECTRON MICROSCOPY (3.76 Å)
主引用文献Structure and function of the SIT1 proline transporter in complex with the COVID-19 receptor ACE2.
Nat Commun, 15, 2024

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