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6FHM
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BU of 6fhm by Molmil
Crystal structure of the F47E mutant of the lipoprotein localization factor, LolA
Descriptor: GLYCEROL, Outer-membrane lipoprotein carrier protein
Authors:Kaplan, E, Greene, N.P, Crow, A, Koronakis, V.
Deposit date:2018-01-15
Release date:2018-07-25
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (2.39 Å)
Cite:Insights into bacterial lipoprotein trafficking from a structure of LolA bound to the LolC periplasmic domain.
Proc. Natl. Acad. Sci. U.S.A., 115, 2018
7RYN
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BU of 7ryn by Molmil
CD1a-sulfatide-gdTCR complex
Descriptor: (15Z)-N-((1S,2R,3E)-2-HYDROXY-1-{[(3-O-SULFO-BETA-D-GALACTOPYRANOSYL)OXY]METHYL}HEPTADEC-3-ENYL)TETRACOS-15-ENAMIDE, 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Wegrecki, M, Le Nours, J, Rossjohn, J.
Deposit date:2021-08-25
Release date:2022-05-18
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Atypical sideways recognition of CD1a by autoreactive gamma delta T cell receptors.
Nat Commun, 13, 2022
8SOS
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BU of 8sos by Molmil
Human CD1d presenting sphingomyelin C24:1 in complex with VHH nanobody 1D17
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Antigen-presenting glycoprotein CD1d, Beta-2-microglobulin, ...
Authors:Shahine, A, Rossjohn, J.
Deposit date:2023-04-29
Release date:2023-12-13
Method:X-RAY DIFFRACTION (2.33 Å)
Cite:Enhanced CD1d phosphatidylserine presentation using a single-domain antibody promotes immunomodulatory CD1d-TIM-3 interactions.
J Immunother Cancer, 11, 2023
6XOD
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BU of 6xod by Molmil
Crystal structure of the PEX4-PEX22 protein complex from Arabidopsis thaliana
Descriptor: Peroxisome biogenesis protein 22, Protein PEROXIN-4
Authors:Olmos Jr, J.L, Bradford, S.E, Miller, M.D, Xu, W, Wright, Z.J, Bartel, B, Phillips Jr, G.N.
Deposit date:2020-07-06
Release date:2021-07-14
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.01 Å)
Cite:The Structure of the Arabidopsis PEX4-PEX22 Peroxin Complex-Insights Into Ubiquitination at the Peroxisomal Membrane
Front Cell Dev Biol, 10, 2022
6JAO
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BU of 6jao by Molmil
Crystal structure of ABC transporter alpha-glycoside-binding mutant protein R356A in complex with palatinose
Descriptor: 1,2-ETHANEDIOL, ABC transporter, periplasmic substrate-binding protein, ...
Authors:Kanaujia, S.P, Chandravanshi, M, Gogoi, P.
Deposit date:2019-01-24
Release date:2019-10-30
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.77 Å)
Cite:Structural and thermodynamic correlation illuminates the selective transport mechanism of disaccharide alpha-glycosides through ABC transporter.
Febs J., 287, 2020
6BWQ
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BU of 6bwq by Molmil
LarC2, the C-terminal domain of a cyclometallase involved in the synthesis of the NPN cofactor of lactate racemase, in complex with MnCTP
Descriptor: CHLORIDE ION, CYTIDINE-5'-TRIPHOSPHATE, MANGANESE (II) ION, ...
Authors:Fellner, M, Hausinger, R.P, Hu, J.
Deposit date:2017-12-15
Release date:2018-06-20
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Biosynthesis of the nickel-pincer nucleotide cofactor of lactate racemase requires a CTP-dependent cyclometallase.
J. Biol. Chem., 293, 2018
6FG2
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BU of 6fg2 by Molmil
CRYSTAL STRUCTURE OF FAB OF NATALIZUMAB IN COMPLEX WITH FAB OF NAA84.
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, HEAVY CHAIN FAB NAA84, HEAVY CHAIN FAB NATALIZUMAB, ...
Authors:Bertrand, T, Pouzieux, S.
Deposit date:2018-01-09
Release date:2019-07-24
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (2.788 Å)
Cite:A single T cell epitope drives the neutralizing anti-drug antibody response to natalizumab in multiple sclerosis patients.
Nat. Med., 25, 2019
7Z39
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BU of 7z39 by Molmil
Structure of Belumosudil bound to CK2alpha
Descriptor: 2-[3-[4-(1~{H}-indazol-5-ylamino)quinazolin-2-yl]phenoxy]-~{N}-propan-2-yl-ethanamide, ACETATE ION, Casein kinase II subunit alpha, ...
Authors:Brear, P, Hyvonen, M.
Deposit date:2022-03-01
Release date:2022-10-12
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Crystal structure of the Rho-associated coiled-coil kinase 2 inhibitor belumosudil bound to CK2 alpha.
Acta Crystallogr.,Sect.F, 78, 2022
6PPV
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BU of 6ppv by Molmil
Structure of S. pombe Lsm1-7 with RNA, polyuridine with 3' guanosine
Descriptor: Probable U6 snRNA-associated Sm-like protein LSm3, Probable U6 snRNA-associated Sm-like protein LSm4, RNA (5'-R(*AP*UP*UP*UP*UP*G)-3'), ...
Authors:Montemayor, E.J, Butcher, S.E.
Deposit date:2019-07-08
Release date:2020-06-17
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (2.05 Å)
Cite:Molecular basis for the distinct cellular functions of the Lsm1-7 and Lsm2-8 complexes.
Rna, 26, 2020
6JCB
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BU of 6jcb by Molmil
Crystal structure of aminotransferase CrmG from Actinoalloteichus sp. WH1-2216-6 in C2 space group
Descriptor: CrmG
Authors:Xu, J, Liu, J.
Deposit date:2019-01-28
Release date:2020-02-05
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.85 Å)
Cite:Structural studies reveal flexible roof of active site responsible for omega-transaminase CrmG overcoming by-product inhibition.
Commun Biol, 3, 2020
6FID
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BU of 6fid by Molmil
Bovine trypsin solved by S-SAD on ID30B
Descriptor: BENZAMIDINE, CALCIUM ION, Cationic trypsin, ...
Authors:McCarthy, A.A, Mueller-Dieckmann, C.
Deposit date:2018-01-18
Release date:2018-02-07
Last modified:2018-08-08
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:ID30B - a versatile beamline for macromolecular crystallography experiments at the ESRF.
J Synchrotron Radiat, 25, 2018
7AEM
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BU of 7aem by Molmil
Studies Towards a Reversible EGFR C797S Triple Mutant Inhibitor Series
Descriptor: 5-chloro-N~4~-[2-(dimethylphosphoryl)phenyl]-N~2~-{2-methoxy-4-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]phenyl}pyrimidine-2,4-diamine, Epidermal growth factor receptor
Authors:Hargreaves, D.
Deposit date:2020-09-17
Release date:2021-04-07
Last modified:2024-05-01
Method:X-RAY DIFFRACTION (2.65 Å)
Cite:Abstract 4451: Evaluation of the therapeutic potential of phosphine oxide pyrazole inhibitors in tumors harboring EGFR C797S mutation
Cancer Res., 79, 2019
6XCP
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BU of 6xcp by Molmil
Immune receptor complex
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, GLYCEROL, Hybrid insulin peptide, ...
Authors:Tran, T.M, Faridi, P, Lim, J.J, Ting, T.Y, Onwukwe, G, Bhattacharjee, P, Jones, M.C, Tresoldi, E, Cameron, J.F, La-Gruta, L.N, Purcell, W.A, Mannering, I.S, Rossjohn, J, Reid, H.H.
Deposit date:2020-06-08
Release date:2021-07-14
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (3.3 Å)
Cite:T cell receptor recognition of hybrid insulin peptides bound to HLA-DQ8.
Nat Commun, 12, 2021
7AKO
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BU of 7ako by Molmil
Crystal structure of CHK1 kinase domain in complex with a CLASPIN phosphopeptide
Descriptor: 1,2-ETHANEDIOL, Claspin, STAUROSPORINE, ...
Authors:Day, M, Oliver, A.W, Pearl, L.H.
Deposit date:2020-10-01
Release date:2021-04-14
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Structural basis for recruitment of the CHK1 DNA damage kinase by the CLASPIN scaffold protein.
Structure, 29, 2021
6PMP
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BU of 6pmp by Molmil
Crystal structure of a fragment of rat phospholipase Cepsilon EF3-RA1
Descriptor: 1-phosphatidylinositol 4,5-bisphosphate phosphodiesterase epsilon-1, CALCIUM ION
Authors:Rugema, N.Y, Lyon, A.M.
Deposit date:2019-07-02
Release date:2020-07-08
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.73 Å)
Cite:Structure of phospholipase C epsilon reveals an integrated RA1 domain and previously unidentified regulatory elements.
Commun Biol, 3, 2020
6FGK
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BU of 6fgk by Molmil
Crystal structure of the small alarmone synthethase 2 from Bacillus subtilis
Descriptor: GTP pyrophosphokinase YwaC
Authors:Bange, G, Vogt, M, Steinchen, W, Altegoer, F.
Deposit date:2018-01-11
Release date:2018-02-07
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (3.2 Å)
Cite:Structural and mechanistic divergence of the small (p)ppGpp synthetases RelP and RelQ.
Sci Rep, 8, 2018
6JDA
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BU of 6jda by Molmil
Crystal structure of N-acetyl mannosmaine kinase in complex with N-acetylmannosamine in Pasteurella multocida
Descriptor: 2-acetamido-2-deoxy-alpha-D-mannopyranose, GLYCEROL, N-acetylmannosamine kinase, ...
Authors:Thanuja, G, Ramaswamy, S.
Deposit date:2019-01-31
Release date:2020-02-05
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:Structure and Function of N‐Acetylmannosamine Kinases from Pathogenic Bacteria.
Acs Omega, 5, 2020
7AGH
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BU of 7agh by Molmil
Crystal structure of SF kinase YihV from E. coli in complex with AMPPNP-Mg
Descriptor: MAGNESIUM ION, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER, Sulfofructose kinase
Authors:Sharma, M, Davies, G.J, Jin, Y.
Deposit date:2020-09-22
Release date:2021-04-14
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.93 Å)
Cite:Molecular Basis of Sulfosugar Selectivity in Sulfoglycolysis.
Acs Cent.Sci., 7, 2021
6XZS
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BU of 6xzs by Molmil
Crystal structure of human carbonic anhydrase I in complex with 4-(3-(2-((4-fluorobenzyl)amino)ethyl)ureido) benzenesulfonamide
Descriptor: 1-[2-[(4-fluorophenyl)methylamino]ethyl]-3-(4-sulfamoylphenyl)urea, Carbonic anhydrase 1, ZINC ION
Authors:Zanotti, G, Majid, A, Bozdag, M, Angeli, A, Carta, F, Berto, F, Supuran, C.T.
Deposit date:2020-02-05
Release date:2020-09-23
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.53 Å)
Cite:Benzylaminoethyureido-Tailed Benzenesulfonamides: Design, Synthesis, Kinetic and X-ray Investigations on Human Carbonic Anhydrases.
Int J Mol Sci, 21, 2020
7ARO
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BU of 7aro by Molmil
Crystal structure of the non-ribose partial agonist LUF5833 bound to the adenosine A2A receptor
Descriptor: 2-azanyl-6-(1~{H}-imidazol-2-ylmethylsulfanyl)-4-phenyl-pyridine-3,5-dicarbonitrile, Adenosine receptor A2a,Soluble cytochrome b562,Adenosine receptor A2a, CHOLESTEROL, ...
Authors:Verdon, G, Amelia, T, van Veldhoven, J, Falsini, M, Liu, R, Heitman, L, van Westen, G, Segala, E, Cheng, R, Cooke, R, van der Es, D, Ijzerman, A.
Deposit date:2020-10-25
Release date:2021-04-07
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (3.119 Å)
Cite:Crystal Structure and Subsequent Ligand Design of a Nonriboside Partial Agonist Bound to the Adenosine A 2A Receptor.
J.Med.Chem., 64, 2021
6XZY
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BU of 6xzy by Molmil
crystal structure of human carbonic anhydrase I in complex with 4-(3-(2-((2-fluorobenzyl)amino)ethyl)ureido) benzenesulfonamide
Descriptor: 1-[2-[(2-fluorophenyl)methylamino]ethyl]-3-(3-sulfamoylphenyl)urea, Carbonic anhydrase 1, ZINC ION
Authors:Zanotti, G, Majid, A, Bozdag, M, Angeli, A, Carta, F, Berto, P, Supuran, C.
Deposit date:2020-02-05
Release date:2020-09-23
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.66 Å)
Cite:Benzylaminoethyureido-Tailed Benzenesulfonamides: Design, Synthesis, Kinetic and X-ray Investigations on Human Carbonic Anhydrases.
Int J Mol Sci, 21, 2020
7SCW
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BU of 7scw by Molmil
KRAS full length wild-type in complex with RGL1 Ras association domain
Descriptor: 5'-GUANOSINE-DIPHOSPHATE-MONOTHIOPHOSPHATE, Isoform 2B of GTPase KRas, MAGNESIUM ION, ...
Authors:Eves, B.J, Kuntz, D.A, Ikura, M, Marshall, C.B.
Deposit date:2021-09-29
Release date:2022-05-18
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (1.98 Å)
Cite:Structures of RGL1 RAS-Association Domain in Complex with KRAS and the Oncogenic G12V Mutant.
J.Mol.Biol., 434, 2022
7ZAN
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BU of 7zan by Molmil
Crystal Structure of human IL-17A in complex with IL-17RA and IL-17RC
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Interleukin-17 receptor A, Interleukin-17A, ...
Authors:Rondeau, J.M, Goepfert, A.
Deposit date:2022-03-22
Release date:2022-10-12
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (5.061 Å)
Cite:IL-17-induced dimerization of IL-17RA drives the formation of the IL-17 signalosome to potentiate signaling.
Cell Rep, 41, 2022
6FH8
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BU of 6fh8 by Molmil
E. coli surface display of streptavidin for directed evolution of an allylic deallocase
Descriptor: Streptavidin, biotinylated ruthenium cyclopentadienide
Authors:Heinisch, T, Schwizer, F, Garabedian, B, Csibra, E, Jeschek, M, Pinheiro Bernhardes, V, Marliere, P, Panke, S, Ward, T.R.
Deposit date:2018-01-12
Release date:2018-08-22
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (1.64 Å)
Cite:E. colisurface display of streptavidin for directed evolution of an allylic deallylase.
Chem Sci, 9, 2018
7AG7
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BU of 7ag7 by Molmil
Crystal structure of SFP aldolase YihT from Salmonella enterica in complex with sulfate bound at the active site
Descriptor: SULFATE ION, Sulfofructosephosphate aldolase
Authors:Sharma, M, Davies, G.J.
Deposit date:2020-09-21
Release date:2021-04-14
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Molecular Basis of Sulfosugar Selectivity in Sulfoglycolysis.
Acs Cent.Sci., 7, 2021

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數據於2024-10-02公開中

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