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8P37
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BU of 8p37 by Molmil
Structure a catalytically inactive mutant of the IMP dehydrogenase related protein GUAB3 from Synechocystis PCC 6803
Descriptor: IMP dehydrogenase subunit, NICOTINAMIDE-ADENINE-DINUCLEOTIDE, XANTHOSINE-5'-MONOPHOSPHATE
Authors:Hernandez-Gomez, A, Fernandez-Justel, D, Buey, R.M.
Deposit date:2023-05-17
Release date:2024-03-27
Method:X-RAY DIFFRACTION (1.219 Å)
Cite:GuaB3, an overlooked enzyme in cyanobacteria's toolbox that sheds light on IMP dehydrogenase evolution.
Structure, 31, 2023
8CR7
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BU of 8cr7 by Molmil
Crystal structure of recombinant LasB from Pseudomonas aeruginosa PA7
Descriptor: CALCIUM ION, Pro-elastase, ZINC ION
Authors:Kolling, D, Koehnke, J.
Deposit date:2023-03-07
Release date:2023-07-05
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Facile Production of the Pseudomonas aeruginosa Virulence Factor LasB in Escherichia coli for Structure-Based Drug Design.
Chembiochem, 24, 2023
8CR3
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BU of 8cr3 by Molmil
Crystal structure of recombinant LasB from Pseudomonas aeruginosa PAO1
Descriptor: CALCIUM ION, Pro-elastase, ZINC ION
Authors:Kolling, D, Koehnke, J.
Deposit date:2023-03-07
Release date:2023-07-05
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (1.12 Å)
Cite:Facile Production of the Pseudomonas aeruginosa Virulence Factor LasB in Escherichia coli for Structure-Based Drug Design.
Chembiochem, 24, 2023
8ONG
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BU of 8ong by Molmil
Structure of the endothelial monocyte activating polypeptide II (EMAP II) in solution
Descriptor: Aminoacyl tRNA synthase complex-interacting multifunctional protein 1
Authors:Lozhko, D, Kolomiiets, L, Kornelyuk, A.I, Zhukov, I.
Deposit date:2023-04-02
Release date:2024-04-10
Method:SOLUTION NMR, SOLUTION SCATTERING
Cite:Structural analysis and conformational flexibility of endothelial monocyte activating polypeptide II (EMAP II) by means NMR spectroscopy and molecular dynamics simulations
To Be Published
8CR0
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BU of 8cr0 by Molmil
Crystal structure of human carbonic anhydrase II in complex with a triazolyl benzoxaborole inhibitor
Descriptor: 1-[1,1-bis(oxidanyl)-3~{H}-2,1$l^{4}-benzoxaborol-6-yl]-4-[(4-fluoranylphenoxy)methyl]-1,2,3-triazole, Carbonic anhydrase 2, DIMETHYL SULFOXIDE, ...
Authors:Alterio, V, De Simone, G, Esposito, D.
Deposit date:2023-03-07
Release date:2023-06-21
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (1.22 Å)
Cite:6-Substituted Triazolyl Benzoxaboroles as Selective Carbonic Anhydrase Inhibitors: In Silico Design, Synthesis, and X-ray Crystallography.
J.Med.Chem., 66, 2023
8CHX
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BU of 8chx by Molmil
Structure and function of LolA from Vibrio cholerae
Descriptor: Outer-membrane lipoprotein carrier protein, ZINC ION
Authors:Jaiman, D, Nagampalli, R, Persson, K.
Deposit date:2023-02-08
Release date:2023-06-21
Last modified:2024-06-19
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:A comparative analysis of lipoprotein transport proteins: LolA and LolB from Vibrio cholerae and LolA from Porphyromonas gingivalis.
Sci Rep, 13, 2023
8P36
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BU of 8p36 by Molmil
Neisseria meningitidis Type IV pilus SB-DATDH variant
Descriptor: 2,4-bisacetamido-2,4,6-trideoxy-beta-D-glucopyranose, Neisseria meningitidis PilE, SB-DATDH variant, ...
Authors:Fernandez-Martinez, D, Dumenil, G.
Deposit date:2023-05-17
Release date:2024-04-03
Method:ELECTRON MICROSCOPY (2.51 Å)
Cite:Cryo-EM structures of type IV pili complexed with nanobodies reveal immune escape mechanisms.
Nat Commun, 15, 2024
8CR4
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BU of 8cr4 by Molmil
Crystal structure of recombinant LasBArtif from Pseudomonas aeruginosa AZPAE14816
Descriptor: CALCIUM ION, Pro-elastase, ZINC ION
Authors:Kolling, D, Koehnke, J.
Deposit date:2023-03-07
Release date:2023-07-05
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (0.91 Å)
Cite:Facile Production of the Pseudomonas aeruginosa Virulence Factor LasB in Escherichia coli for Structure-Based Drug Design.
Chembiochem, 24, 2023
3NL6
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BU of 3nl6 by Molmil
The Crystal Structure of Candida glabrata THI6, a Bifunctional Enzyme involved in Thiamin Biosyhthesis of Eukaryotes
Descriptor: MAGNESIUM ION, PHOSPHOMETHYLPHOSPHONIC ACID ADENYLATE ESTER, THIAMIN PHOSPHATE, ...
Authors:Paul, D, Chatterjee, A, Begley, T.P, Ealick, S.E.
Deposit date:2010-06-21
Release date:2010-11-10
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (2.612 Å)
Cite:Domain Organization in Candida glabrata THI6, a Bifunctional Enzyme Required for Thiamin Biosynthesis in Eukaryotes .
Biochemistry, 49, 2010
7ASD
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BU of 7asd by Molmil
Structure of native royal jelly filaments
Descriptor: (3beta,14beta,17alpha)-ergosta-5,24(28)-dien-3-ol, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Mattei, S, Ban, A, Picenoni, A, Leibundgut, M, Glockshuber, R, Boehringer, D.
Deposit date:2020-10-27
Release date:2020-12-30
Method:ELECTRON MICROSCOPY (3.5 Å)
Cite:Structure of native glycolipoprotein filaments in honeybee royal jelly.
Nat Commun, 11, 2020
4MGR
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BU of 4mgr by Molmil
The crystal structure of Bacillus subtilis GabR, an autorepressor and PLP- and GABA-dependent transcriptional activator of gabT
Descriptor: ACETATE ION, HTH-type transcriptional regulatory protein GabR, IMIDAZOLE, ...
Authors:Wu, R, Edayathumangalam, R, Garcia, R, Wang, Y, Wang, W, Kreinbring, C.A, Bach, A, Liao, J, Stone, T, Terwilliger, T, Hoang, Q.Q, Belitsky, B.R, Petsko, G.A, Ringe, D, Liu, D.
Deposit date:2013-08-28
Release date:2013-10-30
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.55 Å)
Cite:Crystal structure of Bacillus subtilis GabR, an autorepressor and transcriptional activator of gabT.
Proc.Natl.Acad.Sci.USA, 110, 2013
8CBD
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BU of 8cbd by Molmil
SARS-CoV-2 Delta-RBD complexed with BA.4/5-1 and EY6A Fabs
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, BA.4/5-1 heavy chain, BA.4/5-1 light chain, ...
Authors:Zhou, D, Ren, J, Stuart, D.I.
Deposit date:2023-01-25
Release date:2024-02-07
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (3.52 Å)
Cite:Emerging variants develop total escape from potent monoclonal antibodies induced by BA.4/5 infection.
Nat Commun, 15, 2024
8ORS
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BU of 8ors by Molmil
Knockout of GMC-oxidoreductase genes reveals that functional redundancy preserves mimivirus essential functions
Descriptor: FLAVIN-ADENINE DINUCLEOTIDE, Putative GMC-type oxidoreductase
Authors:Alempic, J.M, Bisio, H, Villalta, A, Santini, S, Lartigue, A, Schmitt, A, Bugnot, C, Notaro, A, Belmudes, L, Adrait, A, Poirot, O, Ptchelkine, D, De Castro, C, Coute, Y, Abergel, C.
Deposit date:2023-04-17
Release date:2024-04-17
Last modified:2024-05-08
Method:ELECTRON MICROSCOPY (4.3 Å)
Cite:Functional redundancy revealed by the deletion of the mimivirus GMC-oxidoreductase genes.
Microlife, 5, 2024
8ORH
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BU of 8orh by Molmil
Knockout of GMC-oxidoreductase genes reveals that functional redundancy preserves mimivirus essential functions
Descriptor: FLAVIN-ADENINE DINUCLEOTIDE, Putative GMC-type oxidoreductase
Authors:Alempic, J.M, Bisio, H, Villalta, A, Santini, S, Lartigue, A, Schmitt, A, Bugnot, C, Notaro, A, Belmudes, L, Adrait, A, Poirot, O, Ptchelkine, D, De Castro, C, Coute, Y, Abergel, C.
Deposit date:2023-04-14
Release date:2024-04-17
Last modified:2024-05-08
Method:ELECTRON MICROSCOPY (4.2 Å)
Cite:Functional redundancy revealed by the deletion of the mimivirus GMC-oxidoreductase genes.
Microlife, 5, 2024
7B3D
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BU of 7b3d by Molmil
Structure of elongating SARS-CoV-2 RNA-dependent RNA polymerase with AMP at position -4 (structure 3)
Descriptor: RNA (5'-R(P*CP*UP*AP*CP*GP*CP*AP*GP*UP*G)-3'), RNA (5'-R(P*UP*GP*CP*AP*CP*UP*GP*CP*GP*UP*AP*G)-3'), SARS-CoV-2 RNA-dependent RNA polymerase nsp12, ...
Authors:Kokic, G, Hillen, H.S, Tegunov, D, Dienemann, C, Seitz, F, Schmitzova, J, Farnung, L, Siewert, A, Hoebartner, C, Cramer, P.
Deposit date:2020-11-30
Release date:2020-12-23
Last modified:2024-05-01
Method:ELECTRON MICROSCOPY (2.8 Å)
Cite:Mechanism of SARS-CoV-2 polymerase stalling by remdesivir.
Nat Commun, 12, 2021
8CCK
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BU of 8cck by Molmil
Crystal structure of Mycobacterium smegmatis thioredoxin reductase in complex with fragment F2X-Entry H07
Descriptor: FLAVIN-ADENINE DINUCLEOTIDE, GLYCEROL, MAGNESIUM ION, ...
Authors:Fuesser, F.T, Koch, O, Kuemmel, D.
Deposit date:2023-01-27
Release date:2024-02-07
Method:X-RAY DIFFRACTION (1.63 Å)
Cite:Fragment-based design of mycobacterial thioredoxin reductase inhibitors based on computational exploration of a huge virtual space
To Be Published
8CBF
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BU of 8cbf by Molmil
SARS-CoV-2 Delta-RBD complexed with Omi-42 and Beta-49 Fabs
Descriptor: Beta-49 heavy chain, Beta-49 light chain, CHLORIDE ION, ...
Authors:Zhou, D, Ren, J, Stuart, D.I.
Deposit date:2023-01-25
Release date:2024-02-07
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (2.33 Å)
Cite:Emerging variants develop total escape from potent monoclonal antibodies induced by BA.4/5 infection.
Nat Commun, 15, 2024
8CBE
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BU of 8cbe by Molmil
SARS-CoV-2 Delta-RBD complexed with BA.4/5-2 and Beta-49 Fabs
Descriptor: BA.4/5-2 heavy chain, BA.4/5-2 light chain, Beta-49 heavy chain, ...
Authors:Zhou, D, Ren, J, Stuart, D.I.
Deposit date:2023-01-25
Release date:2024-02-07
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (3.16 Å)
Cite:Emerging variants develop total escape from potent monoclonal antibodies induced by BA.4/5 infection.
Nat Commun, 15, 2024
8CDT
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BU of 8cdt by Molmil
Crystal structure of the xNup93-Nb2t VHH antibody
Descriptor: 15-Nup93 tracking VHH antibody, GLYCEROL
Authors:Guttler, T, Colom, M.S, Gorlich, D.
Deposit date:2023-02-01
Release date:2024-02-21
Last modified:2024-06-12
Method:X-RAY DIFFRACTION (1.41 Å)
Cite:A checkpoint function for Nup98 in nuclear pore formation suggested by novel inhibitory nanobodies.
Embo J., 43, 2024
8CCL
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BU of 8ccl by Molmil
Crystal structure of Mycobacterium smegmatis thioredoxin reductase in complex with fragment F2X-Entry A09
Descriptor: FLAVIN-ADENINE DINUCLEOTIDE, GLYCEROL, MAGNESIUM ION, ...
Authors:Fuesser, F.T, Koch, O, Kuemmel, D.
Deposit date:2023-01-27
Release date:2024-02-07
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Fragment-based design of mycobacterial thioredoxin reductase inhibitors based on computational exploration of a huge virtual space
To Be Published
8CCJ
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BU of 8ccj by Molmil
Crystal structure of Mycobacterium smegmatis thioredoxin reductase in complex with NADPH
Descriptor: DIMETHYL SULFOXIDE, FLAVIN-ADENINE DINUCLEOTIDE, GLYCEROL, ...
Authors:Fuesser, F.T, Koch, O, Kuemmel, D.
Deposit date:2023-01-27
Release date:2024-02-07
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Fragment-based design of mycobacterial thioredoxin reductase inhibitors based on computational exploration of a huge virtual space
To Be Published
8CCM
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BU of 8ccm by Molmil
Crystal structure of Mycobacterium smegmatis thioredoxin reductase in complex with Compound 2-06
Descriptor: CHLORIDE ION, FLAVIN-ADENINE DINUCLEOTIDE, GLYCEROL, ...
Authors:Fuesser, F.T, Koch, O, Kuemmel, D.
Deposit date:2023-01-27
Release date:2024-02-07
Method:X-RAY DIFFRACTION (1.73 Å)
Cite:Fragment-based design of mycobacterial thioredoxin reductase inhibitors based on computational exploration of a huge virtual space
To Be Published
7AJU
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BU of 7aju by Molmil
Cryo-EM structure of the 90S-exosome super-complex (state Post-A1-exosome)
Descriptor: 13 kDa ribonucleoprotein-associated protein, 18S rRNA, 40S ribosomal protein S1-A, ...
Authors:Cheng, J, Lau, B, Flemming, D, Venuta, G.L, Berninghausen, O, Beckmann, R, Hurt, E.
Deposit date:2020-09-29
Release date:2020-12-30
Last modified:2024-05-01
Method:ELECTRON MICROSCOPY (3.8 Å)
Cite:Structure of the Maturing 90S Pre-ribosome in Association with the RNA Exosome.
Mol.Cell, 81, 2021
8CK2
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BU of 8ck2 by Molmil
MUC2 CysD1 G1352S
Descriptor: ACETATE ION, CALCIUM ION, Mucin-2, ...
Authors:Khmelnitsky, L, Fass, D.
Deposit date:2023-02-14
Release date:2024-02-28
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Pulmonary Fibrosis Mutation Undermines Mucin 5B Supramolecular Assembly
To Be Published
7ATS
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BU of 7ats by Molmil
The LIMK1 Kinase Domain Bound To LIJTF500127
Descriptor: LIM domain kinase 1, N-[3-[5-(4-Chlorophenyl)-1H-pyrrolo[2,3-b]pyridine-3-carbonyl]-2,4-difluorophenyl]benzenesulfonamide
Authors:Mathea, S, Chatterjee, D, Preuss, F, Yamamoto, S, Tawada, M, Nomura, I, Takagi, T, Ahmed, M, Little, W, Mueller-Knapp, S, Knapp, S.
Deposit date:2020-10-30
Release date:2020-11-25
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:The LIMK1 Kinase Domain Bound To LIJTF500127
To Be Published

224004

數據於2024-08-21公開中

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