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7ST3
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BU of 7st3 by Molmil
Consequences of HLA single chain trimer mutations on peptide presentation and binding affinity
Descriptor: Protein E7 peptide,Beta-2-microglobulin,MHC class I antigen chimera, VHH
Authors:Finton, K.A.K, Rupert, P.B.
Deposit date:2021-11-11
Release date:2022-11-23
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (2.78 Å)
Cite:Effects of HLA single chain trimer design on peptide presentation and stability.
Front Immunol, 14, 2023
6MLM
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BU of 6mlm by Molmil
H7 HA0 in complex with Fv from H7.5 IgG
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Heavy chain Fv of H7.5 Fab, Hemagglutinin HA1 chain, ...
Authors:Pallesen, J, Turner, H.L, Ward, A.B.
Deposit date:2018-09-27
Release date:2019-02-20
Last modified:2020-07-29
Method:ELECTRON MICROSCOPY (3.5 Å)
Cite:Potent anti-influenza H7 human monoclonal antibody induces separation of hemagglutinin receptor-binding head domains.
PLoS Biol., 17, 2019
7STG
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BU of 7stg by Molmil
Consequences of HLA single chain trimer mutations on peptide presentation and binding affinity
Descriptor: RPA-related protein RADX peptide,Beta-2-microglobulin,MHC class I antigen chimera, VHH
Authors:Finton, K.A.K, Rupert, P.B.
Deposit date:2021-11-12
Release date:2022-11-23
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Effects of HLA single chain trimer design on peptide presentation and stability.
Front Immunol, 14, 2023
5X24
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BU of 5x24 by Molmil
Crystal structure of CYP2C9 genetic variant I359L (*3) in complex with multiple losartan molecules
Descriptor: Cytochrome P450 2C9, PHOSPHATE ION, POTASSIUM ION, ...
Authors:Maekawa, K, Adachi, M, Shah, M.B.
Deposit date:2017-01-30
Release date:2017-10-25
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.48 Å)
Cite:Structural Basis of Single-Nucleotide Polymorphisms in Cytochrome P450 2C9
Biochemistry, 56, 2017
7PZS
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BU of 7pzs by Molmil
LpxC Inhibitors With Fluoroproline As A Novel Zinc-Binding Group Can Serve As A Novel Class of Antibiotic With Activity Against Multidrug-Resistant Gram-Negative Bacteria
Descriptor: (2S,4S)-N-((3R,5R)-5-((2-chloro-4-((4-(morpholinomethyl)phenyl)ethynyl)benzamido)methyl)-1-(cyclopropanecarbonyl)pyrrolidin-3-yl)-4-fluoropyrrolidine-2-carboxamide, UDP-3-O-acyl-N-acetylglucosamine deacetylase, ZINC ION
Authors:Ryan, M.D, Pallin, T.D, Lamers, M.B.A.C, Leonard, P.M.
Deposit date:2021-10-13
Release date:2022-11-02
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.45 Å)
Cite:LpxC Inhibitors With Fluoroproline As A Novel Zinc-Binding Group Can Serve As A Novel Class of Antibiotic With Activity Against Multidrug-Resistant Gram-Negative Bacteria
To Be Published
7PZV
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BU of 7pzv by Molmil
LpxC Inhibitors With Fluoroproline As A Novel Zinc-Binding Group Can Serve As A Novel Class of Antibiotic With Activity Against Multidrug-Resistant Gram-Negative Bacteria
Descriptor: (2S,4S)-N-[(3R,5R)-1-cyclopropylcarbonyl-5-[[[4-[2-[4-[(1S)-2-methoxy-1-oxidanyl-ethyl]phenyl]ethynyl]phenyl]carbonylamino]methyl]pyrrolidin-3-yl]-4-fluoranyl-pyrrolidine-2-carboxamide, UDP-3-O-acyl-N-acetylglucosamine deacetylase, ZINC ION
Authors:Ryan, M.D, Pallin, T.D, Lamers, M.B.A.C, Leonard, P.M.
Deposit date:2021-10-13
Release date:2022-11-02
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.92 Å)
Cite:LpxC Inhibitors With Fluoroproline As A Novel Zinc-Binding Group Can Serve As A Novel Class of Antibiotic With Activity Against Multidrug-Resistant Gram-Negative Bacteria
To Be Published
6VXI
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BU of 6vxi by Molmil
Structure of ABCG2 bound to mitoxantrone
Descriptor: 1,4-DIHYDROXY-5,8-BIS({2-[(2-HYDROXYETHYL)AMINO]ETHYL}AMINO)-9,10-ANTHRACENEDIONE, Broad substrate specificity ATP-binding cassette transporter ABCG2, CHOLESTEROL
Authors:Orlando, B.J, Liao, M.
Deposit date:2020-02-21
Release date:2020-05-13
Last modified:2020-05-20
Method:ELECTRON MICROSCOPY (3.7 Å)
Cite:ABCG2 transports anticancer drugs via a closed-to-open switch.
Nat Commun, 11, 2020
7PZU
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BU of 7pzu by Molmil
LpxC Inhibitors With Fluoroproline As A Novel Zinc-Binding Group Can Serve As A Novel Class of Antibiotic With Activity Against Multidrug-Resistant Gram-Negative Bacteria
Descriptor: (2S,4S)-N-((3R,5R)-1-(cyclopropanecarbonyl)-5-((3-fluoro-4-((4-(morpholinomethyl)phenyl)ethynyl)benzamido)methyl)pyrrolidin-3-yl)-4-fluoropyrrolidine-2-carboxamide, UDP-3-O-acyl-N-acetylglucosamine deacetylase, ZINC ION
Authors:Ryan, M.D, Pallin, T.D, Lamers, M.B.A.C, Leonard, P.M.
Deposit date:2021-10-13
Release date:2022-11-02
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.15 Å)
Cite:LpxC Inhibitors With Fluoroproline As A Novel Zinc-Binding Group Can Serve As A Novel Class of Antibiotic With Activity Against Multidrug-Resistant Gram-Negative Bacteria
To Be Published
7Q01
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BU of 7q01 by Molmil
LpxC Inhibitors With Fluoroproline As A Novel Zinc-Binding Group Can Serve As A Novel Class of Antibiotic With Activity Against Multidrug-Resistant Gram-Negative Bacteria
Descriptor: (2S,4S)-N-((3R,5R)-1-(cyclopropanecarbonyl)-5-((4-(((1R,2R)-2-(methoxymethyl)cyclopropyl)buta-1,3-diyn-1-yl)benzamido)methyl)pyrrolidin-3-yl)-4-fluoropyrrolidine-2-carboxamide, UDP-3-O-acyl-N-acetylglucosamine deacetylase, ZINC ION
Authors:Ryan, M.D, Pallin, T.D, Lamers, M.B.A.C, Leonard, P.M.
Deposit date:2021-10-13
Release date:2022-11-02
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.01 Å)
Cite:LpxC Inhibitors With Fluoroproline As A Novel Zinc-Binding Group Can Serve As A Novel Class of Antibiotic With Activity Against Multidrug-Resistant Gram-Negative Bacteria
To Be Published
6VXH
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BU of 6vxh by Molmil
Structure of ABCG2 bound to imatinib
Descriptor: 4-(4-METHYL-PIPERAZIN-1-YLMETHYL)-N-[4-METHYL-3-(4-PYRIDIN-3-YL-PYRIMIDIN-2-YLAMINO)-PHENYL]-BENZAMIDE, Broad substrate specificity ATP-binding cassette transporter ABCG2, CHOLESTEROL
Authors:Orlando, B.J, Liao, M.
Deposit date:2020-02-21
Release date:2020-05-13
Last modified:2020-05-20
Method:ELECTRON MICROSCOPY (4 Å)
Cite:ABCG2 transports anticancer drugs via a closed-to-open switch.
Nat Commun, 11, 2020
6Y2B
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BU of 6y2b by Molmil
Crystal structure of HLA-B2709 complexed with the nona-peptide mQ
Descriptor: Beta-2-microglobulin, GLYCEROL, Lymphocyte antigen HLA-B27, ...
Authors:Loll, B, Rueckert, C, Ziegler, B.-U, Ziegler, A.
Deposit date:2020-02-15
Release date:2020-12-23
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.37 Å)
Cite:A CENTRAL PEPTIDE RESIDUE CAN CONTROL MHC POLYMORPHISM-DEPENDENT ANTIGEN PRESENTATION
to be published
6D9Z
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BU of 6d9z by Molmil
Structure of CysZ, a sulfate permease from Pseudomonas Denitrificans
Descriptor: Sulfate transporter CysZ, octyl beta-D-glucopyranoside
Authors:Sanghai, Z.A, Clarke, O.B, Liu, Q, Banerjee, S, Rajashankar, K.R, Hendrickson, W.A, Mancia, F.
Deposit date:2018-04-30
Release date:2018-05-23
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (3.4021318 Å)
Cite:Structure-based analysis of CysZ-mediated cellular uptake of sulfate.
Elife, 7, 2018
6YCX
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BU of 6ycx by Molmil
Plasmodium falciparum Myosin A full-length, pre-powerstroke state
Descriptor: ADENOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, Myosin A tail domain interacting protein, ...
Authors:Moussaoui, D, Robblee, J.P, Auguin, D, Krementsova, E.B, Robert-Paganin, J, Trybus, K.M, Houdusse, A.
Deposit date:2020-03-19
Release date:2020-11-11
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (3.99 Å)
Cite:Full-length Plasmodium falciparum myosin A and essential light chain PfELC structures provide new anti-malarial targets.
Elife, 9, 2020
6W4V
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BU of 6w4v by Molmil
Structure of anti-ferroportin Fab45D8
Descriptor: 1,2-ETHANEDIOL, Fab45D8 Heavy Chain, Fab45D8 Light Chain
Authors:Billesboelle, C.B, Azumaya, C.M, Gonen, S, Powers, A, Kretsch, R.C, Schneider, S, Arvedson, T, Dror, R.O, Cheng, Y, Manglik, A.
Deposit date:2020-03-11
Release date:2020-09-09
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Structure of hepcidin-bound ferroportin reveals iron homeostatic mechanisms.
Nature, 586, 2020
6YES
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BU of 6yes by Molmil
Crystal structure of type I-D CRISPR-Cas nuclease Cas10d
Descriptor: CRISPR-associated protein, CscA, ZINC ION
Authors:Brodersen, D.E, Van, L.B, Manav, M.C.
Deposit date:2020-03-25
Release date:2020-10-28
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (4.1 Å)
Cite:Structural basis for inhibition of an archaeal CRISPR-Cas type I-D large subunit by an anti-CRISPR protein.
Nat Commun, 11, 2020
6MYD
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BU of 6myd by Molmil
Structure of zebrafish TRAF6 in complex with STING CTT
Descriptor: STING CTT, Transmembrane protein 173, SULFATE ION, ...
Authors:de Oliveira Mann, C.C, Orzalli, M.H, King, D.S, Kagan, J.C, Lee, A.S.Y, Kranzusch, P.J.
Deposit date:2018-11-01
Release date:2019-05-01
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.399 Å)
Cite:Modular Architecture of the STING C-Terminal Tail Allows Interferon and NF-kappa B Signaling Adaptation.
Cell Rep, 27, 2019
7PZX
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BU of 7pzx by Molmil
LpxC Inhibitors With Fluoroproline As A Novel Zinc-Binding Group Can Serve As A Novel Class of Antibiotic With Activity Against Multidrug-Resistant Gram-Negative Bacteria
Descriptor: (2S,4S)-N-((3R,5R)-1-(cyclopropanecarbonyl)-5-((4-((4-((S)-2-hydroxy-1-methoxyethyl)phenyl)ethynyl)benzamido)methyl)pyrrolidin-3-yl)-4-fluoropyrrolidine-2-carboxamide, UDP-3-O-acyl-N-acetylglucosamine deacetylase, ZINC ION
Authors:Ryan, M.D, Pallin, T.D, Lamers, M.B.A.C, Leonard, P.M.
Deposit date:2021-10-13
Release date:2022-11-23
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.39 Å)
Cite:LpxC Inhibitors With Fluoroproline As A Novel Zinc-Binding Group Can Serve As A Novel Class of Antibiotic With Activity Against Multidrug-Resistant Gram-Negative Bacteria
To Be Published
8JAO
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BU of 8jao by Molmil
Crystal structure of B1 IMP-1 MBL in complex with 2-amino-5-phenethylthiazole-4-carboxylic acid
Descriptor: 2-azanyl-5-(2-phenylethyl)-1,3-thiazole-4-carboxylic acid, Beta-lactamase, ZINC ION
Authors:Yan, Y.-H, Li, G.-B.
Deposit date:2023-05-06
Release date:2023-11-01
Method:X-RAY DIFFRACTION (2.194 Å)
Cite:Discovery of 2-Aminothiazole-4-carboxylic Acids as Broad-Spectrum Metallo-beta-lactamase Inhibitors by Mimicking Carbapenem Hydrolysate Binding.
J.Med.Chem., 66, 2023
6N2W
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BU of 6n2w by Molmil
The structure of Stable-5-Lipoxygenase bound to NDGA
Descriptor: 4-[(2R,3S)-3-[(3,4-DIHYDROXYPHENYL)METHYL]-2-METHYLBUTYL]BENZENE-1,2-DIOL, Arachidonate 5-lipoxygenase, FE (II) ION
Authors:Newcomer, M.E, Gilbert, N.C, Neau, D.B.
Deposit date:2018-11-14
Release date:2020-05-13
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.71 Å)
Cite:Structural and mechanistic insights into 5-lipoxygenase inhibition by natural products.
Nat.Chem.Biol., 16, 2020
6W40
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BU of 6w40 by Molmil
An enumerative algorithm for de novo design of proteins with diverse pocket structures
Descriptor: DENOVO NTF2
Authors:Bera, A.K, Basanta, B, Sankaran, B, Baker, D.
Deposit date:2020-03-09
Release date:2020-04-08
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (2.49 Å)
Cite:An enumerative algorithm for de novo design of proteins with diverse pocket structures.
Proc.Natl.Acad.Sci.USA, 117, 2020
8J7B
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BU of 8j7b by Molmil
Coordinates of Cryo-EM structure of the Arabidopsis thaliana PSI in state 2 (PSI-ST2)
Descriptor: (3R,3'R,6S)-4,5-DIDEHYDRO-5,6-DIHYDRO-BETA,BETA-CAROTENE-3,3'-DIOL, (3S,5R,6S,3'S,5'R,6'S)-5,6,5',6'-DIEPOXY-5,6,5',6'- TETRAHYDRO-BETA,BETA-CAROTENE-3,3'-DIOL, 1,2-DIPALMITOYL-PHOSPHATIDYL-GLYCEROLE, ...
Authors:Chen, S.J.B, Wu, J.H, Sui, S.F, Zhang, L.X.
Deposit date:2023-04-27
Release date:2023-11-15
Last modified:2024-05-29
Method:ELECTRON MICROSCOPY (3.22 Å)
Cite:Regulatory dynamics of the higher-plant PSI-LHCI supercomplex during state transitions.
Mol Plant, 16, 2023
6PCI
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BU of 6pci by Molmil
EBOV GPdMuc (Makona) in complex with rEBOV-520 and rEBOV-548 Fabs
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Virion spike glycoprotein, Virion spike glycoprotein,Virion spike glycoprotein,Ebola Virus (Makona) GP2, ...
Authors:Ward, A.B, Murin, C.D, Alkutkar, T.
Deposit date:2019-06-17
Release date:2020-03-11
Last modified:2020-07-29
Method:ELECTRON MICROSCOPY (4.12 Å)
Cite:Analysis of a Therapeutic Antibody Cocktail Reveals Determinants for Cooperative and Broad Ebolavirus Neutralization.
Immunity, 52, 2020
8J7A
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BU of 8j7a by Molmil
Coordinates of Cryo-EM structure of the Arabidopsis thaliana PSI in state 1 (PSI-ST1)
Descriptor: (3R,3'R,6S)-4,5-DIDEHYDRO-5,6-DIHYDRO-BETA,BETA-CAROTENE-3,3'-DIOL, (3S,5R,6S,3'S,5'R,6'S)-5,6,5',6'-DIEPOXY-5,6,5',6'- TETRAHYDRO-BETA,BETA-CAROTENE-3,3'-DIOL, 1,2-DIPALMITOYL-PHOSPHATIDYL-GLYCEROLE, ...
Authors:Chen, S.J.B, Wu, J.H, Sui, S.F, Zhang, L.X.
Deposit date:2023-04-27
Release date:2023-11-15
Last modified:2024-05-29
Method:ELECTRON MICROSCOPY (3.06 Å)
Cite:Regulatory dynamics of the higher-plant PSI-LHCI supercomplex during state transitions.
Mol Plant, 16, 2023
6PD7
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BU of 6pd7 by Molmil
Crystal Structure of EcDsbA in a complex with purified morpholine carboxylic acid 7
Descriptor: (3R)-4-{[4-(4-cyano-3-methylphenoxy)phenyl]acetyl}morpholine-3-carboxylic acid, Thiol:disulfide interchange protein DsbA
Authors:Ilyichova, O.V, Bentley, M, Doak, B, Scanlon, M.J.
Deposit date:2019-06-18
Release date:2020-05-06
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.92 Å)
Cite:Rapid Elaboration of Fragments into Leads by X-ray Crystallographic Screening of Parallel Chemical Libraries (REFiL X ).
J.Med.Chem., 63, 2020
6MSR
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BU of 6msr by Molmil
Crystal structure of pRO-2.5
Descriptor: pRO-2.5
Authors:Bick, M.J, Sankaran, B, Boyken, S.E, Baker, D.
Deposit date:2018-10-17
Release date:2019-05-08
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (1.55 Å)
Cite:De novo design of tunable, pH-driven conformational changes.
Science, 364, 2019

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數據於2024-09-25公開中

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