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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
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
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
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
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
7NAM
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BU of 7nam by Molmil
LRP6_E1 in complex with Lr-EET-3.5
Descriptor: Low-density lipoprotein receptor-related protein 6, SODIUM ION, Trypsin inhibitor 2, ...
Authors:Hansen, S, Hannoush, R.N.
Deposit date:2021-06-21
Release date:2022-06-29
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Directed evolution identifies high-affinity cystine-knot peptide agonists and antagonists of Wnt/ beta-catenin signaling.
Proc.Natl.Acad.Sci.USA, 119, 2022
5K9J
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BU of 5k9j by Molmil
Crystal structure of multidonor HV6-1-class broadly neutralizing Influenza A antibody 56.a.09 isolated following H5 immunization.
Descriptor: 56.a.09 heavy chain, 56.a.09 light chain, POLYETHYLENE GLYCOL (N=34)
Authors:Joyce, M.G, Thomas, P.V, Wheatley, A.K, McDermott, A.B, Mascola, J.R, Kwong, P.D.
Deposit date:2016-05-31
Release date:2016-07-27
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.904 Å)
Cite:Vaccine-Induced Antibodies that Neutralize Group 1 and Group 2 Influenza A Viruses.
Cell, 166, 2016
5GMZ
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BU of 5gmz by Molmil
Hepatitis B virus core protein Y132A mutant in complex with 4-methyl heteroaryldihydropyrimidine
Descriptor: (2S)-4,4-difluoro-1-[[(4S)-4-(4-fluorophenyl)-5-methoxycarbonyl-4-methyl-2-(1,3-thiazol-2-yl)-1H-pyrimidin-6-yl]methyl]pyrrolidine-2-carboxylic acid, CHLORIDE ION, Core protein, ...
Authors:Xu, Z.H, Zhou, Z.
Deposit date:2016-07-18
Release date:2016-08-10
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Design and Synthesis of Orally Bioavailable 4-Methyl Heteroaryldihydropyrimidine Based Hepatitis B Virus (HBV) Capsid Inhibitors
J.Med.Chem., 59, 2016
7Q6C
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BU of 7q6c by Molmil
complement C6 FIM1-2 bound to CP010 antibody
Descriptor: ACETATE ION, CP010 heavy chain, CP010 light chain, ...
Authors:Olesen, H.G, Andersen, G.R.
Deposit date:2021-11-06
Release date:2022-05-25
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.29274 Å)
Cite:Development, Characterization, and in vivo Validation of a Humanized C6 Monoclonal Antibody that Inhibits the Membrane Attack Complex.
J Innate Immun, 2022
5K9K
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BU of 5k9k by Molmil
Crystal structure of multidonor HV6-1-class broadly neutralizing Influenza A antibody 56.a.09 in complex with Hemagglutinin Hong Kong 1968.
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 56.a.09 Heavy chain, ...
Authors:Joyce, M.G, Thomas, P.V, Wheatley, A.K, McDermott, A.B, Mascola, J.R, Kwong, P.D.
Deposit date:2016-05-31
Release date:2016-12-21
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.97 Å)
Cite:Vaccine-Induced Antibodies that Neutralize Group 1 and Group 2 Influenza A Viruses.
Cell, 166, 2016
5KAN
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BU of 5kan by Molmil
Crystal structure of multidonor HV1-18-class broadly neutralizing Influenza A antibody 16.g.07 in complex with A/Hong Kong/1-4-MA21-1/1968 (H3N2) Hemagglutinin
Descriptor: 16.g.07 Heavy chain, 16.g.07 Light chain, 2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Joyce, M.G, Thomas, P.V, Wheatley, A.K, McDermott, A.B, Mascola, J.R, Kwong, P.D.
Deposit date:2016-06-01
Release date:2016-11-30
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.785 Å)
Cite:Vaccine-Induced Antibodies that Neutralize Group 1 and Group 2 Influenza A Viruses.
Cell(Cambridge,Mass.), 166, 2016
5KAQ
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BU of 5kaq by Molmil
Crystal structure of broadly neutralizing Influenza A antibody 31.a.83 in complex with Hemagglutinin Hong Kong 1968.
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, ANTIBODY 31.A.83 FAB HEAVY CHAIN, ANTIBODY 31.A.83 FAB LIGHT CHAIN, ...
Authors:Joyce, M.G, Thomas, P.V, Wheatley, A.K, McDermott, A.B, Mascola, J.R, Kwong, P.D.
Deposit date:2016-06-01
Release date:2017-02-22
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (3.514 Å)
Cite:Vaccine-Induced Antibodies that Neutralize Group 1 and Group 2 Influenza A Viruses.
Cell, 166, 2016
5D0Q
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BU of 5d0q by Molmil
BamACDE complex, outer membrane beta-barrel assembly machinery (BAM) complex
Descriptor: Outer membrane protein assembly factor BamA, Outer membrane protein assembly factor BamC, Outer membrane protein assembly factor BamD, ...
Authors:Gu, Y, Paterson, N, Zeng, Y, Dong, H, Wang, W, Dong, C.
Deposit date:2015-08-03
Release date:2016-03-09
Method:X-RAY DIFFRACTION (3.5 Å)
Cite:Structural basis of outer membrane protein insertion by the BAM complex.
Nature, 531, 2016
8DD5
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BU of 8dd5 by Molmil
Crystal structure of KAT6A in complex with inhibitor CTx-648 (PF-9363)
Descriptor: 2,6-dimethoxy-N-{4-methoxy-6-[(1H-pyrazol-1-yl)methyl]-1,2-benzoxazol-3-yl}benzene-1-sulfonamide, Histone acetyltransferase KAT6A, ZINC ION
Authors:Greasley, S.E, Johnson, E, Brodsky, O.
Deposit date:2022-06-17
Release date:2023-07-05
Method:X-RAY DIFFRACTION (2.58 Å)
Cite:Targeting KAT6A/KAT6B dependencies in breast cancer with a novel selective, orally bioavailable KAT6 inhibitor, CTx-648/PF-9363
To Be Published
7BOK
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BU of 7bok by Molmil
Cryo-EM structure of the encapsulated DyP-type peroxidase from Mycobacterium smegmatis
Descriptor: Dyp-type peroxidase, PROTOPORPHYRIN IX CONTAINING FE
Authors:Tang, Y.T, Mu, A, Gong, H.R, Wang, Q, Rao, Z.H.
Deposit date:2020-03-19
Release date:2021-03-24
Last modified:2024-03-27
Method:ELECTRON MICROSCOPY (3.7 Å)
Cite:Cryo-EM structure of Mycobacterium smegmatis DyP-loaded encapsulin.
Proc.Natl.Acad.Sci.USA, 118, 2021
7BOJ
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BU of 7boj by Molmil
Cryo-EM structure of the encapsulin shell from Mycobacterium smegmatis
Descriptor: 29 kDa antigen Cfp29
Authors:Tang, Y.T, Mu, A, Gong, H.R, Wang, Q, Rao, Z.H.
Deposit date:2020-03-19
Release date:2021-03-24
Last modified:2024-03-27
Method:ELECTRON MICROSCOPY (2.5 Å)
Cite:Cryo-EM structure of Mycobacterium smegmatis DyP-loaded encapsulin.
Proc.Natl.Acad.Sci.USA, 118, 2021
1PPW
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BU of 1ppw by Molmil
ISOPENTENYLPYROPHOSPHATE-DIMETHYLALLYLPYROPHOSPHATE ISOMERASE IN COMPLEX WITH THE BROMOHYDRINE OF IPP
Descriptor: 4-HYDROXY-3-METHYL BUTYL DIPHOSPHATE, Isopentenyl-diphosphate delta-isomerase, MAGNESIUM ION, ...
Authors:Wouters, J, Oldfield, E.
Deposit date:2003-06-17
Release date:2004-06-24
Last modified:2023-08-16
Method:X-RAY DIFFRACTION (2.21 Å)
Cite:A Crystallographic Investigation of Phosphoantigen Binding to Isopentenyl Pyrophosphate/Dimethylallyl Pyrophosphate Isomerase
J.Am.Chem.Soc., 127, 2005
5D0O
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BU of 5d0o by Molmil
BamABCDE complex, outer membrane beta barrel assembly machinery entire complex
Descriptor: Outer membrane protein assembly factor BamA, Outer membrane protein assembly factor BamB, Outer membrane protein assembly factor BamC, ...
Authors:Gu, Y, Paterson, N, Zeng, Y, Dong, H, Wang, W, Dong, C.
Deposit date:2015-08-03
Release date:2016-03-09
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:Structural basis of outer membrane protein insertion by the BAM complex.
Nature, 531, 2016
5K9O
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BU of 5k9o by Molmil
Crystal structure of multidonor HV1-18+HD3-9 class broadly neutralizing Influenza A antibody 31.b.09 in complex with Hemagglutinin H1 A/California/04/2009
Descriptor: 31.b.09 Heavy Fv, 31.b.09 Light Fv, Hemagglutinin, ...
Authors:Joyce, M.G, Thomas, P.V, Wheatley, A.K, McDermott, A.B, Mascola, J.R, Kwong, P.D.
Deposit date:2016-06-01
Release date:2016-12-28
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (3.387 Å)
Cite:Vaccine-Induced Antibodies that Neutralize Group 1 and Group 2 Influenza A Viruses.
Cell, 166, 2016
8W6A
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BU of 8w6a by Molmil
Crystal structure of TAX1BP1 LIR region in complex with GABARAP
Descriptor: Gamma-aminobutyric acid receptor-associated protein, Tax1-binding protein 1
Authors:Zhang, M.F, Pan, L.F.
Deposit date:2023-08-28
Release date:2024-07-10
Method:X-RAY DIFFRACTION (1.53 Å)
Cite:Mechanistic insights into the interactions of TAX1BP1 with RB1CC1 and mammalian ATG8 family proteins.
Proc.Natl.Acad.Sci.USA, 121, 2024
8W6B
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BU of 8w6b by Molmil
crystal structure of TAX1BP1 SKICH domain in complex with RB1CC1 coiled-coil domain
Descriptor: RB1-inducible coiled-coil protein 1, Tax1-binding protein 1
Authors:Zhang, M.F, Pan, L.F.
Deposit date:2023-08-28
Release date:2024-07-10
Method:X-RAY DIFFRACTION (2.39 Å)
Cite:Mechanistic insights into the interactions of TAX1BP1 with RB1CC1 and mammalian ATG8 family proteins.
Proc.Natl.Acad.Sci.USA, 121, 2024
5K9Q
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BU of 5k9q by Molmil
Crystal structure of multidonor HV1-18-class broadly neutralizing Influenza A antibody 16.a.26 in complex with A/Hong Kong/1-4-MA21-1/1968 (H3N2) Hemagglutinin
Descriptor: 16.a.26 Heavy chain, 16.a.26 Light chain, 2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Joyce, M.G, Thomas, P.V, Wheatley, A.K, McDermott, A.B, Mascola, J.R, Kwong, P.D.
Deposit date:2016-06-01
Release date:2016-11-30
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (2.503 Å)
Cite:Vaccine-Induced Antibodies that Neutralize Group 1 and Group 2 Influenza A Viruses.
Cell(Cambridge,Mass.), 166, 2016
5TJX
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BU of 5tjx by Molmil
Structure of human plasma kallikrein
Descriptor: (8E)-3-amino-1-methyl-15-[(1H-pyrazol-1-yl)methyl]-7,10,11,12,24,25-hexahydro-6H,18H,23H-19,22-(metheno)pyrido[4,3-j][1,9,13,17,18]benzodioxatriazacyclohenicosin-23-one, PHOSPHATE ION, Plasma kallikrein
Authors:Partridge, J.R, Choy, R.M, Li, Z.
Deposit date:2016-10-05
Release date:2016-12-21
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.408 Å)
Cite:Structure-Guided Design of Novel, Potent, and Selective Macrocyclic Plasma Kallikrein Inhibitors.
ACS Med Chem Lett, 8, 2017
1PPV
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BU of 1ppv by Molmil
ISOPENTENYLPYROPHOSPHATE-DIMETHYLALLYLPYROPHOSPHATE ISOMERASE IN COMPLEX WITH THE BROMOHYDRINE OF IPP
Descriptor: 4-BROMO-3-HYDROXY-3-METHYL BUTYL DIPHOSPHATE, Isopentenyl-diphosphate delta-isomerase, MAGNESIUM ION, ...
Authors:Wouters, J, Oldfield, E.
Deposit date:2003-06-17
Release date:2004-06-29
Last modified:2023-08-16
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:A Crystallographic Investigation of Phosphoantigen Binding to Isopentenyl Pyrophosphate/Dimethylallyl Pyrophosphate Isomerase
J.Am.Chem.Soc., 127, 2005
5E9A
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BU of 5e9a by Molmil
Crystal structure analysis of the cold-adamped beta-galactosidase from Rahnella sp. R3
Descriptor: ACETATE ION, Beta-galactosidase, ZINC ION
Authors:Zhang, Y.Z, Fan, Y.T.
Deposit date:2015-10-14
Release date:2016-10-26
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (2.561 Å)
Cite:Cloning, expression and structural stability of a cold-adapted beta-galactosidase from Rahnella sp. R3.
Protein Expr.Purif., 115, 2015

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