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7OKC
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BU of 7okc by Molmil
Crystal structure of Escherichia coli LpxA in complex with compound 1
Descriptor: 2-[2-(2-chlorophenyl)sulfanylethanoyl-[[4-(1,2,4-triazol-1-yl)phenyl]methyl]amino]-N-methyl-ethanamide, Acyl-[acyl-carrier-protein]--UDP-N-acetylglucosamine O-acyltransferase, SODIUM ION
Authors:Ryan, M.D, Parkes, A.L, Southey, M, Andersen, O.A, Zahn, M, Barker, J, DeJonge, B.L.M.
Deposit date:2021-05-17
Release date:2021-10-06
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.84 Å)
Cite:Discovery of Novel UDP- N -Acetylglucosamine Acyltransferase (LpxA) Inhibitors with Activity against Pseudomonas aeruginosa .
J.Med.Chem., 64, 2021
7OKA
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BU of 7oka by Molmil
Crystal structure of Pseudomonas aeruginosa LpxA in complex with compound 14
Descriptor: 2-(2-chlorophenyl)sulfanyl-~{N}-[(4-cyanophenyl)methyl]-~{N}-(1~{H}-imidazol-4-ylmethyl)ethanamide, Acyl-[acyl-carrier-protein]-UDP-N-acetylglucosamine O-acyltransferase, CHLORIDE ION, ...
Authors:Ryan, M.D, Parkes, A.L, Southey, M, Andersen, O.A, Zahn, M, Barker, J, DeJonge, B.L.M.
Deposit date:2021-05-17
Release date:2021-10-13
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.74 Å)
Cite:Discovery of Novel UDP- N -Acetylglucosamine Acyltransferase (LpxA) Inhibitors with Activity against Pseudomonas aeruginosa .
J.Med.Chem., 64, 2021
6KIH
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BU of 6kih by Molmil
Sucrose-phosphate synthase (tll1590) from Thermosynechococcus elongatus
Descriptor: 6-O-phosphono-beta-D-fructofuranose-(2-1)-alpha-D-glucopyranose, Tll1590 protein, URIDINE-5'-DIPHOSPHATE
Authors:Su, J.
Deposit date:2019-07-18
Release date:2020-05-27
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (3 Å)
Cite:Co-crystal Structure ofThermosynechococcus elongatusSucrose Phosphate Synthase With UDP and Sucrose-6-Phosphate Provides Insight Into Its Mechanism of Action Involving an Oxocarbenium Ion and the Glycosidic Bond.
Front Microbiol, 11, 2020
6KKS
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BU of 6kks by Molmil
Structural insights into target DNA recognition by R2R3-type MYB transcription factor
Descriptor: DNA (5'-D(*AP*AP*AP*TP*TP*CP*TP*CP*CP*AP*AP*CP*CP*GP*CP*AP*TP*TP*TP*TP*C)-3'), DNA (5'-D(*CP*GP*AP*AP*AP*AP*TP*GP*CP*GP*GP*TP*TP*GP*GP*AP*GP*AP*AP*TP*T)-3'), MAGNESIUM ION, ...
Authors:Wang, B, Luo, Q.
Deposit date:2019-07-27
Release date:2019-11-13
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.15 Å)
Cite:Structural insights into target DNA recognition by R2R3-MYB transcription factors.
Nucleic Acids Res., 48, 2020
6KO0
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BU of 6ko0 by Molmil
The crystal structue of PDE10A complexed with 1i
Descriptor: 3-[2-(5-methyl-1-phenyl-benzimidazol-2-yl)ethyl]chromen-4-one, MAGNESIUM ION, ZINC ION, ...
Authors:Huang, Y.-Y, Yu, Y.F, Zhang, C, Guo, L, Wu, D, Luo, H.-B.
Deposit date:2019-08-07
Release date:2020-04-01
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.600029 Å)
Cite:Discovery and Optimization of Chromone Derivatives as Novel Selective Phosphodiesterase 10 Inhibitors.
Acs Chem Neurosci, 11, 2020
6KO1
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BU of 6ko1 by Molmil
The crystal structue of PDE10A complexed with 2d
Descriptor: 6-chloranyl-3-[2-(5-methyl-1-phenyl-benzimidazol-2-yl)ethyl]chromen-4-one, MAGNESIUM ION, ZINC ION, ...
Authors:Huang, Y.-Y, Yu, Y.F, Zhang, C, Guo, L, Wu, D, Luo, H.-B.
Deposit date:2019-08-07
Release date:2020-04-01
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Discovery and Optimization of Chromone Derivatives as Novel Selective Phosphodiesterase 10 Inhibitors.
Acs Chem Neurosci, 11, 2020
7P4L
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BU of 7p4l by Molmil
Crystal structure of the trimeric ectodomain of archaeal Fusexin1 (Fsx1)
Descriptor: CALCIUM ION, CHLORIDE ION, Fusexin1, ...
Authors:Nishio, S, Tunyasuvunakool, K, Jumper, J, De Sanctis, D, Jovine, L.
Deposit date:2021-07-12
Release date:2022-07-13
Last modified:2024-05-01
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Discovery of archaeal fusexins homologous to eukaryotic HAP2/GCS1 gamete fusion proteins.
Nat Commun, 13, 2022
6LDQ
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BU of 6ldq by Molmil
Sucrose-phosphate synthase (tll1590)_27_220_406_426_from Thermosynechococcus elongatus (twinned)
Descriptor: THIOCYANATE ION, Tll1590 protein
Authors:Su, J.
Deposit date:2019-11-22
Release date:2020-05-27
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.92 Å)
Cite:Co-crystal Structure ofThermosynechococcus elongatusSucrose Phosphate Synthase With UDP and Sucrose-6-Phosphate Provides Insight Into Its Mechanism of Action Involving an Oxocarbenium Ion and the Glycosidic Bond.
Front Microbiol, 11, 2020
4O7O
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BU of 4o7o by Molmil
Crystal structure of Mycobacterium tuberculosis maltose kinase MaK
Descriptor: Maltokinase, SULFATE ION
Authors:Li, J, Guan, X.T, Rao, Z.H.
Deposit date:2013-12-26
Release date:2014-10-22
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.4006 Å)
Cite:Homotypic dimerization of a maltose kinase for molecular scaffolding.
Sci Rep, 4, 2014
4O33
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BU of 4o33 by Molmil
Crystal Structure of human PGK1 3PG and terazosin(TZN) ternary complex
Descriptor: 3-PHOSPHOGLYCERIC ACID, Phosphoglycerate kinase 1, [4-(4-amino-6,7-dimethoxyquinazolin-2-yl)piperazin-1-yl][(2R)-tetrahydrofuran-2-yl]methanone
Authors:Li, X.L, Finci, L.I, Wang, J.H.
Deposit date:2013-12-18
Release date:2014-10-29
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Terazosin activates Pgk1 and Hsp90 to promote stress resistance.
Nat.Chem.Biol., 11, 2015
7M7E
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BU of 7m7e by Molmil
6-Deoxyerythronolide B synthase (DEBS) hybrid module (M3/1) in complex with antibody fragment 1B2
Descriptor: 1B2 (heavy chain), 1B2 (light chain), 6-deoxyerythronolide-B synthase EryA2, ...
Authors:Cogan, D.P, Zhang, K, Chiu, W, Khosla, C.
Deposit date:2021-03-28
Release date:2021-11-17
Method:ELECTRON MICROSCOPY (3.2 Å)
Cite:Mapping the catalytic conformations of an assembly-line polyketide synthase module.
Science, 374, 2021
7M7G
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BU of 7m7g by Molmil
6-Deoxyerythronolide B synthase (DEBS) module 1 in complex with antibody fragment 1B2: State 2
Descriptor: 1B2 (heavy chain), 1B2 (light chain), EryAI,6-deoxyerythronolide-B synthase EryA3, ...
Authors:Cogan, D.P, Zhang, K, Chiu, W, Khosla, C.
Deposit date:2021-03-28
Release date:2021-11-17
Method:ELECTRON MICROSCOPY (4.1 Å)
Cite:Mapping the catalytic conformations of an assembly-line polyketide synthase module.
Science, 374, 2021
7M7H
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BU of 7m7h by Molmil
6-Deoxyerythronolide B synthase (DEBS) module 1 in complex with antibody fragment 1B2: State 1'
Descriptor: 1B2 (heavy chain), 1B2 (light chain), EryAI,6-deoxyerythronolide-B synthase EryA3, ...
Authors:Cogan, D.P, Zhang, K, Chiu, W, Khosla, C.
Deposit date:2021-03-28
Release date:2021-11-17
Method:ELECTRON MICROSCOPY (4.1 Å)
Cite:Mapping the catalytic conformations of an assembly-line polyketide synthase module.
Science, 374, 2021
7M7I
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BU of 7m7i by Molmil
6-Deoxyerythronolide B synthase (DEBS) module 1 in complex with antibody fragment 1B2 (TE-free)
Descriptor: 1B2 (heavy chain), 1B2 (light chain), EryAI, ...
Authors:Cogan, D.P, Zhang, K, Chiu, W, Khosla, C.
Deposit date:2021-03-28
Release date:2021-11-17
Last modified:2024-03-13
Method:ELECTRON MICROSCOPY (3.4 Å)
Cite:Mapping the catalytic conformations of an assembly-line polyketide synthase module.
Science, 374, 2021
7M7J
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BU of 7m7j by Molmil
6-Deoxyerythronolide B synthase (DEBS) module 1 in complex with antibody fragment 1B2: "turnstile closed" state (TE-free)
Descriptor: 1B2 (heavy chain), 1B2 (light chain), EryAI
Authors:Cogan, D.P, Zhang, K, Chiu, W, Khosla, C.
Deposit date:2021-03-28
Release date:2021-11-17
Method:ELECTRON MICROSCOPY (4.3 Å)
Cite:Mapping the catalytic conformations of an assembly-line polyketide synthase module.
Science, 374, 2021
7M7F
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BU of 7m7f by Molmil
6-Deoxyerythronolide B synthase (DEBS) module 1 in complex with antibody fragment 1B2: State 1
Descriptor: 1B2 (heavy chain), 1B2 (light chain), EryAI,6-deoxyerythronolide-B synthase EryA3, ...
Authors:Cogan, D.P, Zhang, K, Chiu, W, Khosla, C.
Deposit date:2021-03-28
Release date:2021-11-17
Method:ELECTRON MICROSCOPY (3.2 Å)
Cite:Mapping the catalytic conformations of an assembly-line polyketide synthase module.
Science, 374, 2021
7MXD
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BU of 7mxd by Molmil
Cryo-EM structure of broadly neutralizing V2-apex-targeting antibody J038 in complex with HIV-1 Env
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 3BNC117 antibody heavy chain, ...
Authors:Zhou, T, Gao, F.
Deposit date:2021-05-19
Release date:2022-03-30
Last modified:2022-06-22
Method:ELECTRON MICROSCOPY (3.4 Å)
Cite:Development of Neutralization Breadth against Diverse HIV-1 by Increasing Ab-Ag Interface on V2.
Adv Sci, 9, 2022
7N28
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BU of 7n28 by Molmil
Cryo-EM structure of broadly neutralizing V2-apex-targeting antibody J033 in complex with HIV-1 Env
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 3BNC117 antibody heavy chain, ...
Authors:Zhou, T, Gao, F.
Deposit date:2021-05-28
Release date:2022-04-06
Last modified:2022-06-22
Method:ELECTRON MICROSCOPY (4.2 Å)
Cite:Development of Neutralization Breadth against Diverse HIV-1 by Increasing Ab-Ag Interface on V2.
Adv Sci, 9, 2022
7BOZ
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BU of 7boz by Molmil
N-teminal of mature bacteriophage T7 tail fiber protein gp17
Descriptor: N-teminal of mature bacteriophage T7 tail fiber protein gp17
Authors:Chen, W.Y, Xiao, H.
Deposit date:2020-03-20
Release date:2021-03-17
Last modified:2024-03-27
Method:ELECTRON MICROSCOPY (3.8 Å)
Cite:Structural changes of a bacteriophage upon DNA packaging and maturation.
Protein Cell, 11, 2020
7BOY
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BU of 7boy by Molmil
Mature bacteriorphage t7 tail nozzle protein gp12
Descriptor: Tail tubular protein gp12
Authors:Chen, W.Y, Xiao, H.
Deposit date:2020-03-20
Release date:2021-03-17
Last modified:2024-03-27
Method:ELECTRON MICROSCOPY (3.8 Å)
Cite:Structural changes of a bacteriophage upon DNA packaging and maturation.
Protein Cell, 11, 2020
7BP0
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BU of 7bp0 by Molmil
Packing Bacteriophage T7 portal protein GP8
Descriptor: Portal protein
Authors:Chen, W.Y, Xiao, H.
Deposit date:2020-03-20
Release date:2021-03-17
Last modified:2024-03-27
Method:ELECTRON MICROSCOPY (4.6 Å)
Cite:Structural changes of a bacteriophage upon DNA packaging and maturation.
Protein Cell, 11, 2020
7BOX
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BU of 7box by Molmil
Mature bacteriorphage t7 tail adaptor protein gp11
Descriptor: Tail adaptor protein gp11
Authors:Chen, W.Y, Xiao, H.
Deposit date:2020-03-20
Release date:2021-03-17
Last modified:2024-03-27
Method:ELECTRON MICROSCOPY (3.8 Å)
Cite:Structural changes of a bacteriophage upon DNA packaging and maturation.
Protein Cell, 11, 2020
7BOU
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BU of 7bou by Molmil
GP8 of Mature Bacteriophage T7
Descriptor: Portal protein
Authors:Chen, W.Y, Xiao, H.
Deposit date:2020-03-19
Release date:2021-03-17
Last modified:2024-03-27
Method:ELECTRON MICROSCOPY (3.6 Å)
Cite:Structural changes of a bacteriophage upon DNA packaging and maturation.
Protein Cell, 11, 2020
7XR5
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BU of 7xr5 by Molmil
Crystal structure of imine reductase with NAPDH from Streptomyces albidoflavus
Descriptor: 3,6,9,12,15,18,21,24,27,30,33,36,39,42,45,48,51,54,57-nonadecaoxanonapentacontane-1,59-diol, 6-phosphogluconate dehydrogenase NAD-binding, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE
Authors:Zhang, J, Chen, R.C, Gao, S.S.
Deposit date:2022-05-09
Release date:2022-10-19
Last modified:2024-05-01
Method:X-RAY DIFFRACTION (1.58 Å)
Cite:Actinomycetes-derived imine reductases with a preference towards bulky amine substrates.
Commun Chem, 5, 2022
6L7A
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BU of 6l7a by Molmil
CsgFG complex in Curli biogenesis system
Descriptor: CsgF, Curli production assembly/transport protein CsgG
Authors:Yan, Z.F, Yin, M, Chen, J.N, Li, X.M.
Deposit date:2019-11-01
Release date:2020-01-15
Last modified:2024-03-27
Method:ELECTRON MICROSCOPY (3.38 Å)
Cite:Assembly and substrate recognition of curli biogenesis system.
Nat Commun, 11, 2020

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