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3AQT
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BU of 3aqt by Molmil
CRYSTAL STRUCTURE OF RolR (NCGL1110) complex WITH ligand RESORCINOL
Descriptor: Bacterial regulatory proteins, tetR family, RESORCINOL
Authors:Li, D.F, Zhang, N, Hou, Y.J, Liu, S.J, Wang, D.C.
Deposit date:2010-11-18
Release date:2011-07-06
Last modified:2017-10-11
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Crystal structures of the transcriptional repressor RolR reveals a novel recognition mechanism between inducer and regulator.
Plos One, 6, 2011
7NRJ
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BU of 7nrj by Molmil
Crystal Structure of a Class D carbapenemase complexed with iodide
Descriptor: 1-BUTANOL, Beta-lactamase, GLYCEROL, ...
Authors:Zhou, Q, He, Y, Jin, Y.
Deposit date:2021-03-04
Release date:2022-03-23
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (1.67 Å)
Cite:An Ion-Pair Induced Intermediate Complex Captured in Class D Carbapenemase Reveals Chloride Ion as a Janus Effector Modulating Activity
Acs Cent.Sci., 2023
3AQS
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BU of 3aqs by Molmil
Crystal structure of RolR (NCGL1110) without ligand
Descriptor: Bacterial regulatory proteins, tetR family
Authors:Li, D.F, Zhang, N, Hou, Y.J, Liu, S.J, Wang, D.C.
Deposit date:2010-11-18
Release date:2011-07-06
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (3.6 Å)
Cite:Crystal structures of the transcriptional repressor RolR reveals a novel recognition mechanism between inducer and regulator.
Plos One, 6, 2011
7O5T
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BU of 7o5t by Molmil
Crystal Structure of a Class D Carbapenemase Complexed with Bromide
Descriptor: BROMIDE ION, Beta-lactamase
Authors:Zhou, Q, He, Y, Jin, Y.
Deposit date:2021-04-09
Release date:2022-04-20
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (1.81 Å)
Cite:An Ion-Pair Induced Intermediate Complex Captured in Class D Carbapenemase Reveals Chloride Ion as a Janus Effector Modulating Activity
Acs Cent.Sci., 2023
7O9N
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BU of 7o9n by Molmil
Crystal Structure of a Class D Carbapenemase Complexed with Bicarbonate
Descriptor: BICARBONATE ION, Beta-lactamase
Authors:Zhou, Q, He, Y, Jin, Y.
Deposit date:2021-04-16
Release date:2022-05-04
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (1.97 Å)
Cite:An Ion-Pair Induced Intermediate Complex Captured in Class D Carbapenemase Reveals Chloride Ion as a Janus Effector Modulating Activity
Acs Cent.Sci., 2023
6A0Z
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BU of 6a0z by Molmil
Crystal structure of broadly neutralizing antibody 13D4 bound to H5N1 influenza hemagglutinin, HA head region
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Antibody 13D4, Fab Heavy Chain, ...
Authors:Li, S, Li, T.
Deposit date:2018-06-06
Release date:2018-06-20
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.329 Å)
Cite:Structural Basis for the Broad, Antibody-Mediated Neutralization of H5N1 Influenza Virus.
J. Virol., 92, 2018
4H8E
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BU of 4h8e by Molmil
Structure of S. aureus undecaprenyl diphosphate synthase in complex with FPP and sulfate
Descriptor: FARNESYL DIPHOSPHATE, MAGNESIUM ION, SULFATE ION, ...
Authors:Zhu, W, Oldfield, E.
Deposit date:2012-09-22
Release date:2012-12-19
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.3 Å)
Cite:Antibacterial drug leads targeting isoprenoid biosynthesis.
Proc.Natl.Acad.Sci.USA, 110, 2013
7LRT
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BU of 7lrt by Molmil
Cryo-EM structure of SARS-CoV-2 spike in complex with neutralizing antibody A23-58.1 that targets the receptor-binding domain
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, SARS-CoV-2 spike glycoprotein, ...
Authors:Zhou, T, Tsybovsky, T.
Deposit date:2021-02-17
Release date:2021-07-14
Last modified:2021-08-25
Method:ELECTRON MICROSCOPY (3.54 Å)
Cite:Ultrapotent antibodies against diverse and highly transmissible SARS-CoV-2 variants.
Science, 373, 2021
4H2M
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BU of 4h2m by Molmil
Structure of E. coli undecaprenyl diphosphate synthase in complex with BPH-1408
Descriptor: 2,2'-{benzene-1,3-diylbis[ethyne-2,1-diyl(5-bromobenzene-3,1-diyl)]}diethanamine, Undecaprenyl pyrophosphate synthase
Authors:Zhu, W, Oldfield, E.
Deposit date:2012-09-12
Release date:2012-12-19
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.78 Å)
Cite:Antibacterial drug leads targeting isoprenoid biosynthesis.
Proc.Natl.Acad.Sci.USA, 110, 2013
4H38
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BU of 4h38 by Molmil
Structure of E. coli undecaprenyl diphosphate synthase in complex with BPH-1297
Descriptor: (5-bromo-2-{[3-(octyloxy)benzyl]oxy}phenyl)phosphonic acid, Undecaprenyl pyrophosphate synthase
Authors:Zhu, W, Oldfield, E.
Deposit date:2012-09-13
Release date:2012-12-19
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Antibacterial drug leads targeting isoprenoid biosynthesis.
Proc.Natl.Acad.Sci.USA, 110, 2013
4H3C
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BU of 4h3c by Molmil
Structure of E. coli undecaprenyl diphosphate synthase in complex with BPH-987
Descriptor: (2Z)-4-[3-(decyloxy)phenyl]-2-hydroxy-4-oxobut-2-enoic acid, Undecaprenyl pyrophosphate synthase
Authors:Zhu, W, Oldfield, E.
Deposit date:2012-09-13
Release date:2012-12-19
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.93 Å)
Cite:Antibacterial drug leads targeting isoprenoid biosynthesis.
Proc.Natl.Acad.Sci.USA, 110, 2013
6A0X
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BU of 6a0x by Molmil
Crystal structure of broadly neutralizing antibody 13D4
Descriptor: Antibody 13D4, Fab Heavy Chain, Fab Light Chain
Authors:Li, S, Li, T.
Deposit date:2018-06-06
Release date:2018-06-20
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Structural Basis for the Broad, Antibody-Mediated Neutralization of H5N1 Influenza Virus.
J. Virol., 92, 2018
5C0S
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BU of 5c0s by Molmil
Crystal structure of a generation 4 influenza hemagglutinin stabilized stem in complex with the broadly neutralizing antibody CR6261
Descriptor: CR6261 antibody heavy chain, CR6261 antibody light chain, Hemagglutinin, ...
Authors:Boyington, J.C, Kwong, P.D, Nabel, G.J, Mascola, J.R.
Deposit date:2015-06-12
Release date:2015-09-02
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (4.3 Å)
Cite:Hemagglutinin-stem nanoparticles generate heterosubtypic influenza protection.
Nat. Med., 21, 2015
4HRO
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BU of 4hro by Molmil
Crystal structure of H. volcanii small archaeal modifier protein 1
Descriptor: CALCIUM ION, Small archaeal modifier protein 1
Authors:Hao, B.
Deposit date:2012-10-28
Release date:2013-10-30
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.15 Å)
Cite:Crystal structure of H. volcanii small archaeal modifier protein 1
To be Published
6A92
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BU of 6a92 by Molmil
Crystal structure of a cyclase Filc1 from Fischerella sp.
Descriptor: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, CALCIUM ION, TETRAETHYLENE GLYCOL, ...
Authors:Hu, X.Y, Liu, W.D, Chen, C.C, Guo, R.T.
Deposit date:2018-07-11
Release date:2018-12-19
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.58 Å)
Cite:The Crystal Structure of a Class of Cyclases that Catalyze the Cope Rearrangement
Angew. Chem. Int. Ed. Engl., 57, 2018
6AGL
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BU of 6agl by Molmil
Molecular basis for feedback inhibition of tyrosine-regulated 3-deoxy-d-arabino-heptulosonate-7-phosphate synthase from Escherichia coli
Descriptor: Phospho-2-dehydro-3-deoxyheptonate aldolase, Tyr-sensitive
Authors:Cui, D, Qi, J, Wen, T.
Deposit date:2018-08-13
Release date:2019-04-17
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Molecular basis for feedback inhibition of tyrosine-regulated 3-deoxy-d-arabino-heptulosonate-7-phosphate synthase from Escherichia coli.
J.Struct.Biol., 206, 2019
6A9F
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BU of 6a9f by Molmil
Crystal structure of a cyclase from Fischerella sp. TAU in complex with 4-(1H-Indol-3-yl)butan-2-one
Descriptor: 4-(1~{H}-indol-3-yl)butan-2-one, CALCIUM ION, GLYCEROL, ...
Authors:Hu, X.Y, Liu, W.D, Chen, C.C, Guo, R.T.
Deposit date:2018-07-13
Release date:2018-12-19
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:The Crystal Structure of a Class of Cyclases that Catalyze the Cope Rearrangement
Angew. Chem. Int. Ed. Engl., 57, 2018
6A99
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BU of 6a99 by Molmil
Crystal structure of a Stig cyclases Fisc from Fischerella sp. TAU in complex with (3Z)-3-(1-methyl-2-pyrrolidinylidene)-3H-indole
Descriptor: (3~{Z})-3-(1-methylpyrrolidin-2-ylidene)indole, CALCIUM ION, MAGNESIUM ION, ...
Authors:Hu, X.Y, Liu, W.D, Chen, C.C, Guo, R.T.
Deposit date:2018-07-12
Release date:2018-12-19
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.29 Å)
Cite:The Crystal Structure of a Class of Cyclases that Catalyze the Cope Rearrangement
Angew. Chem. Int. Ed. Engl., 57, 2018
6ADU
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BU of 6adu by Molmil
Crystal structure of an enzyme in complex with ligand C
Descriptor: (3~{Z})-3-(1-methylpyrrolidin-2-ylidene)indole, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, CALCIUM ION, ...
Authors:Tan, X.K, Liu, W.D, Chen, C.C, Guo, R.T.
Deposit date:2018-08-02
Release date:2019-08-21
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.96 Å)
Cite:The Crystal Structure of a Class of Cyclases that Catalyze the Cope Rearrangement.
Angew.Chem.Int.Ed.Engl., 57, 2018
6AGM
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BU of 6agm by Molmil
Molecular basis for feedback inhibition of tyrosine-regulated 3-deoxy-d-arabino-heptulosonate-7-phosphate synthase from Escherichia coli
Descriptor: Phospho-2-dehydro-3-deoxyheptonate aldolase, Tyr-sensitive, TYROSINE
Authors:Cui, D, Qi, J, Wen, T.
Deposit date:2018-08-13
Release date:2019-04-17
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2 Å)
Cite:Molecular basis for feedback inhibition of tyrosine-regulated 3-deoxy-d-arabino-heptulosonate-7-phosphate synthase from Escherichia coli.
J.Struct.Biol., 206, 2019
6AGG
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BU of 6agg by Molmil
Crystal structure of agmatine-AMPPCP-Mg complexed TiaS (tRNAIle2 agmatidine synthetase)
Descriptor: ACETATE ION, AGMATINE, AMMONIUM ION, ...
Authors:Dong, J.S, Gong, W.M.
Deposit date:2018-08-11
Release date:2018-09-05
Last modified:2018-10-24
Method:X-RAY DIFFRACTION (2.706 Å)
Cite:Structure of tRNA-Modifying Enzyme TiaS and Motions of Its Substrate Binding Zinc Ribbon.
J. Mol. Biol., 430, 2018
8JYE
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BU of 8jye by Molmil
Crystal Structure of Intracellular B30.2 Domain of BTN3A1 and BTN2A1 in Complex with HMBPP
Descriptor: (2E)-4-hydroxy-3-methylbut-2-en-1-yl trihydrogen diphosphate, 1,2-ETHANEDIOL, Butyrophilin subfamily 2 member A1, ...
Authors:Yuan, L.J, Yang, Y.Y, Li, X, Cai, N.N, Chen, C.-C, Guo, R.-T, Zhang, Y.H.
Deposit date:2023-07-03
Release date:2023-09-13
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.18 Å)
Cite:Phosphoantigens glue butyrophilin 3A1 and 2A1 to activate V gamma 9V delta 2 T cells.
Nature, 621, 2023
8JYC
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BU of 8jyc by Molmil
Crystal Structure of Intracellular B30.2 Domain of BTN3A1 and BTN2A1 in Complex with DMAPP
Descriptor: 1,2-ETHANEDIOL, Butyrophilin subfamily 2 member A1, Butyrophilin subfamily 3 member A1, ...
Authors:Yuan, L.J, Yang, Y.Y, Li, X, Cai, N.N, Chen, C.-C, Guo, R.-T, Zhang, Y.H.
Deposit date:2023-07-03
Release date:2023-09-13
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.29 Å)
Cite:Phosphoantigens glue butyrophilin 3A1 and 2A1 to activate V gamma 9V delta 2 T cells.
Nature, 621, 2023
6B7Q
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BU of 6b7q by Molmil
Crystal structure of Legionella effector protein sdeA (lpg2157) aa. 211-910
Descriptor: MERCURY (II) ION, SdeA
Authors:Mao, Y, Akturk, A, Wasilko, J.
Deposit date:2017-10-04
Release date:2018-04-18
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Mechanism of phosphoribosyl-ubiquitination mediated by a single Legionella effector.
Nature, 557, 2018
6B7M
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BU of 6b7m by Molmil
Crystal structure of Legionella effector sdeD (lpg2509) in complex with Ubiquitin
Descriptor: Polyubiquitin-C, SdeD (lpg2509)
Authors:Mao, Y, Akturk, A, Wasilko, J.
Deposit date:2017-10-04
Release date:2018-04-18
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Mechanism of phosphoribosyl-ubiquitination mediated by a single Legionella effector.
Nature, 557, 2018

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