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8G8V
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BU of 8g8v by Molmil
GTP Cyclohydrolase-IB with sodium
分子名称: 1,2-ETHANEDIOL, GTP cyclohydrolase FolE2, SODIUM ION, ...
著者McWhorter, K.L, Jhunjhunwala, R, Davis, K.M.
登録日2023-02-20
公開日2024-02-21
実験手法X-RAY DIFFRACTION (2.03 Å)
主引用文献Combatting melioidosis with chemical synthetic lethality
To Be Published
7FEW
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BU of 7few by Molmil
Pseudomonas aeruginosa Virulence Factor Regulator with cAMP ligand and auranofin gold analogues
分子名称: ADENOSINE-3',5'-CYCLIC-MONOPHOSPHATE, SULFATE ION, cAMP-activated global transcriptional regulator Vfr
著者Chew, B.L.A, Luo, D.
登録日2021-07-22
公開日2022-07-27
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (1.75 Å)
主引用文献Structural basis for the inhibitory mechanism of auranofin and gold(I) analogues against Pseudomonas aeruginosa global virulence factor regulator Vfr.
Comput Struct Biotechnol J, 21, 2023
7FF0
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BU of 7ff0 by Molmil
Pseudomonas aeruginosa Virulence Factor Regulator with cAMP ligand and auranofin
分子名称: ADENOSINE-3',5'-CYCLIC-MONOPHOSPHATE, GOLD ION, SULFATE ION, ...
著者Chew, B.L.A, Luo, D.
登録日2021-07-22
公開日2022-07-27
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Structural basis for the inhibitory mechanism of auranofin and gold(I) analogues against Pseudomonas aeruginosa global virulence factor regulator Vfr.
Comput Struct Biotechnol J, 21, 2023
7WF6
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BU of 7wf6 by Molmil
Crystal structure of SNX13 RGS domain
分子名称: CHLORIDE ION, Sorting nexin-13
著者Xu, J, Zhu, J, Liu, J.
登録日2021-12-26
公開日2022-10-26
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (3.25 Å)
主引用文献Structural Studies Reveal Unique Non-canonical Regulators of G Protein Signaling Homology (RH) Domains in Sorting Nexins.
J.Mol.Biol., 434, 2022
7E16
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BU of 7e16 by Molmil
crystal structure of GDSL esterase from Geobacillus thermodenitrificans
分子名称: GDSL-family esterase
著者Chen, L.
登録日2021-01-31
公開日2021-04-14
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.62 Å)
主引用文献Rational engineering of substrate selectivity of GDSL esterase from Geobacillus thermodenitrificans
To Be Published
5D0Q
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BU of 5d0q by Molmil
BamACDE complex, outer membrane beta-barrel assembly machinery (BAM) complex
分子名称: Outer membrane protein assembly factor BamA, Outer membrane protein assembly factor BamC, Outer membrane protein assembly factor BamD, ...
著者Gu, Y, Paterson, N, Zeng, Y, Dong, H, Wang, W, Dong, C.
登録日2015-08-03
公開日2016-03-09
実験手法X-RAY DIFFRACTION (3.5 Å)
主引用文献Structural basis of outer membrane protein insertion by the BAM complex.
Nature, 531, 2016
5D6Q
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BU of 5d6q by Molmil
Crystal structure of the ATP binding domain of S. aureus GyrB complexed with a ligand
分子名称: (4S)-2-METHYL-2,4-PENTANEDIOL, 1-ethyl-3-{4-[(E)-2-(pyridin-3-yl)ethenyl]-5-(1H-pyrrol-2-yl)-1,3-thiazol-2-yl}urea, DNA gyrase subunit B, ...
著者Zhang, J, Yang, Q, Cross, J.B, Romero, J.A.C, Ryan, M.D, Lippa, B, Dolle, R.E, Andersen, O.A, Barker, J, Cheng, R.K, Kahmann, J, Felicetti, B, Wood, M, Scheich, C.
登録日2015-08-12
公開日2015-11-25
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Discovery of Azaindole Ureas as a Novel Class of Bacterial Gyrase B Inhibitors.
J.Med.Chem., 58, 2015
5D7C
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BU of 5d7c by Molmil
Crystal structure of the ATP binding domain of S. aureus GyrB complexed with a ligand
分子名称: (4S)-2-METHYL-2,4-PENTANEDIOL, 1-ethyl-3-[1-(pyridin-2-yl)-6-(pyridin-3-yl)-1H-pyrrolo[3,2-b]pyridin-3-yl]urea, DNA gyrase subunit B, ...
著者Zhang, J, Yang, Q, Cross, J.B, Romero, J.A.C, Ryan, M.D, Lippa, B, Dolle, R.E, Andersen, O.A, Barker, J, Cheng, R.K, Kahmann, J, Felicetti, B, Wood, M, Scheich, C.
登録日2015-08-13
公開日2015-11-25
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (1.55 Å)
主引用文献Discovery of Azaindole Ureas as a Novel Class of Bacterial Gyrase B Inhibitors.
J.Med.Chem., 58, 2015
2I19
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BU of 2i19 by Molmil
T. Brucei farnesyl diphosphate synthase complexed with bisphosphonate
分子名称: Farnesyl pyrophosphate synthase, MAGNESIUM ION, [2-(PYRIDIN-2-YLAMINO)ETHANE-1,1-DIYL]BIS(PHOSPHONIC ACID)
著者Cao, R, Mao, J, Gao, Y, Robinson, H, Odeh, S, Goddard, A, Oldfield, E.
登録日2006-08-13
公開日2006-10-17
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (2.28 Å)
主引用文献Solid-state NMR, crystallographic, and computational investigation of bisphosphonates and farnesyl diphosphate synthase-bisphosphonate complexes.
J.Am.Chem.Soc., 128, 2006
4W6E
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BU of 4w6e by Molmil
Human Tankyrase 1 with small molecule inhibitor
分子名称: 2-(4-{6-[(3S)-3,4-dimethylpiperazin-1-yl]-4-methylpyridin-3-yl}phenyl)-8-(hydroxymethyl)quinazolin-4(3H)-one, Tankyrase-1, ZINC ION
著者Kazmirski, S.L, Johannes, J, Boriack-Sjodin, P.A, Howard, T.
登録日2014-08-20
公開日2015-05-13
最終更新日2023-12-27
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献Pyrimidinone nicotinamide mimetics as selective tankyrase and wnt pathway inhibitors suitable for in vivo pharmacology.
Acs Med.Chem.Lett., 6, 2015
5V1X
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BU of 5v1x by Molmil
Carbon Sulfoxide lyase, Egt2 Y134F in complex with its substrate
分子名称: (1S)-2-{2-[(R)-(2R)-2-amino-2-carboxyethanesulfinyl]-1H-imidazol-4-yl}-1-carboxy-N,N,N-trimethylethan-1-aminium, FORMIC ACID, Hercynylcysteine sulfoxide lyase
著者Irani, S, Zhang, Y.
登録日2017-03-02
公開日2018-03-07
最終更新日2024-05-15
実験手法X-RAY DIFFRACTION (2.558 Å)
主引用文献Snapshots of C-S Cleavage in Egt2 Reveals Substrate Specificity and Reaction Mechanism.
Cell Chem Biol, 25, 2018
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
分子名称: 16.g.07 Heavy chain, 16.g.07 Light chain, 2-acetamido-2-deoxy-beta-D-glucopyranose, ...
著者Joyce, M.G, Thomas, P.V, Wheatley, A.K, McDermott, A.B, Mascola, J.R, Kwong, P.D.
登録日2016-06-01
公開日2016-11-30
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.785 Å)
主引用文献Vaccine-Induced Antibodies that Neutralize Group 1 and Group 2 Influenza A Viruses.
Cell(Cambridge,Mass.), 166, 2016
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.
分子名称: 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, ...
著者Joyce, M.G, Thomas, P.V, Wheatley, A.K, McDermott, A.B, Mascola, J.R, Kwong, P.D.
登録日2016-05-31
公開日2016-12-21
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.97 Å)
主引用文献Vaccine-Induced Antibodies that Neutralize Group 1 and Group 2 Influenza A Viruses.
Cell, 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.
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, ANTIBODY 31.A.83 FAB HEAVY CHAIN, ANTIBODY 31.A.83 FAB LIGHT CHAIN, ...
著者Joyce, M.G, Thomas, P.V, Wheatley, A.K, McDermott, A.B, Mascola, J.R, Kwong, P.D.
登録日2016-06-01
公開日2017-02-22
最終更新日2020-07-29
実験手法X-RAY DIFFRACTION (3.514 Å)
主引用文献Vaccine-Induced Antibodies that Neutralize Group 1 and Group 2 Influenza A Viruses.
Cell, 166, 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
分子名称: 31.b.09 Heavy Fv, 31.b.09 Light Fv, Hemagglutinin, ...
著者Joyce, M.G, Thomas, P.V, Wheatley, A.K, McDermott, A.B, Mascola, J.R, Kwong, P.D.
登録日2016-06-01
公開日2016-12-28
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (3.387 Å)
主引用文献Vaccine-Induced Antibodies that Neutralize Group 1 and Group 2 Influenza A Viruses.
Cell, 166, 2016
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
分子名称: 16.a.26 Heavy chain, 16.a.26 Light chain, 2-acetamido-2-deoxy-beta-D-glucopyranose, ...
著者Joyce, M.G, Thomas, P.V, Wheatley, A.K, McDermott, A.B, Mascola, J.R, Kwong, P.D.
登録日2016-06-01
公開日2016-11-30
最終更新日2020-07-29
実験手法X-RAY DIFFRACTION (2.503 Å)
主引用文献Vaccine-Induced Antibodies that Neutralize Group 1 and Group 2 Influenza A Viruses.
Cell(Cambridge,Mass.), 166, 2016
5UTS
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BU of 5uts by Molmil
Carbon Sulfoxide lyase, Egt2 in the Ergothioneine biosynthesis pathway
分子名称: C-S Lyase Egt2, FORMIC ACID
著者Irani, S, Zhang, Y.
登録日2017-02-15
公開日2018-02-21
最終更新日2019-03-20
実験手法X-RAY DIFFRACTION (2.303 Å)
主引用文献Snapshots of C-S Cleavage in Egt2 Reveals Substrate Specificity and Reaction Mechanism.
Cell Chem Biol, 25, 2018
4IN0
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BU of 4in0 by Molmil
Crystal Structure of human splicing factor dim2/TXNL4B
分子名称: Thioredoxin-like protein 4B, beta-D-fructofuranose-(2-1)-alpha-D-glucopyranose
著者Jin, T.C, Guo, F, Zhang, Y.Z.
登録日2013-01-03
公開日2013-03-13
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.327 Å)
主引用文献High-resolution crystal structure of human Dim2/TXNL4B.
Acta Crystallogr.,Sect.F, 69, 2013
5N8C
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BU of 5n8c by Molmil
Crystal structure of Pseudomonas aeruginosa LpxC complexed with inhibitor
分子名称: (2~{S})-3-azanyl-2-[[(1~{R})-5-[2-[4-[[2-(hydroxymethyl)imidazol-1-yl]methyl]phenyl]ethynyl]-2,3-dihydro-1~{H}-inden-1-yl]amino]-3-methyl-~{N}-oxidanyl-butanamide, CHLORIDE ION, UDP-3-O-acyl-N-acetylglucosamine deacetylase, ...
著者Cross, J.B, Ryan, M.D, Zhang, J, Cheng, R.K, Wood, M, Andersen, O.A, Brooks, M, Kwong, J, Barker, J.
登録日2017-02-23
公開日2017-03-29
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Structure-based discovery of LpxC inhibitors.
Bioorg. Med. Chem. Lett., 27, 2017
7TB4
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BU of 7tb4 by Molmil
Cryo-EM structure of the spike of SARS-CoV-2 Omicron variant of concern
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Surface glycoprotein
著者Zhou, T, Tsybovsky, T, Kwong, P.D.
登録日2021-12-21
公開日2022-01-12
最終更新日2022-01-19
実験手法ELECTRON MICROSCOPY (3.29 Å)
主引用文献Antibodies with potent and broad neutralizing activity against antigenically diverse and highly transmissible SARS-CoV-2 variants.
Biorxiv, 2021
7TB8
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BU of 7tb8 by Molmil
Cryo-EM structure of SARS-CoV-2 spike in complex with antibodies B1-182.1 and A19-61.1
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-3)-2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ...
著者Zhou, T, Tsybovsky, T, Kwong, P.D.
登録日2021-12-21
公開日2022-03-30
最終更新日2022-10-19
実験手法ELECTRON MICROSCOPY (2.83 Å)
主引用文献Structural basis for potent antibody neutralization of SARS-CoV-2 variants including B.1.1.529.
Science, 376, 2022
7TBF
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BU of 7tbf by Molmil
Locally refined region of SARS-CoV-2 spike in complex with antibodies B1-182.1 and A19-61.1
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Heavy chain of SARS-CoV-2 antibody A19-61.1, Heavy chain of SARS-CoV-2 antibody B1-182.1, ...
著者Zhou, T, Tsybovsky, T, Kwong, P.D.
登録日2021-12-21
公開日2022-03-30
最終更新日2022-10-19
実験手法ELECTRON MICROSCOPY (3.1 Å)
主引用文献Structural basis for potent antibody neutralization of SARS-CoV-2 variants including B.1.1.529.
Science, 376, 2022
7TCA
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BU of 7tca by Molmil
Cryo-EM structure of SARS-CoV-2 Omicron spike in complex with antibody A19-46.1
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Heavy chain of antibody A19-46.1, ...
著者Zhou, T, Kwong, P.D.
登録日2021-12-23
公開日2022-03-30
最終更新日2022-10-19
実験手法ELECTRON MICROSCOPY (3.85 Å)
主引用文献Structural basis for potent antibody neutralization of SARS-CoV-2 variants including B.1.1.529.
Science, 376, 2022
7TCC
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BU of 7tcc by Molmil
Cryo-EM structure of SARS-CoV-2 Omicron spike in complex with antibodies A19-46.1 and B1-182.1
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Heavy chain of antibody A19-46.1, ...
著者Zhou, T, Kwong, P.D.
登録日2021-12-23
公開日2022-03-30
最終更新日2022-10-19
実験手法ELECTRON MICROSCOPY (3.86 Å)
主引用文献Structural basis for potent antibody neutralization of SARS-CoV-2 variants including B.1.1.529.
Science, 376, 2022
7TC9
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BU of 7tc9 by Molmil
Locally refined region of SARS-CoV-2 spike in complex with antibody A19-46.1
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, Heavy chain of antibody A19-46.1, Light chain of antibody A19-46.1, ...
著者Zhou, T, Kwong, P.D.
登録日2021-12-23
公開日2022-03-30
最終更新日2022-10-19
実験手法ELECTRON MICROSCOPY (5.08 Å)
主引用文献Structural basis for potent antibody neutralization of SARS-CoV-2 variants including B.1.1.529.
Science, 376, 2022

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