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6YD9
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BU of 6yd9 by Molmil
Ecoli GyrB24 with inhibitor 16a
Descriptor: 1,2-ETHANEDIOL, DNA gyrase subunit B, N-[6-(3-azanylpropanoylamino)-1,3-benzothiazol-2-yl]-3,4-bis(chloranyl)-5-methyl-1H-pyrrole-2-carboxamide
Authors:Barancokova, M, Skok, Z, Benek, O, Cruz, C.D, Tammela, P, Tomasic, T, Zidar, N, Masic, L.P, Zega, A, Stevenson, C.E.M, Mundy, J, Lawson, D.M, Maxwell, A.M, Kikelj, D, Ilas, J.
Deposit date:2020-03-20
Release date:2020-12-30
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Exploring the Chemical Space of Benzothiazole-Based DNA Gyrase B Inhibitors.
Acs Med.Chem.Lett., 11, 2020
6V7X
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BU of 6v7x by Molmil
Structure of a phage-encoded quorum sensing anti-activator, Aqs1 bound to LasR
Descriptor: N-3-OXO-DODECANOYL-L-HOMOSERINE LACTONE, QUORUM SENSING ANTI-ACTIVATOR PROTEIN AQS1, Transcriptional regulator LasR
Authors:Shah, M, Moraes, T.F, Maxwell, K.L.
Deposit date:2019-12-09
Release date:2020-12-16
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:A phage-encoded anti-activator inhibits quorum sensing in Pseudomonas aeruginosa.
Mol.Cell, 81, 2021
6V7V
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BU of 6v7v by Molmil
Structure of a phage-encoded quorum sensing anti-activator, Aqs1
Descriptor: Quorum sensing anti-activator Aqs1
Authors:Shah, M, Moraes, T.F, Maxwell, K.L.
Deposit date:2019-12-09
Release date:2020-12-16
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:A phage-encoded anti-activator inhibits quorum sensing in Pseudomonas aeruginosa.
Mol.Cell, 81, 2021
6N05
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BU of 6n05 by Molmil
Structure of anti-crispr protein, AcrIIC2
Descriptor: AcrIIC2
Authors:Shah, M, Thavalingham, A, Maxwell, K.L, Moraes, T.F.
Deposit date:2018-11-06
Release date:2019-06-05
Last modified:2024-10-23
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Inhibition of CRISPR-Cas9 ribonucleoprotein complex assembly by anti-CRISPR AcrIIC2.
Nat Commun, 10, 2019
6WA3
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BU of 6wa3 by Molmil
Solution NMR structure of the myristoylated feline immunodeficiency virus matrix protein
Descriptor: MYRISTIC ACID, Matrix protein
Authors:Brown, J.B, Summers, H.R, Brown, L.A, Marchant, J, Canova, P.N, O'Hern, C.T, Abbott, S, Nyaunu, C, Maxwell, S, Johnson, T, Moser, M, Ablan, S.D, Carter, H, Freed, E.O, Summers, M.F.
Deposit date:2020-03-24
Release date:2020-07-22
Last modified:2024-11-06
Method:SOLUTION NMR
Cite:Structural and Mechanistic Studies of the Rare Myristoylation Signal of the Feline Immunodeficiency Virus.
J.Mol.Biol., 432, 2020
6V7W
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BU of 6v7w by Molmil
Crystal structure of LasR-Aqs1 complex from Pseudomonas aeruginosa
Descriptor: N-3-OXO-DODECANOYL-L-HOMOSERINE LACTONE, QUORUM SENSING ANTI-ACTIVATOR PROTEIN AQS1, Transcriptional regulator LasR
Authors:Shah, M, Moraes, T.F, Maxwell, K.L.
Deposit date:2019-12-09
Release date:2020-12-16
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (3 Å)
Cite:A phage-encoded anti-activator inhibits quorum sensing in Pseudomonas aeruginosa.
Mol.Cell, 81, 2021
6V7U
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BU of 6v7u by Molmil
Structure of a phage-encoded quorum sensing anti-activator, Aqs1
Descriptor: Quorum sensing anti-activator protein Aqs1
Authors:Shah, M, Moraes, T.F, Maxwell, K.L.
Deposit date:2019-12-09
Release date:2020-12-16
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (2.08 Å)
Cite:A phage-encoded anti-activator inhibits quorum sensing in Pseudomonas aeruginosa.
Mol.Cell, 81, 2021
6WA4
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BU of 6wa4 by Molmil
Solution NMR structure of the unmyristoylated feline immunodeficiency virus matrix protein
Descriptor: Matrix protein
Authors:Brown, J.B, Summers, H.R, Brown, L.A, Marchant, J, Canova, P.N, O'Hern, C.T, Abbott, S.T, Nyaunu, C, Maxwell, S, Johnson, T, Moser, M.B, Carter, H, Ablan, S, Freed, E.O, Summers, M.F.
Deposit date:2020-03-24
Release date:2020-07-22
Last modified:2024-05-15
Method:SOLUTION NMR
Cite:Structural and Mechanistic Studies of the Rare Myristoylation Signal of the Feline Immunodeficiency Virus.
J.Mol.Biol., 432, 2020
6WA5
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BU of 6wa5 by Molmil
Solution NMR Structure of the G4L/Q5K/G6S (NOS) Unmyristoylated Feline Immunodeficiency Virus Matrix Protein
Descriptor: Matrix protein
Authors:Brown, J.B, Summers, H.R, Brown, L.A, Marchant, J, Canova, P.N, O'Hern, C.T, Abbott, S.T, Nyaunu, C, Maxwell, S, Johnson, T, Moser, M.B, Ablan, S.A, Carter, H, Freed, E.O, Summers, M.F.
Deposit date:2020-03-24
Release date:2020-07-22
Last modified:2024-05-15
Method:SOLUTION NMR
Cite:Structural and Mechanistic Studies of the Rare Myristoylation Signal of the Feline Immunodeficiency Virus.
J.Mol.Biol., 432, 2020
6F86
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BU of 6f86 by Molmil
Crystal Structure of E. coli GyraseB 24kDa in complex with 4-(4-bromo-1H-pyrazol-1-yl)-6-[(ethylcarbamoyl)amino]-N-(pyridin-3-yl)pyridine-3-carboxamide
Descriptor: 4-(4-bromanylpyrazol-1-yl)-6-(ethylcarbamoylamino)-~{N}-pyridin-3-yl-pyridine-3-carboxamide, DNA gyrase subunit B
Authors:Narramore, S.K, Stevenson, C.E.M, Lawson, D.M, Maxwell, A, Fishwick, C.W.G.
Deposit date:2017-12-12
Release date:2019-06-26
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:New insights into the binding mode of pyridine-3-carboxamide inhibitors of E. coli DNA gyrase.
Bioorg.Med.Chem., 27, 2019
6F94
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BU of 6f94 by Molmil
Crystal Structure of E. coli GyraseB 24kDa in complex with 6-[(ethylcarbamoyl)amino]-4-[(3-methyphenyl)amino]-N-(3-methyphenyl)pyridine-3-carboxamide
Descriptor: 6-(ethylcarbamoylamino)-~{N}-(3-methylphenyl)-4-[(3-methylphenyl)amino]pyridine-3-carboxamide, DNA gyrase subunit B
Authors:Narramore, S.K, Stevenson, C.E.M, Lawson, D.M, Maxwell, A, Fishwick, C.W.G.
Deposit date:2017-12-14
Release date:2019-06-26
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (2.35 Å)
Cite:New insights into the binding mode of pyridine-3-carboxamide inhibitors of E. coli DNA gyrase.
Bioorg.Med.Chem., 27, 2019
6FQV
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BU of 6fqv by Molmil
2.60A BINARY COMPLEX OF S.AUREUS GYRASE with UNCLEAVED DNA
Descriptor: DNA (5'-D(*GP*AP*GP*CP*GP*TP*AP*CP*GP*GP*CP*CP*GP*TP*AP*CP*GP*CP*TP*T)-3'), DNA gyrase subunit A, DNA gyrase subunit B,DNA gyrase subunit B, ...
Authors:Bax, B.D, Germe, T, Basque, E, Maxwell, A.
Deposit date:2018-02-14
Release date:2018-04-04
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:A new class of antibacterials, the imidazopyrazinones, reveal structural transitions involved in DNA gyrase poisoning and mechanisms of resistance.
Nucleic Acids Res., 46, 2018
6Y8O
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BU of 6y8o by Molmil
Mycobacterium smegmatis GyrB 22kDa ATPase sub-domain in complex with novobiocin
Descriptor: 1,2-ETHANEDIOL, ACETATE ION, DNA gyrase subunit B, ...
Authors:Henderson, S.R, Stevenson, C.E.M, Malone, B, Zholnerovych, Y, Mitchenall, L.A, Pichowicz, M, McGarry, D.H, Cooper, I.R, Charrier, C, Salisbury, A, Lawson, D.M, Maxwell, A.
Deposit date:2020-03-05
Release date:2020-08-12
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Structural and mechanistic analysis of ATPase inhibitors targeting mycobacterial DNA gyrase.
J.Antimicrob.Chemother., 75, 2020
6FQM
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BU of 6fqm by Molmil
3.06A COMPLEX OF S.AUREUS GYRASE with imidazopyrazinone T1 AND DNA
Descriptor: 7-[(3~{S})-3-azanylpyrrolidin-1-yl]-5-cyclopropyl-8-fluoranyl-imidazo[1,2-a]quinoxalin-4-one, DNA (5'-D(*GP*AP*GP*AP*GP*TP*AP*T*GP*GP*CP*CP*AP*TP*AP*CP*TP*CP*T)-3'), DNA gyrase subunit A, ...
Authors:Bax, B.D, Germe, T, Basque, E, Maxwell, A.
Deposit date:2018-02-14
Release date:2018-04-04
Last modified:2024-10-23
Method:X-RAY DIFFRACTION (3.06 Å)
Cite:A new class of antibacterials, the imidazopyrazinones, reveal structural transitions involved in DNA gyrase poisoning and mechanisms of resistance.
Nucleic Acids Res., 46, 2018
6FQS
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BU of 6fqs by Molmil
3.11A complex of S.Aureus gyrase with imidazopyrazinone T3 and DNA
Descriptor: 5-cyclopropyl-8-fluoranyl-7-pyridin-4-yl-imidazo[1,2-a]quinoxalin-4-one, DNA (5'-D(*GP*AP*GP*AP*GP*TP*AP*T*GP*GP*CP*CP*AP*TP*AP*CP*TP*CP*TP*T)-3'), DNA gyrase subunit A, ...
Authors:Bax, B.D, Germe, T, Basque, E, Maxwell, A.
Deposit date:2018-02-14
Release date:2018-04-04
Last modified:2024-11-13
Method:X-RAY DIFFRACTION (3.11 Å)
Cite:A new class of antibacterials, the imidazopyrazinones, reveal structural transitions involved in DNA gyrase poisoning and mechanisms of resistance.
Nucleic Acids Res., 46, 2018
6Y8N
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BU of 6y8n by Molmil
Mycobacterium thermoresistibile GyrB21 in complex with Redx03863
Descriptor: 1,2-ETHANEDIOL, 4-[(1~{S},5~{R})-6-azanyl-3-azabicyclo[3.1.0]hexan-3-yl]-6-fluoranyl-~{N}-methyl-2-(2-methylpyrimidin-5-yl)oxy-9~{H}-pyrimido[4,5-b]indol-8-amine, DNA gyrase subunit B, ...
Authors:Henderson, S.R, Stevenson, C.E.M, Malone, B, Zholnerovych, Y, Mitchenall, L.A, Pichowicz, M, McGarry, D.H, Cooper, I.R, Charrier, C, Salisbury, A, Lawson, D.M, Maxwell, A.
Deposit date:2020-03-05
Release date:2020-08-12
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Structural and mechanistic analysis of ATPase inhibitors targeting mycobacterial DNA gyrase.
J.Antimicrob.Chemother., 75, 2020
6Y8L
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BU of 6y8l by Molmil
Mycobacterium thermoresistibile GyrB21 in complex with novobiocin
Descriptor: 1,2-ETHANEDIOL, DNA gyrase subunit B, NOVOBIOCIN, ...
Authors:Henderson, S.R, Stevenson, C.E.M, Malone, B, Zholnerovych, Y, Mitchenall, L.A, Pichowicz, M, McGarry, D.H, Cooper, I.R, Charrier, C, Salisbury, A, Lawson, D.M, Maxwell, A.
Deposit date:2020-03-05
Release date:2020-08-12
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.4 Å)
Cite:Structural and mechanistic analysis of ATPase inhibitors targeting mycobacterial DNA gyrase.
J.Antimicrob.Chemother., 75, 2020
6GRG
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BU of 6grg by Molmil
E. coli Microcin synthetase McbBCD complex with pro-MccB17, ADP and phosphate bound
Descriptor: 1,2-ETHANEDIOL, ADENOSINE-5'-DIPHOSPHATE, ADENOSINE-5'-TRIPHOSPHATE, ...
Authors:Ghilarov, D, Stevenson, C.E.M, Travin, D.Y, Piskunova, J, Serebryakova, M, Maxwell, A, Lawson, D.M, Severinov, K.
Deposit date:2018-06-11
Release date:2019-01-30
Last modified:2024-11-13
Method:X-RAY DIFFRACTION (2.35 Å)
Cite:Architecture of Microcin B17 Synthetase: An Octameric Protein Complex Converting a Ribosomally Synthesized Peptide into a DNA Gyrase Poison.
Mol. Cell, 73, 2019
6GRI
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BU of 6gri by Molmil
E. coli Microcin synthetase McbBCD complex
Descriptor: CHLORIDE ION, FLAVIN MONONUCLEOTIDE, Microcin B17-processing protein McbB, ...
Authors:Ghilarov, D, Stevenson, C.E.M, Travin, D.Y, Piskunova, J, Serebryakova, M, Maxwell, A, Lawson, D.M, Severinov, K.
Deposit date:2018-06-11
Release date:2019-01-30
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Architecture of Microcin B17 Synthetase: An Octameric Protein Complex Converting a Ribosomally Synthesized Peptide into a DNA Gyrase Poison.
Mol. Cell, 73, 2019
6GRH
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BU of 6grh by Molmil
E. coli Microcin synthetase McbBCD complex with truncated pro-MccB17 bound
Descriptor: 1,2-ETHANEDIOL, Bacteriocin microcin B17, CHLORIDE ION, ...
Authors:Ghilarov, D, Stevenson, C.E.M, Travin, D.Y, Piskunova, J, Serebryakova, M, Maxwell, A, Lawson, D.M, Severinov, K.
Deposit date:2018-06-11
Release date:2019-01-30
Last modified:2024-11-13
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Architecture of Microcin B17 Synthetase: An Octameric Protein Complex Converting a Ribosomally Synthesized Peptide into a DNA Gyrase Poison.
Mol. Cell, 73, 2019
8F3K
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BU of 8f3k by Molmil
Anti-CRISPR protein AcrIIC5 inhibits CRISPR-Cas9 by acting as a DNA mimic
Descriptor: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, ACRIIC5Nch, AMMONIUM ION, ...
Authors:Shah, M, Sungwon, H, Davidson, A.R, Maxwell, K.L, Moraes, T.F.
Deposit date:2022-11-10
Release date:2023-03-08
Last modified:2024-10-23
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Anti-CRISPR Protein AcrIIC5 Inhibits CRISPR-Cas9 by Occupying the Target DNA Binding Pocket.
J.Mol.Biol., 435, 2023
6GOS
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BU of 6gos by Molmil
E. coli Microcin synthetase McbBCD complex with pro-MccB17 bound
Descriptor: 1,2-ETHANEDIOL, Bacteriocin microcin B17, CHLORIDE ION, ...
Authors:Ghilarov, D, Stevenson, C.E.M, Travin, D.Y, Piskunova, J, Serebryakova, M, Maxwell, A, Lawson, D.M, Severinov, K.
Deposit date:2018-06-04
Release date:2019-01-30
Last modified:2024-11-13
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Architecture of Microcin B17 Synthetase: An Octameric Protein Complex Converting a Ribosomally Synthesized Peptide into a DNA Gyrase Poison.
Mol. Cell, 73, 2019
1PSD
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BU of 1psd by Molmil
THE ALLOSTERIC LIGAND SITE IN THE VMAX-TYPE COOPERATIVE ENZYME PHOSPHOGLYCERATE DEHYDROGENASE
Descriptor: D-3-PHOSPHOGLYCERATE DEHYDROGENASE (PHOSPHOGLYCERATE DEHYDROGENASE), NICOTINAMIDE-ADENINE-DINUCLEOTIDE, SERINE
Authors:Schuller, D.J, Grant, G.A, Banaszak, L.J.
Deposit date:1995-05-02
Release date:1995-07-31
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (2.75 Å)
Cite:The allosteric ligand site in the Vmax-type cooperative enzyme phosphoglycerate dehydrogenase.
Nat.Struct.Biol., 2, 1995
1TON
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BU of 1ton by Molmil
RAT SUBMAXILLARY GLAND SERINE PROTEASE, TONIN. STRUCTURE SOLUTION AND REFINEMENT AT 1.8 ANGSTROMS RESOLUTION
Descriptor: TONIN, ZINC ION
Authors:Fujinaga, M, James, M.N.G.
Deposit date:1987-06-03
Release date:1988-01-16
Last modified:2024-10-30
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Rat submaxillary gland serine protease, tonin. Structure solution and refinement at 1.8 A resolution.
J.Mol.Biol., 195, 1987
7JHD
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BU of 7jhd by Molmil
Estrogen Receptor Alpha Ligand Binding Domain Y537S in Complex with TTC-352 and GRIP Peptide
Descriptor: 3-(4-fluorophenyl)-2-(4-hydroxyphenoxy)-1-benzothiophene-6-ol, Estrogen receptor, Nuclear receptor coactivator 2
Authors:Fanning, S.W, Abderraman, B, Maximov, P.Y, Jordan, V.C, Greene, G.L.
Deposit date:2020-07-20
Release date:2020-11-25
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.402 Å)
Cite:Rapid Induction of the Unfolded Protein Response and Apoptosis by Estrogen Mimic TTC-352 for the Treatment of Endocrine-Resistant Breast Cancer.
Mol.Cancer Ther., 20, 2021

238582

数据于2025-07-09公开中

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