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6VW0
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BU of 6vw0 by Molmil
Mycobacterium tuberculosis RNAP S456L mutant open promoter complex
分子名称: DNA (65-MER), DNA-directed RNA polymerase subunit alpha, DNA-directed RNA polymerase subunit beta, ...
著者Lilic, M, Boyaci, H, Chen, J, Darst, S.A, Campbell, E.A.
登録日2020-02-18
公開日2020-10-21
最終更新日2024-03-06
実験手法ELECTRON MICROSCOPY (3.59 Å)
主引用文献The antibiotic sorangicin A inhibits promoter DNA unwinding in a Mycobacterium tuberculosis rifampicin-resistant RNA polymerase.
Proc.Natl.Acad.Sci.USA, 117, 2020
6VVX
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BU of 6vvx by Molmil
Mycobacterium tuberculosis WT RNAP transcription initiation intermediate structure with Sorangicin
分子名称: DNA (63-MER), DNA (65-MER), DNA-directed RNA polymerase subunit alpha, ...
著者Lilic, M, Boyaci, H, Chen, J, Campbell, E.A, Darst, S.A.
登録日2020-02-18
公開日2020-10-21
最終更新日2024-03-06
実験手法ELECTRON MICROSCOPY (3.39 Å)
主引用文献The antibiotic sorangicin A inhibits promoter DNA unwinding in a Mycobacterium tuberculosis rifampicin-resistant RNA polymerase.
Proc.Natl.Acad.Sci.USA, 117, 2020
6CDX
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BU of 6cdx by Molmil
High-resolution crystal structure of fluoropropylated cystine knot, binding to alpha-5 beta-6 integrin
分子名称: cystine knot (fluoropropylated)
著者Kimura, R, Nix, J, Bongura, C, Chakraborti, S, Gambhir, S, Filipp, F.V.
登録日2018-02-09
公開日2019-08-14
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (1 Å)
主引用文献Evaluation of integrin alpha v beta6cystine knot PET tracers to detect cancer and idiopathic pulmonary fibrosis.
Nat Commun, 10, 2019
6VVZ
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BU of 6vvz by Molmil
Mycobacterium tuberculosis RNAP S456L mutant transcription initiation intermediate structure with Sorangicin
分子名称: DNA (62-MER), DNA (65-MER), DNA-directed RNA polymerase subunit alpha, ...
著者Lilic, M, Boyaci, H, Chen, J, Darst, S.A, Campbell, E.A.
登録日2020-02-18
公開日2020-10-21
最終更新日2024-03-06
実験手法ELECTRON MICROSCOPY (3.72 Å)
主引用文献The antibiotic sorangicin A inhibits promoter DNA unwinding in a Mycobacterium tuberculosis rifampicin-resistant RNA polymerase.
Proc.Natl.Acad.Sci.USA, 117, 2020
5NNW
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BU of 5nnw by Molmil
NLPPya in complex with glucosamine
分子名称: 2-amino-2-deoxy-beta-D-glucopyranose, 25 kDa protein elicitor, MAGNESIUM ION
著者Podobnik, M, Anderluh, G, Lenarcic, T.
登録日2017-04-10
公開日2017-12-27
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.54 Å)
主引用文献Eudicot plant-specific sphingolipids determine host selectivity of microbial NLP cytolysins.
Science, 358, 2017
5NO9
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BU of 5no9 by Molmil
NLPPya in complex with mannosamine
分子名称: 2-amino-2-deoxy-alpha-D-mannopyranose, 25 kDa protein elicitor, MAGNESIUM ION
著者Podobnik, M, Anderluh, G, Lenarcic, T.
登録日2017-04-11
公開日2017-12-27
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.75 Å)
主引用文献Eudicot plant-specific sphingolipids determine host selectivity of microbial NLP cytolysins.
Science, 358, 2017
6FX7
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BU of 6fx7 by Molmil
Crystal structure of in vitro evolved Af1521
分子名称: [(2R,3S,4R,5R)-5-(6-AMINOPURIN-9-YL)-3,4-DIHYDROXY-OXOLAN-2-YL]METHYL [HYDROXY-[[(2R,3S,4R,5S)-3,4,5-TRIHYDROXYOXOLAN-2-YL]METHOXY]PHOSPHORYL] HYDROGEN PHOSPHATE, [Protein ADP-ribosylglutamate] hydrolase AF_1521
著者Karlberg, T, Thorsell, A.G, Nowak, K, Hottiger, M.O, Schuler, H.
登録日2018-03-08
公開日2019-09-25
最終更新日2024-05-01
実験手法X-RAY DIFFRACTION (1.82 Å)
主引用文献Engineering Af1521 improves ADP-ribose binding and identification of ADP-ribosylated proteins.
Nat Commun, 11, 2020
4AX9
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BU of 4ax9 by Molmil
Human thrombin complexed with Napsagatran, RO0466240
分子名称: 2-[[(2S)-4-[[(3S)-1-carbamimidoylpiperidin-3-yl]methylamino]-2-(naphthalen-2-ylsulfonylamino)-4-oxidanylidene-butanoyl] -cyclopropyl-amino]ethanoic acid, 2-acetamido-2-deoxy-beta-D-glucopyranose, HIRUDIN VARIANT-1, ...
著者Banner, D.W, D'Arcy, A, Winkler, F.K, Hilpert, K, Spinelli, S, Cambillau, C.
登録日2012-06-11
公開日2012-06-20
最終更新日2024-05-01
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Design and Synthesis of Potent and Highly Selective Thrombin Inhibitors.
J.Med.Chem., 37, 1994
4AYV
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BU of 4ayv by Molmil
Human thrombin - inhibitor complex
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, HIRUDIN-3A', SODIUM ION, ...
著者Banner, D.W, D'Arcy, A, Winkler, F.K, Hilpert, K.
登録日2012-06-22
公開日2012-08-15
最終更新日2020-07-29
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Design and Synthesis of Potent and Highly Selective Thrombin Inhibitors.
J.Med.Chem., 37, 1994
4AZ2
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BU of 4az2 by Molmil
Human thrombin - inhibitor complex
分子名称: (R)-N-((S)-1-CARBAMIMIDOYL-PIPERIDIN-3-YLMETHYL)-2-(NAPHTHALENE-2-SULFONYLAMINO)-3-PHENYL-PROPIONAMIDE, 2-acetamido-2-deoxy-beta-D-glucopyranose, HIRUDIN-3A', ...
著者Banner, D.W, D'Arcy, A, Winkler, F.K, Hilpert, K.
登録日2012-06-22
公開日2012-08-15
最終更新日2024-05-01
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Design and Synthesis of Potent and Highly Selective Thrombin Inhibitors.
J.Med.Chem., 37, 1994
4AYY
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BU of 4ayy by Molmil
Human thrombin - inhibitor complex
分子名称: (R)-1-[(S)-3-[((S)-1-Carbamimidoyl-piperidin-3-ylmethyl)-carbamoyl]-2-(naphthalene-2-sulfonylamino)-propionyl]-4-methyl-piperidine-2-carboxylic acid, 2-acetamido-2-deoxy-beta-D-glucopyranose, HIRUDIN-3A', ...
著者Banner, D.W, D'Arcy, A, Winkler, F.K, Hilpert, K.
登録日2012-06-22
公開日2012-08-15
最終更新日2024-05-01
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Design and Synthesis of Potent and Highly Selective Thrombin Inhibitors.
J.Med.Chem., 37, 1994
5O22
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BU of 5o22 by Molmil
E. coli FolD in complex with carolacton
分子名称: Bifunctional protein FolD, Carolacton
著者Koehnke, J, Sikandar, A.
登録日2017-05-19
公開日2018-02-28
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献The natural product carolacton inhibits folate-dependent C1 metabolism by targeting FolD/MTHFD.
Nat Commun, 8, 2017
3EWU
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BU of 3ewu by Molmil
D312N mutant of human orotidyl-5'-monophosphate decarboxylase in complex with 6-acetyl-UMP, covalent adduct
分子名称: 6-ethyluridine 5'-phosphate, GLYCEROL, Orotidine-5'-phosphate decarboxylase, ...
著者Heinrich, D, Wittmann, J, Diederichsen, U, Rudolph, M.
登録日2008-10-16
公開日2009-04-07
最終更新日2023-12-27
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Lys314 is a nucleophile in non-classical reactions of orotidine-5'-monophosphate decarboxylase
Chemistry, 15, 2009
2WET
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BU of 2wet by Molmil
Crystal structure of tryptophan 5-halogenase (PyrH) complex with FAD (tryptophan)
分子名称: CHLORIDE ION, FLAVIN-ADENINE DINUCLEOTIDE, SULFATE ION, ...
著者De Laurentis, W, Zhu, X, Naismith, J.H.
登録日2009-04-01
公開日2009-04-14
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Structural Insights in the Regioselectivity in the Enzymatic Chlorination of Tryptophan.
J.Mol.Biol., 391, 2009
5O28
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BU of 5o28 by Molmil
E. coli FolD apo
分子名称: Bifunctional protein FolD
著者Koehnke, J, Sikandar, A.
登録日2017-05-19
公開日2018-02-28
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.89 Å)
主引用文献The natural product carolacton inhibits folate-dependent C1 metabolism by targeting FolD/MTHFD.
Nat Commun, 8, 2017
2WES
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BU of 2wes by Molmil
Crystal structures of mutant E46Q of tryptophan 5-halogenase (PyrH)
分子名称: CHLORIDE ION, FLAVIN-ADENINE DINUCLEOTIDE, TRYPTOPHAN 5-HALOGENASE
著者Zhu, X, Naismith, J.H.
登録日2009-04-01
公開日2009-04-21
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Structural Insights in the Regioselectivity in the Enzymatic Chlorination of Tryptophan.
J.Mol.Biol., 391, 2009
7NAM
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BU of 7nam by Molmil
LRP6_E1 in complex with Lr-EET-3.5
分子名称: Low-density lipoprotein receptor-related protein 6, SODIUM ION, Trypsin inhibitor 2, ...
著者Hansen, S, Hannoush, R.N.
登録日2021-06-21
公開日2022-06-29
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Directed evolution identifies high-affinity cystine-knot peptide agonists and antagonists of Wnt/ beta-catenin signaling.
Proc.Natl.Acad.Sci.USA, 119, 2022
3EWX
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BU of 3ewx by Molmil
K314A mutant of human orotidyl-5'-monophosphate decarboxylase in complex with 6-azido-UMP, degraded to BMP
分子名称: 6-HYDROXYURIDINE-5'-PHOSPHATE, GLYCEROL, Orotidine-5'-phosphate decarboxylase
著者Heinrich, D, Wittmann, J, Diederichsen, U, Rudolph, M.
登録日2008-10-16
公開日2009-04-07
最終更新日2023-12-27
実験手法X-RAY DIFFRACTION (1.4 Å)
主引用文献Lys314 is a nucleophile in non-classical reactions of orotidine-5'-monophosphate decarboxylase
Chemistry, 15, 2009
6VVT
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BU of 6vvt by Molmil
Crystal structure of a Mycobacterium smegmatis transcription initiation complex with Rifampicin-resistant RNA polymerase and antibiotic Sorangicin
分子名称: 1,2-ETHANEDIOL, DNA (26-MER), DNA (31-MER), ...
著者Lilic, M, Darst, S.A, Campbell, E.A.
登録日2020-02-18
公開日2020-10-21
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.901 Å)
主引用文献The antibiotic sorangicin A inhibits promoter DNA unwinding in a Mycobacterium tuberculosis rifampicin-resistant RNA polymerase.
Proc.Natl.Acad.Sci.USA, 117, 2020
7NUR
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BU of 7nur by Molmil
Structure of the Toxoplasma gondii kinase Ron13, kinase-dead mutant
分子名称: Protein kinase domain-containing protein
著者Korkhov, V.M, Mehta, V.
登録日2021-03-13
公開日2021-05-26
最終更新日2021-07-07
実験手法ELECTRON MICROSCOPY (3.125 Å)
主引用文献Structural insights into an atypical secretory pathway kinase crucial for Toxoplasma gondii invasion.
Nat Commun, 12, 2021
2WEU
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BU of 2weu by Molmil
Crystal structure of tryptophan 5-halogenase (PyrH) complex with substrate tryptophan
分子名称: TRYPTOPHAN, TRYPTOPHAN 5-HALOGENASE
著者Leang, K, Zhu, X, Naismith, J.H.
登録日2009-04-01
公開日2009-04-14
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Structural Insights in the Regioselectivity in the Enzymatic Chlorination of Tryptophan.
J.Mol.Biol., 391, 2009
2WCX
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BU of 2wcx by Molmil
Crystal Structure of Hepatitis C Virus NS5B Polymerase in Complex with Thienopyrrole-Based Finger-Loop Inhibitors
分子名称: 6-CYCLOHEXYL-4-METHYL-5-PHENYL-4H-THIENO[3,2-B]PYRROLE-2-CARBOXYLIC ACID, MANGANESE (II) ION, RNA-DIRECTED RNA POLYMERASE
著者Di Marco, S.
登録日2009-03-17
公開日2009-08-18
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Optimization of Thienopyrrole-Based Finger-Loop Inhibitors of the Hepatitis C Virus Ns5B Polymerase.
Chemmedchem, 4, 2009
7O0N
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BU of 7o0n by Molmil
Crystal structure of a ParB E93A mutant from Myxococcus xanthus bound to CDP and monothiophosphate
分子名称: CYTIDINE-5'-DIPHOSPHATE, DI(HYDROXYETHYL)ETHER, GLYCEROL, ...
著者Altegoer, F, Bange, G.
登録日2021-03-26
公開日2021-09-15
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.89 Å)
主引用文献The CTPase activity of ParB determines the size and dynamics of prokaryotic DNA partition complexes.
Mol.Cell, 81, 2021
6VVV
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BU of 6vvv by Molmil
Crystal structure of a Mycobacterium smegmatis transcription initiation complex with Rifampicin-resistant RNA polymerase
分子名称: DNA (26-MER), DNA (31-MER), DNA-directed RNA polymerase subunit alpha, ...
著者Lilic, M, Darst, S.A, Campbell, E.A.
登録日2020-02-18
公開日2020-10-21
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (3.2 Å)
主引用文献The antibiotic sorangicin A inhibits promoter DNA unwinding in a Mycobacterium tuberculosis rifampicin-resistant RNA polymerase.
Proc.Natl.Acad.Sci.USA, 117, 2020
6BA2
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BU of 6ba2 by Molmil
Crystal structure of MYST acetyltransferase domain in complex with inhibitor
分子名称: 4-fluoro-5-methyl-N'-(phenylsulfonyl)[1,1'-biphenyl]-3-carbohydrazide, CHLORIDE ION, GLYCEROL, ...
著者Hermans, S.J, Chung, M.C, Peat, T.S, Baell, J.B, Thomas, T, Parker, M.W.
登録日2017-10-11
公開日2018-08-01
最終更新日2020-01-08
実験手法X-RAY DIFFRACTION (1.85003817 Å)
主引用文献Inhibitors of histone acetyltransferases KAT6A/B induce senescence and arrest tumour growth.
Nature, 560, 2018

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