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5EXA
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BU of 5exa by Molmil
Small-molecule stabilization of the 14-3-3/Gab2 PPI interface
分子名称: 14-3-3 protein zeta/delta, BENZOIC ACID, Fusicoccin A-THF derivative, ...
著者Bier, D, Ottmann, C.
登録日2015-11-23
公開日2016-05-04
最終更新日2018-12-19
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献Small-Molecule Stabilization of the 14-3-3/Gab2 Protein-Protein Interaction (PPI) Interface.
Chemmedchem, 11, 2016
5EWZ
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BU of 5ewz by Molmil
Small-molecule stabilization of the 14-3-3/Gab2 PPI interface
分子名称: 14-3-3 protein zeta/delta, BENZOIC ACID, GRB2-associated-binding protein 2
著者Bier, D, Ottmann, C.
登録日2015-11-23
公開日2016-05-04
最終更新日2018-12-19
実験手法X-RAY DIFFRACTION (2.34 Å)
主引用文献Small-Molecule Stabilization of the 14-3-3/Gab2 Protein-Protein Interaction (PPI) Interface.
Chemmedchem, 11, 2016
8GYH
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BU of 8gyh by Molmil
Crystal structure of Fic25 (apo form) from Streptomyces ficellus
分子名称: DegT/DnrJ/EryC1/StrS family aminotransferase, GLYCEROL, IMIDAZOLE
著者Kurosawa, S, Yoshida, A, Tomita, T, Nishiyama, M.
登録日2022-09-22
公開日2023-02-22
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Mechanisms of Sugar Aminotransferase-like Enzymes to Synthesize Stereoisomers of Non-proteinogenic Amino Acids in Natural Product Biosynthesis.
Acs Chem.Biol., 18, 2023
8GYI
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BU of 8gyi by Molmil
Crystal structure of Fic25 (holo form) from Streptomyces ficellus
分子名称: DegT/DnrJ/EryC1/StrS family aminotransferase, GLYCEROL, IMIDAZOLE, ...
著者Kurosawa, S, Yoshida, A, Tomita, T, Nishiyama, M.
登録日2022-09-22
公開日2023-02-22
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.93 Å)
主引用文献Mechanisms of Sugar Aminotransferase-like Enzymes to Synthesize Stereoisomers of Non-proteinogenic Amino Acids in Natural Product Biosynthesis.
Acs Chem.Biol., 18, 2023
8GYJ
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BU of 8gyj by Molmil
Crystal structure of Fic25 complexed with PLP-(5S,6S)-N2-acetyl-DADH adduct from Streptomyces ficellus
分子名称: (2~{S},5~{S},6~{S})-2-acetamido-6-[[2-methyl-3-oxidanyl-5-(phosphonooxymethyl)pyridin-4-yl]methylamino]-5,7-bis(oxidanyl)heptanoic acid, DegT/DnrJ/EryC1/StrS family aminotransferase, GLYCEROL, ...
著者Kurosawa, S, Yoshida, A, Tomita, T, Nishiyama, M.
登録日2022-09-22
公開日2023-02-22
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.82 Å)
主引用文献Mechanisms of Sugar Aminotransferase-like Enzymes to Synthesize Stereoisomers of Non-proteinogenic Amino Acids in Natural Product Biosynthesis.
Acs Chem.Biol., 18, 2023
7KWO
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BU of 7kwo by Molmil
rFVIIIFc-VWF-XTEN (BIVV001)
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, COPPER (II) ION, ...
著者Fuller, J.R, Batchelor, J.D.
登録日2020-12-01
公開日2021-03-03
最終更新日2021-06-09
実験手法ELECTRON MICROSCOPY (2.9 Å)
主引用文献Molecular determinants of the factor VIII/von Willebrand factor complex revealed by BIVV001 cryo-electron microscopy.
Blood, 137, 2021
6AHU
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BU of 6ahu by Molmil
Cryo-EM structure of human Ribonuclease P with mature tRNA
分子名称: H1 RNA, Ribonuclease P protein subunit p14, Ribonuclease P protein subunit p20, ...
著者Wu, J, Niu, S, Tan, M, Lan, P, Lei, M.
登録日2018-08-20
公開日2018-12-05
最終更新日2024-03-27
実験手法ELECTRON MICROSCOPY (3.66 Å)
主引用文献Cryo-EM Structure of the Human Ribonuclease P Holoenzyme.
Cell, 175, 2018
7B4R
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BU of 7b4r by Molmil
Structure of the 4'-phosphopantetheinyl transferase PptAb from Mycobacterium abscessus in complex with Coenzyme A and N-(2,6-diethylphenyl)-N'-(N-ethylcarbamimidoyl)urea
分子名称: COENZYME A, MANGANESE (II) ION, N-(2,6-diethylphenyl)-N'-(N-ethylcarbamimidoyl)urea, ...
著者Maveyraud, L, Carivenc, C, Blanger, C, Mourey, L.
登録日2020-12-02
公開日2021-11-10
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.4 Å)
主引用文献Phosphopantetheinyl transferase binding and inhibition by amidino-urea and hydroxypyrimidinethione compounds.
Sci Rep, 11, 2021
7B4S
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BU of 7b4s by Molmil
Structure of the 4'-phosphopantetheinyl transferase PptAb from Mycobacterium abscessus in complex with Coenzyme A and compound 153786 from the NCI Open Database
分子名称: 5-[(4-chlorophenyl)methyl]-6-[[2-(dimethylamino)ethylamino]methyl]-4-oxidanyl-1~{H}-pyrimidine-2-thione, COENZYME A, MANGANESE (II) ION, ...
著者Maveyraud, L, Carivenc, C, Mourey, L.
登録日2020-12-02
公開日2021-11-10
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.38 Å)
主引用文献Phosphopantetheinyl transferase binding and inhibition by amidino-urea and hydroxypyrimidinethione compounds.
Sci Rep, 11, 2021
3W7F
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BU of 3w7f by Molmil
Crystal structure of the C(30) carotenoid dehydrosqualene synthase from staphylococcus aureus complexed with farnesyl thiopyrophosphate
分子名称: Dehydrosqualene synthase, MAGNESIUM ION, S-[(2E,6E)-3,7,11-TRIMETHYLDODECA-2,6,10-TRIENYL] TRIHYDROGEN THIODIPHOSPHATE
著者Liu, C.I, Jeng, W.Y, Wang, A.H, Oldfield, E.
登録日2013-02-28
公開日2013-04-10
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (2.25 Å)
主引用文献A cholesterol biosynthesis inhibitor blocks Staphylococcus aureus virulence.
Science, 319, 2008
7BCZ
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BU of 7bcz by Molmil
Structure of the 4'-phosphopantetheinyl transferase PcpS from Pseudomonas aeruginosa
分子名称: 4'-phosphopantetheinyl transferase EntD, COENZYME A, MAGNESIUM ION, ...
著者Carivenc, C, Mourey, L, Pedelacq, J.D.
登録日2020-12-21
公開日2021-11-10
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Phosphopantetheinyl transferase binding and inhibition by amidino-urea and hydroxypyrimidinethione compounds.
Sci Rep, 11, 2021
7BDW
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BU of 7bdw by Molmil
Crystal structure of mycobacterial PptAb in complex with ACP and compound 8918
分子名称: COENZYME A, MANGANESE (II) ION, N-(2,6-diethylphenyl)-N'-(N-ethylcarbamimidoyl)urea, ...
著者Carivenc, C, Nguyen, M.C, Mourey, L, Pedelacq, J.D.
登録日2020-12-22
公開日2021-11-10
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (2.55 Å)
主引用文献Phosphopantetheinyl transferase binding and inhibition by amidino-urea and hydroxypyrimidinethione compounds.
Sci Rep, 11, 2021
7AHB
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BU of 7ahb by Molmil
Acyltransferase domain of the polyketide synthase PpsC of Mycobacterium tuberculosis
分子名称: GLYCEROL, Phthiocerol synthesis polyketide synthase type I PpsC, SODIUM ION, ...
著者Faille, A, Mourey, L, Pedelacq, J.D.
登録日2020-09-24
公開日2020-12-09
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Molecular Basis for Extender Unit Specificity of Mycobacterial Polyketide Synthases.
Acs Chem.Biol., 15, 2020
1PPV
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BU of 1ppv by Molmil
ISOPENTENYLPYROPHOSPHATE-DIMETHYLALLYLPYROPHOSPHATE ISOMERASE IN COMPLEX WITH THE BROMOHYDRINE OF IPP
分子名称: 4-BROMO-3-HYDROXY-3-METHYL BUTYL DIPHOSPHATE, Isopentenyl-diphosphate delta-isomerase, MAGNESIUM ION, ...
著者Wouters, J, Oldfield, E.
登録日2003-06-17
公開日2004-06-29
最終更新日2023-08-16
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献A Crystallographic Investigation of Phosphoantigen Binding to Isopentenyl Pyrophosphate/Dimethylallyl Pyrophosphate Isomerase
J.Am.Chem.Soc., 127, 2005
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
1PPW
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BU of 1ppw by Molmil
ISOPENTENYLPYROPHOSPHATE-DIMETHYLALLYLPYROPHOSPHATE ISOMERASE IN COMPLEX WITH THE BROMOHYDRINE OF IPP
分子名称: 4-HYDROXY-3-METHYL BUTYL DIPHOSPHATE, Isopentenyl-diphosphate delta-isomerase, MAGNESIUM ION, ...
著者Wouters, J, Oldfield, E.
登録日2003-06-17
公開日2004-06-24
最終更新日2023-08-16
実験手法X-RAY DIFFRACTION (2.21 Å)
主引用文献A Crystallographic Investigation of Phosphoantigen Binding to Isopentenyl Pyrophosphate/Dimethylallyl Pyrophosphate Isomerase
J.Am.Chem.Soc., 127, 2005
3T1G
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BU of 3t1g by Molmil
Engineering of organophosphate hydrolase by computational design and directed evolution
分子名称: CALCIUM ION, ZINC ION, organophosphate hydrolase
著者Takeuchi, R, Stoddard, B.L.
登録日2011-07-21
公開日2012-02-08
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (2.35 Å)
主引用文献Computational redesign of a mononuclear zinc metalloenzyme for organophosphate hydrolysis.
Nat.Chem.Biol., 8, 2012
2ZCS
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BU of 2zcs by Molmil
Crystal structure of the C(30) carotenoid dehydrosqualene synthase from Staphylococcus aureus complexed with bisphosphonate BPH-700
分子名称: Dehydrosqualene synthase, tripotassium (1R)-4-biphenyl-4-yl-1-phosphonatobutane-1-sulfonate
著者Liu, C.I, Jeng, W.Y, Wang, A.H, Oldfield, E.
登録日2007-11-11
公開日2008-03-11
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (2.03 Å)
主引用文献A cholesterol biosynthesis inhibitor blocks Staphylococcus aureus virulence.
Science, 319, 2008
1JBU
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BU of 1jbu by Molmil
Coagulation Factor VII Zymogen (EGF2/Protease) in Complex with Inhibitory Exosite Peptide A-183
分子名称: BENZAMIDINE, COAGULATION FACTOR VII, Peptide exosite inhibitor A-183, ...
著者Eigenbrot, C, Kirchhofer, D, Dennis, M.S, Santell, L, Lazarus, R.A, Stamos, J, Ultsch, M.H.
登録日2001-06-06
公開日2001-07-11
最終更新日2023-08-16
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献The factor VII zymogen structure reveals reregistration of beta strands during activation.
Structure, 9, 2001
2ZCQ
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BU of 2zcq by Molmil
Crystal structure of the C(30) carotenoid dehydrosqualene synthase from Staphylococcus aureus complexed with bisphosphonate BPH-652
分子名称: (1R)-4-(3-phenoxyphenyl)-1-phosphonobutane-1-sulfonic acid, Dehydrosqualene synthase, MAGNESIUM ION
著者Liu, C.I, Jeng, W.Y, Wang, A.H, Oldfield, E.
登録日2007-11-11
公開日2008-03-11
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (2.38 Å)
主引用文献A cholesterol biosynthesis inhibitor blocks Staphylococcus aureus virulence.
Science, 319, 2008
2ZCO
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BU of 2zco by Molmil
Crystal structure of the C(30) carotenoid dehydrosqualene synthase from Staphylococcus aureus
分子名称: Dehydrosqualene synthase
著者Liu, C.I, Jeng, W.Y, Wang, A.H, Oldfield, E.
登録日2007-11-11
公開日2008-03-11
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (1.58 Å)
主引用文献A cholesterol biosynthesis inhibitor blocks Staphylococcus aureus virulence.
Science, 319, 2008
7LUK
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BU of 7luk by Molmil
CRYSTAL STRUCTURE OF RAR-RELATED ORPHAN RECEPTOR C (NHIS-RORGT(244-487)-L6-SRC1(678-692) IN COMPLEX WITH AN AZATRICYCLIC RORGT INVERSE AGONIST
分子名称: (2S)-N-[(6aS,7R,9aS)-9a-[(4-fluorophenyl)sulfonyl]-3-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-6,6a,7,8,9,9a-hexahydro-5H-cyclopenta[f]quinolin-7-yl]-2-hydroxy-2-methyl-3-(methylsulfonyl)propanamide, Nuclear receptor ROR-gamma
著者Sack, J.S.
登録日2021-02-22
公開日2021-05-12
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.087 Å)
主引用文献Azatricyclic Inverse Agonists of ROR gamma t That Demonstrate Efficacy in Models of Rheumatoid Arthritis and Psoriasis.
Acs Med.Chem.Lett., 12, 2021
2ZCR
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BU of 2zcr by Molmil
Crystal structure of the C(30) carotenoid dehydrosqualene synthase from Staphylococcus aureus complexed with bisphosphonate BPH-698
分子名称: Dehydrosqualene synthase, MAGNESIUM ION, tripotassium (1R)-4-(4'-butylbiphenyl-4-yl)-1-phosphonatobutane-1-sulfonate
著者Liu, C.I, Jeng, W.Y, Wang, A.H, Oldfield, E.
登録日2007-11-11
公開日2008-03-11
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (1.92 Å)
主引用文献A cholesterol biosynthesis inhibitor blocks Staphylococcus aureus virulence.
Science, 319, 2008
3F31
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BU of 3f31 by Molmil
Crystal Structure of the N-terminal region of AlphaII-spectrin Tetramerization Domain
分子名称: Spectrin alpha chain, brain
著者Mehboob, S, Santarsiero, B.D, Long, F, Witek, M, Fung, L.W.
登録日2008-10-30
公開日2009-10-13
最終更新日2023-12-27
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Crystal structure of the nonerythroid alpha-spectrin tetramerization site reveals differences between erythroid and nonerythroid spectrin tetramer formation.
J.Biol.Chem., 285, 2010
4OYD
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BU of 4oyd by Molmil
Crystal structure of a computationally designed inhibitor of an Epstein-Barr viral Bcl-2 protein
分子名称: 1,2-ETHANEDIOL, Apoptosis regulator BHRF1, Computationally designed Inhibitor
著者Shen, B, Procko, E, Baker, D, Stoddard, B.
登録日2014-02-11
公開日2014-07-09
最終更新日2023-12-27
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献A computationally designed inhibitor of an epstein-barr viral bcl-2 protein induces apoptosis in infected cells.
Cell, 157, 2014

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