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5DIQ
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BU of 5diq by Molmil
Crystal structure of human FPPS in complex with salicylic acid derivative 3a
分子名称: 2-(naphthalen-1-ylmethoxy)benzoic acid, Farnesyl pyrophosphate synthase, GLYCEROL, ...
著者Rondeau, J.M, Bourgier, E, Lehmann, S.
登録日2015-09-01
公開日2015-09-30
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Discovery of Novel Allosteric Non-Bisphosphonate Inhibitors of Farnesyl Pyrophosphate Synthase by Integrated Lead Finding.
Chemmedchem, 10, 2015
5DJP
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BU of 5djp by Molmil
Crystal structure of human FPPS in complex with biaryl compound 5
分子名称: 4-(naphthalen-1-yl)-1H-indole-2-carboxylic acid, Farnesyl pyrophosphate synthase, PHOSPHATE ION
著者Rondeau, J.M, Bourgier, E, Lehmann, S.
登録日2015-09-02
公開日2015-09-30
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Discovery of Novel Allosteric Non-Bisphosphonate Inhibitors of Farnesyl Pyrophosphate Synthase by Integrated Lead Finding.
Chemmedchem, 10, 2015
5DJV
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BU of 5djv by Molmil
Crystal structure of human FPPS in complex with biaryl compound 8e
分子名称: 8-(naphthalen-1-yl)-6-(1H-pyrrol-2-yl)quinoline-2-carboxylic acid, Farnesyl pyrophosphate synthase
著者Rondeau, J.M, Bourgier, E, Lehmann, S.
登録日2015-09-02
公開日2015-10-07
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Discovery of Novel Allosteric Non-Bisphosphonate Inhibitors of Farnesyl Pyrophosphate Synthase by Integrated Lead Finding.
Chemmedchem, 10, 2015
5DJR
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BU of 5djr by Molmil
Crystal structure of human FPPS in complex with biaryl compound 6
分子名称: 1H,1'H-4,4'-biindole-2-carboxylic acid, Farnesyl pyrophosphate synthase, GLYCEROL, ...
著者Rondeau, J.M, Bourgier, E, Lehmann, S.
登録日2015-09-02
公開日2015-09-30
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Discovery of Novel Allosteric Non-Bisphosphonate Inhibitors of Farnesyl Pyrophosphate Synthase by Integrated Lead Finding.
Chemmedchem, 10, 2015
3OCU
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BU of 3ocu by Molmil
Structure of Recombinant Haemophilus Influenzae e(P4) Acid Phosphatase mutant D66N complexed with NMN
分子名称: BETA-NICOTINAMIDE RIBOSE MONOPHOSPHATE, Lipoprotein E, MAGNESIUM ION
著者Singh, H, Schuermann, J, Reilly, T, Calcutt, M, Tanner, J.
登録日2010-08-10
公開日2010-10-20
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (1.35 Å)
主引用文献Recognition of nucleoside monophosphate substrates by Haemophilus influenzae class C acid phosphatase.
J.Mol.Biol., 404, 2010
5AH4
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BU of 5ah4 by Molmil
The sliding clamp of Mycobacterium smegmatis in complex with a natural product.
分子名称: CYCLOHEXYL GRISELIMYCIN, DNA POLYMERASE III SUBUNIT BETA, SODIUM ION
著者Lukat, P, Kling, A, Heinz, D.W, Mueller, R.
登録日2015-02-04
公開日2015-06-03
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (2.313 Å)
主引用文献Antibiotics. Targeting Dnan for Tuberculosis Therapy Using Novel Griselimycins.
Science, 348, 2015
3ONJ
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BU of 3onj by Molmil
Crystal structure of yeast Vti1p_Habc domain
分子名称: t-SNARE VTI1
著者Wang, J, Fang, P, Niu, L, Teng, M.
登録日2010-08-29
公開日2011-07-20
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (1.92 Å)
主引用文献Epsin N-terminal homology domains bind on opposite sides of two SNAREs
Proc.Natl.Acad.Sci.USA, 108, 2011
6RGV
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BU of 6rgv by Molmil
Truncated FljB phase 2 flagellin
分子名称: Flagellin
著者Lunelli, M, Lokareddy, R.K, Kolbe, M.
登録日2019-04-17
公開日2020-03-11
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Methylation of Salmonella Typhimurium flagella promotes bacterial adhesion and host cell invasion.
Nat Commun, 11, 2020
5AGU
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BU of 5agu by Molmil
The sliding clamp of Mycobacterium tuberculosis in complex with a natural product.
分子名称: (R,R)-2,3-BUTANEDIOL, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, DNA POLYMERASE III SUBUNIT BETA, ...
著者Lukat, P, Kling, A, Heinz, D.W, Mueller, R.
登録日2015-02-03
公開日2015-06-03
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (2.173 Å)
主引用文献Antibiotics. Targeting Dnan for Tuberculosis Therapy Using Novel Griselimycins.
Science, 348, 2015
5D6P
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BU of 5d6p 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-(hydroxymethyl)-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 (2.05 Å)
主引用文献Discovery of Azaindole Ureas as a Novel Class of Bacterial Gyrase B Inhibitors.
J.Med.Chem., 58, 2015
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
5DGN
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BU of 5dgn by Molmil
Crystal structure of human FPPS in complex with compound 13
分子名称: 8-(naphthalen-1-yl)quinoline-2-carboxylic acid, Farnesyl pyrophosphate synthase
著者Rondeau, J.M, Bourgier, E, Lehmann, S.
登録日2015-08-28
公開日2015-09-30
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (2.08 Å)
主引用文献Discovery of Novel Allosteric Non-Bisphosphonate Inhibitors of Farnesyl Pyrophosphate Synthase by Integrated Lead Finding.
Chemmedchem, 10, 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
3ONL
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BU of 3onl by Molmil
yeast Ent3_ENTH-Vti1p_Habc complex structure
分子名称: Epsin-3, t-SNARE VTI1
著者Wang, J, Fang, P, Niu, L, Teng, M.
登録日2010-08-29
公開日2011-07-20
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Epsin N-terminal homology domains bind on opposite sides of two SNAREs
Proc.Natl.Acad.Sci.USA, 108, 2011
3ONK
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BU of 3onk by Molmil
yeast Ent3_ENTH domain
分子名称: Epsin-3
著者Wang, J, Fang, P, Niu, L, Teng, M.
登録日2010-08-29
公開日2011-07-20
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (2.09 Å)
主引用文献Epsin N-terminal homology domains bind on opposite sides of two SNAREs
Proc.Natl.Acad.Sci.USA, 108, 2011
1K5G
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BU of 1k5g by Molmil
Crystal structure of Ran-GDP-AlFx-RanBP1-RanGAP complex
分子名称: ALUMINUM FLUORIDE, GTP-binding nuclear protein RAN, GUANOSINE-5'-DIPHOSPHATE, ...
著者Seewald, M.J, Koerner, C, Wittinghofer, A, Vetter, I.R.
登録日2001-10-10
公開日2002-02-13
最終更新日2023-08-16
実験手法X-RAY DIFFRACTION (3.1 Å)
主引用文献RanGAP mediates GTP hydrolysis without an arginine finger.
Nature, 415, 2002
1K5D
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BU of 1k5d by Molmil
Crystal structure of Ran-GPPNHP-RanBP1-RanGAP complex
分子名称: GTP-binding nuclear protein RAN, MAGNESIUM ION, PHOSPHOAMINOPHOSPHONIC ACID-GUANYLATE ESTER, ...
著者Seewald, M.J, Koerner, C, Wittinghofer, A, Vetter, I.R.
登録日2001-10-10
公開日2002-02-13
最終更新日2023-08-16
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献RanGAP mediates GTP hydrolysis without an arginine finger.
Nature, 415, 2002
1ZEL
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BU of 1zel by Molmil
Crystal structure of RV2827C protein from Mycobacterium tuberculosis
分子名称: (4S)-2-METHYL-2,4-PENTANEDIOL, ACETATE ION, FORMIC ACID, ...
著者Janowski, R, Panjikar, S, Mueller-dieckmann, J, Weiss, M.S, TB Structural Genomics Consortium (TBSGC)
登録日2005-04-19
公開日2006-05-02
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (1.93 Å)
主引用文献Structural analysis reveals DNA binding properties of Rv2827c, a hypothetical protein from Mycobacterium tuberculosis.
J Struct Funct Genomics, 10, 2009
3OCZ
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BU of 3ocz by Molmil
Structure of Recombinant Haemophilus influenzae e(P4) Acid Phosphatase Complexed with the inhibitor adenosine 5-O-thiomonophosphate
分子名称: ADENOSINE -5'-THIO-MONOPHOSPHATE, Lipoprotein E, MAGNESIUM ION
著者Singh, H, Schuermann, J, Reilly, T, Calcutt, M, Tanner, J.
登録日2010-08-10
公開日2011-07-20
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (1.35 Å)
主引用文献Structural basis of the inhibition of class C acid phosphatases by adenosine 5'-phosphorothioate.
Febs J., 278, 2011
3K8S
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BU of 3k8s by Molmil
Crystal Structure of PPARg in complex with T2384
分子名称: 2-chloro-N-{3-chloro-4-[(5-chloro-1,3-benzothiazol-2-yl)sulfanyl]phenyl}-4-(trifluoromethyl)benzenesulfonamide, Peroxisome proliferator-activated receptor gamma
著者Wang, Z.
登録日2009-10-14
公開日2009-11-03
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (2.55 Å)
主引用文献T2384, a novel antidiabetic agent with unique peroxisome proliferator-activated receptor gamma binding properties
J.Biol.Chem., 283, 2008
6XKQ
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BU of 6xkq by Molmil
Crystal structure of SARS-CoV-2 receptor binding domain in complex with neutralizing antibody CV07-250
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, CV07-250 Heavy Chain, CV07-250 Light Chain, ...
著者Yuan, M, Liu, H, Zhu, X, Wu, N.C, Wilson, I.A.
登録日2020-06-26
公開日2020-10-14
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.55 Å)
主引用文献A Therapeutic Non-self-reactive SARS-CoV-2 Antibody Protects from Lung Pathology in a COVID-19 Hamster Model.
Cell, 183, 2020
6XKP
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BU of 6xkp by Molmil
Crystal structure of SARS-CoV-2 receptor binding domain in complex with neutralizing antibody CV07-270
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, CV07-270 Heavy Chain, CV07-270 Light Chain, ...
著者Liu, H, Yuan, M, Zhu, X, Wu, N.C, Wilson, I.A.
登録日2020-06-26
公開日2020-10-14
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.72 Å)
主引用文献A Therapeutic Non-self-reactive SARS-CoV-2 Antibody Protects from Lung Pathology in a COVID-19 Hamster Model.
Cell, 183, 2020
3IQU
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BU of 3iqu by Molmil
Crystal Structure of human 14-3-3 sigma in Complex with Raf1 peptide (6mer)
分子名称: 14-3-3 protein sigma, 6-mer from RAF proto-oncogene serine/threonine-protein kinase, CHLORIDE ION, ...
著者Ottmann, C, Weyand, M.
登録日2009-08-21
公開日2010-09-01
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.05 Å)
主引用文献Impaired binding of 14-3-3 to C-RAF in Noonan syndrome suggests new approaches in diseases with increased Ras signaling.
Mol.Cell.Biol., 30, 2010
5JG0
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BU of 5jg0 by Molmil
Staphylococcus aureus Dihydrofolate Reductase complexed with beta-NADPH and UCP1191
分子名称: 4-{6-[(2S)-4-(2,4-diamino-6-ethylpyrimidin-5-yl)but-3-yn-2-yl]-2H-1,3-benzodioxol-4-yl}benzoic acid, Dihydrofolate reductase, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE
著者Anderson, A.C, Reeve, S.M.
登録日2016-04-19
公開日2017-04-19
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (1.879 Å)
主引用文献MRSA Isolates from United States Hospitals Carry dfrG and dfrK Resistance Genes and Succumb to Propargyl-Linked Antifolates.
Cell Chem Biol, 23, 2016
3IQJ
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BU of 3iqj by Molmil
Crystal Structure of human 14-3-3 sigma in Complex with Raf1 peptide (10mer)
分子名称: 10-mer peptide from RAF proto-oncogene serine/threonine-protein kinase, 14-3-3 protein sigma, CHLORIDE ION, ...
著者Ottmann, C, Weyand, M.
登録日2009-08-20
公開日2010-09-01
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.15 Å)
主引用文献Impaired binding of 14-3-3 to C-RAF in Noonan syndrome suggests new approaches in diseases with increased Ras signaling.
Mol.Cell.Biol., 30, 2010

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