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2I5V
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BU of 2i5v by Molmil
Crystal structure of OspA mutant
分子名称: Outer surface protein A, TETRAETHYLENE GLYCOL
著者Makabe, K, Terechko, V, Koide, S.
登録日2006-08-25
公開日2007-12-25
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (1.1 Å)
主引用文献High-Resolution Structure of a Self-Assembly-Competent Form of a Hydrophobic Peptide Captured in a Soluble β-Sheet Scaffold.
J.Mol.Biol., 378, 2008
6CGS
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BU of 6cgs by Molmil
mouse cadherin-7 EC1-2 adhesive fragment
分子名称: CALCIUM ION, Cadherin-7, GLYCEROL
著者Brasch, J, Harrison, O.J, Kaczynska, A, Shapiro, L.
登録日2018-02-20
公開日2018-05-09
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (1.72 Å)
主引用文献Homophilic and Heterophilic Interactions of Type II Cadherins Identify Specificity Groups Underlying Cell-Adhesive Behavior.
Cell Rep, 23, 2018
7F18
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BU of 7f18 by Molmil
Crystal Structure of a mutant of acid phosphatase from Pseudomonas aeruginosa (Q57H/W58P/D135R)
分子名称: Acid phosphatase
著者Xu, X, Hou, X.D, Song, W, Yin, D.J, Rao, Y.J, Liu, L.M.
登録日2021-06-08
公開日2021-10-27
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (3.3 Å)
主引用文献Local Electric Field Modulated Reactivity of Pseudomonas aeruginosa Acid Phosphatase for Enhancing Phosphorylation of l-Ascorbic Acid
Acs Catalysis, 11, 2021
7F17
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BU of 7f17 by Molmil
Crystal Structure of acid phosphatase
分子名称: Acid phosphatase
著者Xu, X, Hou, X.D, Song, W, Rao, Y.J, Liu, L.M, Wu, J.
登録日2021-06-08
公開日2021-10-27
最終更新日2022-05-11
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Local Electric Field Modulated Reactivity of Pseudomonas aeruginosa Acid Phosphatase for Enhancing Phosphorylation of l-Ascorbic Acid
Acs Catalysis, 11, 2021
4YQM
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BU of 4yqm by Molmil
Glutathione S-transferase Omega 1 bound to covalent inhibitor C1-27
分子名称: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 2-chloro-N-[4-chloro-3-(dimethylsulfamoyl)phenyl]acetamide, Glutathione S-transferase omega-1
著者Stuckey, J.A.
登録日2015-03-13
公開日2016-10-12
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.38 Å)
主引用文献Mechanistic evaluation and transcriptional signature of a glutathione S-transferase omega 1 inhibitor.
Nat Commun, 7, 2016
4YQV
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BU of 4yqv by Molmil
Glutathione S-transferase Omega 1 bound to covalent inhibitor C4-10
分子名称: 2-(ethylsulfanyl)-N-methyl-N-[(1-phenyl-1H-pyrazol-4-yl)methyl]acetamide, Glutathione S-transferase omega-1
著者Stuckey, J.A.
登録日2015-03-13
公開日2016-10-12
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.06 Å)
主引用文献Mechanistic evaluation and transcriptional signature of a glutathione S-transferase omega 1 inhibitor.
Nat Commun, 7, 2016
2I8E
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BU of 2i8e by Molmil
Structure of SSO1404, a predicted DNA repair-associated protein from Sulfolobus solfataricus P2
分子名称: Hypothetical protein, IODIDE ION
著者Wang, S, Zimmerman, M.D, Kudritska, M, Chruszcz, M, Savchenko, A, Edwards, A, Joachimiak, A, Minor, W, Midwest Center for Structural Genomics (MCSG)
登録日2006-09-01
公開日2006-09-26
最終更新日2022-04-13
実験手法X-RAY DIFFRACTION (1.59 Å)
主引用文献A novel family of sequence-specific endoribonucleases associated with the clustered regularly interspaced short palindromic repeats.
J.Biol.Chem., 283, 2008
4ZZ3
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BU of 4zz3 by Molmil
Human GAR transformylase in complex with GAR and pemetrexed
分子名称: GLYCINAMIDE RIBONUCLEOTIDE, N-{4-[2-(2-amino-4-oxo-4,7-dihydro-3H-pyrrolo[2,3-d]pyrimidin-5-yl)ethyl]benzoyl}-L-glutamic acid, Trifunctional purine biosynthetic protein adenosine-3
著者Deis, S.M, Dann III, C.E.
登録日2015-05-22
公開日2015-12-16
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.504 Å)
主引用文献6-Substituted Pyrrolo[2,3-d]pyrimidine Thienoyl Regioisomers as Targeted Antifolates for Folate Receptor alpha and the Proton-Coupled Folate Transporter in Human Tumors.
J.Med.Chem., 58, 2015
4ZZ1
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BU of 4zz1 by Molmil
HUMAN GAR TRANSFORMYLASE IN COMPLEX WITH GAR AND (S)-2-({4-[3-(2-AMINO-4-OXO-4,7-DIHYDRO-3H-PYRROLO[2,3-D]PYRIMIDIN-6-YL)-PROPYL]-THIOPHENE-2-CARBONYL}-AMINO)-PENTANEDIOIC ACID
分子名称: (S)-2-({4-[3-(2-Amino-4-oxo-4,7-dihydro-3H-pyrrolo[2,3-d]pyrimidin-6-yl)-propyl]-thiophene-2-carbonyl}-amino)-pentanedioic acid, GLYCINAMIDE RIBONUCLEOTIDE, Trifunctional purine biosynthetic protein adenosine-3
著者Deis, S.M, Dann III, C.E.
登録日2015-05-22
公開日2015-12-16
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (1.351 Å)
主引用文献6-Substituted Pyrrolo[2,3-d]pyrimidine Thienoyl Regioisomers as Targeted Antifolates for Folate Receptor alpha and the Proton-Coupled Folate Transporter in Human Tumors.
J.Med.Chem., 58, 2015
4ZZ2
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BU of 4zz2 by Molmil
HUMAN GAR TRANSFORMYLASE IN COMPLEX WITH GAR AND (S)-2-({5-[3-(2-AMINO-4-OXO-4,7-DIHYDRO-3H-PYRROLO[2,3-D]PYRIMIDIN-6-YL)-PROPYL]-THIOPHENE-3-CARBONYL}-AMINO)-PENTANEDIOIC ACID
分子名称: (S)-2-({5-[3-(2-Amino-4-oxo-4,7-dihydro-3H-pyrrolo[2,3-d]pyrimidin-6-yl)-propyl]-thiophene-3-carbonyl}-amino)-pentanedioic acid, GLYCINAMIDE RIBONUCLEOTIDE, Trifunctional purine biosynthetic protein adenosine-3
著者Deis, S.M, Dann III, C.E.
登録日2015-05-22
公開日2015-12-16
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (1.451 Å)
主引用文献6-Substituted Pyrrolo[2,3-d]pyrimidine Thienoyl Regioisomers as Targeted Antifolates for Folate Receptor alpha and the Proton-Coupled Folate Transporter in Human Tumors.
J.Med.Chem., 58, 2015
1A4G
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BU of 1a4g by Molmil
INFLUENZA VIRUS B/BEIJING/1/87 NEURAMINIDASE COMPLEXED WITH ZANAMIVIR
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, NEURAMINIDASE, ...
著者Cleasby, A, Singh, O, Skarzynski, T, Wonacott, A.J.
登録日1998-01-29
公開日1999-03-02
最終更新日2023-08-02
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Dihydropyrancarboxamides related to zanamivir: a new series of inhibitors of influenza virus sialidases. 2. Crystallographic and molecular modeling study of complexes of 4-amino-4H-pyran-6-carboxamides and sialidase from influenza virus types A and B.
J.Med.Chem., 41, 1998
5K6D
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BU of 5k6d by Molmil
Structure of FS50 an antagonist of NaV1.5
分子名称: Putative secreted salivary protein
著者Andersen, J.F, Xu, X.
登録日2016-05-24
公開日2016-11-23
実験手法X-RAY DIFFRACTION (1.139 Å)
主引用文献Structure and Function of FS50, a salivary protein from the flea Xenopsylla cheopis that blocks the sodium channel NaV1.5.
Sci Rep, 6, 2016
6J1O
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BU of 6j1o by Molmil
Crystal structure of a SAM-dependent methyltransferase LepI from Aspergillus flavus
分子名称: 5'-DEOXY-5'-METHYLTHIOADENOSINE, O-methyltransferase lepI, S-ADENOSYLMETHIONINE
著者Qiu, S, Wei, C.
登録日2018-12-28
公開日2019-05-01
最終更新日2024-03-27
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Deciphering the regulatory and catalytic mechanisms of an unusual SAM-dependent enzyme.
Signal Transduct Target Ther, 4, 2019
4ZPE
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BU of 4zpe by Molmil
BACE1 in complex with 4-(cyclohexylamino)-1-(3-fluorophenyl)-8-(3-isopropoxybenzyl)-1,3,8-triazaspiro[4.5]dec-3-en-2-one
分子名称: 4-(cyclohexylamino)-1-(3-fluorophenyl)-8-[3-(propan-2-yloxy)benzyl]-1,3,8-triazaspiro[4.5]dec-3-en-2-one, Beta-secretase 1
著者Orth, P.
登録日2015-05-07
公開日2015-08-05
最終更新日2015-10-28
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Methyl-substitution of an iminohydantoin spiropiperidine beta-secretase (BACE-1) inhibitor has a profound effect on its potency.
Bioorg.Med.Chem.Lett., 25, 2015
6J46
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BU of 6j46 by Molmil
LepI-SAH complex structure
分子名称: O-methyltransferase lepI, S-ADENOSYL-L-HOMOCYSTEINE
著者Qiu, S, Wei, C.
登録日2019-01-08
公開日2019-05-01
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (2.621 Å)
主引用文献Deciphering the regulatory and catalytic mechanisms of an unusual SAM-dependent enzyme.
Signal Transduct Target Ther, 4, 2019
4ZPG
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BU of 4zpg by Molmil
BACE1 in complex with 8-benzyl-4-(cyclohexylamino)-1-(3-fluorophenyl)-7-methyl-1,3,8-triazaspiro[4.5]dec-3-en-2-one
分子名称: (5R,7S)-8-benzyl-4-(cyclohexylamino)-1-(3-fluorophenyl)-7-methyl-1,3,8-triazaspiro[4.5]dec-3-en-2-one, Beta-secretase 1
著者Orth, P.
登録日2015-05-07
公開日2015-08-05
最終更新日2015-10-28
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Methyl-substitution of an iminohydantoin spiropiperidine beta-secretase (BACE-1) inhibitor has a profound effect on its potency.
Bioorg.Med.Chem.Lett., 25, 2015
4ZPF
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BU of 4zpf by Molmil
BACE1 in complex with 8-(3-((1-aminopropan-2-yl)oxy)benzyl)-4-(cyclohexylamino)-1-(3-fluorophenyl)-1,3,8-triazaspiro[4.5]dec-3-en-2-one
分子名称: 8-(3-{[(2S)-1-aminopropan-2-yl]oxy}benzyl)-4-(cyclohexylamino)-1-(3-fluorophenyl)-1,3,8-triazaspiro[4.5]dec-3-en-2-one, Beta-secretase 1
著者Orth, P.
登録日2015-05-07
公開日2015-08-05
最終更新日2015-10-28
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Methyl-substitution of an iminohydantoin spiropiperidine beta-secretase (BACE-1) inhibitor has a profound effect on its potency.
Bioorg.Med.Chem.Lett., 25, 2015
3E8R
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BU of 3e8r by Molmil
Crystal structure of catalytic domain of TACE with hydroxamate inhibitor
分子名称: (1R,2S)-N~2~-hydroxy-1-{4-[(2-phenylquinolin-4-yl)methoxy]benzyl}cyclopropane-1,2-dicarboxamide, ADAM 17, CITRIC ACID, ...
著者Orth, P.
登録日2008-08-20
公開日2008-10-21
最終更新日2021-10-20
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Discovery of novel hydroxamates as highly potent tumor necrosis factor-alpha converting enzyme inhibitors. Part II: optimization of the S3' pocket.
Bioorg.Med.Chem.Lett., 18, 2008
3ZD1
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BU of 3zd1 by Molmil
STRUCTURE OF THE TWO C-TERMINAL DOMAINS OF COMPLEMENT FACTOR H RELATED PROTEIN 2
分子名称: 1,2-ETHANEDIOL, COMPLEMENT FACTOR H-RELATED PROTEIN 2
著者Caesar, J.J.E, Goicoechea de Jorge, E, Pickering, M.C, Lea, S.M.
登録日2012-11-23
公開日2013-03-13
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Dimerization of Complement Factor H-Related Proteins Modulates Complement Activation in Vivo.
Proc.Natl.Acad.Sci.USA, 110, 2013
4UVI
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BU of 4uvi by Molmil
Discovery of pyrimidine isoxazoles InhA in complex with compound 23
分子名称: 5-{[(4,6-dimethylpyrimidin-2-yl)sulfanyl]methyl}-N-[(2-methylpyridin-4-yl)methyl]-1,2-oxazole-3-carboxamide, ENOYL-[ACYL-CARRIER-PROTEIN] REDUCTASE [NADH], NICOTINAMIDE-ADENINE-DINUCLEOTIDE
著者Read, J.A, Gingell, H, Madhavapeddi, P, Ghorpade, S, Cowan, S.
登録日2014-08-05
公開日2015-09-30
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (1.73 Å)
主引用文献Hitting the Target in More Than One Way: Novel, Direct Inhibitors of Mycobacterium Tuberculosis Enoyl Acp Reductase
To be Published
6IHU
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BU of 6ihu by Molmil
Crystal structure of bacterial serine phosphatase bearing R161A mutation
分子名称: MAGNESIUM ION, Phosphorylated protein phosphatase
著者Yang, C.-G, yang, T.
登録日2018-10-02
公開日2019-08-07
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.84 Å)
主引用文献Structural Insight into the Mechanism of Staphylococcus aureus Stp1 Phosphatase.
Acs Infect Dis., 5, 2019
4YQU
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BU of 4yqu by Molmil
Glutathione S-transferase Omega 1 bound to covalent inhibitor C1-31
分子名称: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, Glutathione S-transferase omega-1, N-{5-(azepan-1-ylsulfonyl)-2-[(ethylsulfanyl)methoxy]phenyl}acetamide
著者Stuckey, J.A.
登録日2015-03-13
公開日2016-10-12
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (1.94 Å)
主引用文献Mechanistic evaluation and transcriptional signature of a glutathione S-transferase omega 1 inhibitor.
Nat Commun, 7, 2016
6IHV
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BU of 6ihv by Molmil
Crystal structure of bacterial serine phosphatase bearing R161E mutation
分子名称: MAGNESIUM ION, Phosphorylated protein phosphatase
著者Yang, C.-G, yang, T.
登録日2018-10-02
公開日2019-08-07
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Structural Insight into the Mechanism of Staphylococcus aureus Stp1 Phosphatase.
Acs Infect Dis., 5, 2019
6IHR
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BU of 6ihr by Molmil
Crystal structure of bacterial serine phosphatase with His tag
分子名称: MAGNESIUM ION, PHOSPHATE ION, Phosphorylated protein phosphatase
著者Yang, C.-G, yang, T.
登録日2018-10-02
公開日2019-08-07
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.348 Å)
主引用文献Structural Insight into the Mechanism of Staphylococcus aureus Stp1 Phosphatase.
Acs Infect Dis., 5, 2019
6IHS
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BU of 6ihs by Molmil
Crystal structure of bacterial serine phosphatase with His-tag mutation
分子名称: MAGNESIUM ION, Phosphorylated protein phosphatase
著者Yang, C.-G, yang, T.
登録日2018-10-02
公開日2019-08-07
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.4 Å)
主引用文献Structural Insight into the Mechanism of Staphylococcus aureus Stp1 Phosphatase.
Acs Infect Dis., 5, 2019

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