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6R49
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BU of 6r49 by Molmil
Aurora-A in complex with shape-diverse fragment 39
分子名称: (1~{S},10~{S})-12-cyclopropyl-1-oxidanyl-10-propan-2-yl-9,12-diazatricyclo[8.2.1.0^{2,7}]trideca-2(7),3,5-trien-11-one, ADENOSINE-5'-DIPHOSPHATE, Aurora kinase A, ...
著者Bayliss, R, McIntyre, P.J.
登録日2019-03-22
公開日2019-05-08
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (2.209 Å)
主引用文献Construction of a Shape-Diverse Fragment Set: Design, Synthesis and Screen against Aurora-A Kinase.
Chemistry, 25, 2019
6R4C
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Aurora-A in complex with shape-diverse fragment 57
分子名称: ADENOSINE-5'-DIPHOSPHATE, Aurora kinase A, CHLORIDE ION, ...
著者Bayliss, R, McIntyre, P.J.
登録日2019-03-22
公開日2019-05-01
最終更新日2019-07-10
実験手法X-RAY DIFFRACTION (2.04 Å)
主引用文献Construction of a Shape-Diverse Fragment Set: Design, Synthesis and Screen against Aurora-A Kinase.
Chemistry, 25, 2019
6R4B
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BU of 6r4b by Molmil
Aurora-A in complex with shape-diverse fragment 56
分子名称: (6~{S})-6-[2,4-bis(fluoranyl)phenyl]-~{N},~{N},4-trimethyl-2-oxidanylidene-5,6-dihydro-1~{H}-pyrimidine-5-carboxamide, ADENOSINE-5'-DIPHOSPHATE, Aurora kinase A, ...
著者Bayliss, R, McIntyre, P.J.
登録日2019-03-22
公開日2019-05-08
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (2.15 Å)
主引用文献Construction of a Shape-Diverse Fragment Set: Design, Synthesis and Screen against Aurora-A Kinase.
Chemistry, 25, 2019
1ILV
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BU of 1ilv by Molmil
Crystal Structure Analysis of the TM107
分子名称: STATIONARY-PHASE SURVIVAL PROTEIN SURE HOMOLOG
著者Zhang, R, Joachimiak, A, Edwards, A, Savchenko, A, Beasley, S, Evdokimova, E, Midwest Center for Structural Genomics (MCSG)
登録日2001-05-08
公開日2001-10-10
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Structure of Thermotoga maritima stationary phase survival protein SurE: a novel acid phosphatase.
Structure, 9, 2001
1P99
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BU of 1p99 by Molmil
1.7A crystal structure of protein PG110 from Staphylococcus aureus
分子名称: GLYCINE, Hypothetical protein PG110, METHIONINE
著者Zhang, R, Zhou, M, Joachimiak, G, Schneewind, O, Joachimiak, A, Midwest Center for Structural Genomics (MCSG)
登録日2003-05-09
公開日2004-01-20
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献The membrane-associated lipoprotein-9 GmpC from Staphylococcus aureus binds the dipeptide GlyMet via side chain interactions.
Biochemistry, 43, 2004
1L3L
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BU of 1l3l by Molmil
Crystal structure of a bacterial quorum-sensing transcription factor complexed with pheromone and DNA
分子名称: 3-OXO-OCTANOIC ACID (2-OXO-TETRAHYDRO-FURAN-3-YL)-AMIDE, 5'-D(*GP*AP*TP*GP*TP*GP*CP*AP*GP*AP*TP*CP*TP*GP*CP*AP*CP*AP*TP*C)-3', Transcriptional activator protein traR
著者Zhang, R, Pappas, T, Brace, J.L, Miller, P.C, Oulmassov, T, Molyneaux, J.M, Anderson, J.C, Bashkin, J.K, Winans, S.C, Joachimiak, A.
登録日2002-02-27
公開日2002-07-03
最終更新日2024-10-09
実験手法X-RAY DIFFRACTION (1.66 Å)
主引用文献Structure of a bacterial quorum-sensing transcription factor complexed with pheromone and DNA.
Nature, 417, 2002
1YWQ
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BU of 1ywq by Molmil
Crystal structure of a nitroreductase family protein from Bacillus cereus ATCC 14579
分子名称: FLAVIN MONONUCLEOTIDE, Nitroreductase family protein
著者Midwest Center for Structural Genomics (MCSG)
登録日2005-02-18
公開日2005-04-12
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Crystal structure of a nitroreductase family protein from Bacillus cereus ATCC 14579
To be Published
3LMB
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BU of 3lmb by Molmil
The crystal structure of the protein OLEI01261 with unknown function from Chlorobaculum tepidum TLS
分子名称: Uncharacterized protein
著者Zhang, R, Evdokimova, E, Egorova, O, Savchenko, A, Edwards, A, Joachimiak, A, Midwest Center for Structural Genomics (MCSG)
登録日2010-01-29
公開日2010-03-16
最終更新日2013-08-07
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Genome sequence and functional genomic analysis of the oil-degrading bacterium Oleispira antarctica.
Nat Commun, 4, 2013
3G9K
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BU of 3g9k by Molmil
Crystal structure of Bacillus anthracis transpeptidase enzyme CapD
分子名称: Capsule biosynthesis protein capD, GLUTAMIC ACID
著者Zhang, R, Wu, R, Richter, S, Anderson, V.J, Missiakas, D, Joachimiak, A.
登録日2009-02-13
公開日2009-06-16
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.79 Å)
主引用文献Crystal Structure of Bacillus anthracis Transpeptidase Enzyme CapD.
J.Biol.Chem., 284, 2009
3GA9
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BU of 3ga9 by Molmil
Crystal structure of Bacillus anthracis transpeptidase enzyme CapD, crystal form II
分子名称: Capsule biosynthesis protein capD, GLUTAMIC ACID
著者Zhang, R, Wu, R, Richter, S, Anderson, V.J, Missiakas, D, Joachimiak, A.
登録日2009-02-16
公開日2009-06-16
最終更新日2018-01-24
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Crystal Structure of Bacillus anthracis Transpeptidase Enzyme CapD.
J.Biol.Chem., 284, 2009
3SWJ
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BU of 3swj by Molmil
Crystal structure of Campylobacter jejuni ChuZ
分子名称: AZIDE ION, PROTOPORPHYRIN IX CONTAINING FE, Putative uncharacterized protein
著者Hu, Y.
登録日2011-07-14
公開日2011-11-09
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (2.409 Å)
主引用文献Crystal structure of Campylobacter jejuni ChuZ: a split-barrel family heme oxygenase with a novel heme-binding mode.
Biochem.Biophys.Res.Commun., 415, 2011
3NRV
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BU of 3nrv by Molmil
Crystal structure of MarR/EmrR family transcriptional regulator from Acinetobacter sp. ADP1
分子名称: GLYCEROL, Putative transcriptional regulator (MarR/EmrR family), SODIUM ION, ...
著者Zhang, R, Wu, R, Joachimiak, A, Midwest Center for Structural Genomics (MCSG)
登録日2010-06-30
公開日2010-09-15
最終更新日2023-12-27
実験手法X-RAY DIFFRACTION (2.001 Å)
主引用文献Crystal structure of MarR/EmrR family transcriptional regulator from Acinetobacter sp. ADP1
To be Published
8I7X
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BU of 8i7x by Molmil
Crystal structure of human ClpP in complex with ZG36
分子名称: (6S,9aS)-N-[(4-bromophenyl)methyl]-6-[(2S)-butan-2-yl]-8-[(4-methoxynaphthalen-1-yl)methyl]-4,7-bis(oxidanylidene)-3,6,9,9a-tetrahydro-2H-pyrazino[1,2-a]pyrimidine-1-carboxamide, ATP-dependent Clp protease proteolytic subunit, mitochondrial
著者Wang, P.Y, Gan, J.H, Yang, C.-G.
登録日2023-02-02
公開日2023-07-19
最終更新日2024-05-29
実験手法X-RAY DIFFRACTION (1.99 Å)
主引用文献Assessment of the structure-activity relationship and antileukemic activity of diacylpyramide compounds as human ClpP agonists.
Eur.J.Med.Chem., 258, 2023
7CBQ
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BU of 7cbq by Molmil
Crystal structure of PDE4D catalytic domain in complex with Apremilast
分子名称: 1,2-ETHANEDIOL, MAGNESIUM ION, N-{2-[(1S)-1-(3-ethoxy-4-methoxyphenyl)-2-(methylsulfonyl)ethyl]-1,3-dioxo-2,3-dihydro-1H-isoindol-4-yl}acetamide, ...
著者Zhang, X.L, Xu, Y.C.
登録日2020-06-13
公開日2021-01-27
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.59 Å)
主引用文献Design, synthesis, and biological evaluation of tetrahydroisoquinolines derivatives as novel, selective PDE4 inhibitors for antipsoriasis treatment.
Eur.J.Med.Chem., 211, 2021
7CBJ
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BU of 7cbj by Molmil
Crystal structure of PDE4D catalytic domain in complex with compound 36
分子名称: (1S)-1-[(7-chloranyl-1H-indol-3-yl)methyl]-6,7-dimethoxy-3,4-dihydro-1H-isoquinoline-2-carbaldehyde, 1,2-ETHANEDIOL, MAGNESIUM ION, ...
著者Zhang, X.L, Xu, Y.C.
登録日2020-06-12
公開日2021-06-16
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Design, synthesis, and biological evaluation of tetrahydroisoquinolines derivatives as novel, selective PDE4 inhibitors for antipsoriasis treatment.
Eur.J.Med.Chem., 211, 2021
7EAU
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BU of 7eau by Molmil
SIB1, an effector of Colletotrichum orbiculare
分子名称: SIN1
著者Mori, M, Ohki, S, Kurita, J.
登録日2021-03-08
公開日2021-11-03
最終更新日2023-06-14
実験手法SOLUTION NMR
主引用文献Fungal effector SIB1 of Colletotrichum orbiculare has unique structural features and can suppress plant immunity in Nicotiana benthamiana.
J.Biol.Chem., 297, 2021
7VEG
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BU of 7veg by Molmil
Understanding NH-pi interaction between Gln and Phe
分子名称: peptide, ACETYLAMINO-ACETIC ACID
著者Fan, S, Xu, F.
登録日2021-09-08
公開日2022-10-19
最終更新日2024-10-09
実験手法X-RAY DIFFRACTION (1.39 Å)
主引用文献Structural Achievability of an NH-pi Interaction between Gln and Phe in a Crystal Structure of a Collagen-like Peptide.
Biomolecules, 12, 2022
2RG5
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BU of 2rg5 by Molmil
Phenylalanine pyrrolotriazine p38 alpha map kinase inhibitor compound 11B
分子名称: Mitogen-activated protein kinase 14, N-ethyl-4-{[5-(methoxycarbamoyl)-2-methylphenyl]amino}-5-methylpyrrolo[2,1-f][1,2,4]triazine-6-carboxamide
著者Sack, J.S.
登録日2007-10-02
公開日2008-01-15
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Design, Synthesis, and Anti-inflammatory Properties of Orally Active 4-(Phenylamino)-pyrrolo[2,1-f][1,2,4]triazine p38alpha Mitogen-Activated Protein Kinase Inhibitors
J.Med.Chem., 51, 2008
6JRK
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BU of 6jrk by Molmil
The structure of co-crystals of 8r-B-EGFR WT complex
分子名称: 6-(2-chloranyl-3-fluoranyl-phenyl)-5-methyl-2-[[3-methyl-4-(4-methylpiperazin-1-yl)phenyl]amino]-8-[(3S)-1-propanoylpiperidin-3-yl]pyrido[2,3-d]pyrimidin-7-one, Epidermal growth factor receptor
著者Zhu, S.J, Yun, C.H.
登録日2019-04-04
公開日2020-04-15
最終更新日2024-03-27
実験手法X-RAY DIFFRACTION (2.796 Å)
主引用文献Structure-Based Design of 5-Methylpyrimidopyridone Derivatives as New Wild-Type Sparing Inhibitors of the Epidermal Growth Factor Receptor Triple Mutant (EGFRL858R/T790M/C797S).
J.Med.Chem., 62, 2019
6JRJ
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BU of 6jrj by Molmil
The structure of co-crystals of 8r-B-EGFR T790M/C797S complex
分子名称: 6-(2-chloranyl-3-fluoranyl-phenyl)-5-methyl-2-[[3-methyl-4-(4-methylpiperazin-1-yl)phenyl]amino]-8-[(3S)-1-propanoylpiperidin-3-yl]pyrido[2,3-d]pyrimidin-7-one, Epidermal growth factor receptor
著者Zhu, S.J, Yun, C.H.
登録日2019-04-04
公開日2020-04-15
最終更新日2024-03-27
実験手法X-RAY DIFFRACTION (2.943 Å)
主引用文献Structure-Based Design of 5-Methylpyrimidopyridone Derivatives as New Wild-Type Sparing Inhibitors of the Epidermal Growth Factor Receptor Triple Mutant (EGFRL858R/T790M/C797S).
J.Med.Chem., 62, 2019
3KDU
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BU of 3kdu by Molmil
Crystal structure of peroxisome proliferator-activatedeceptor alpha (PPARalpha) complex with N-3-((2-(4-Chlorophenyl)-5-methyl-1,3-oxazol-4-yl)methoxy)benzyl)-N-((4-methylphenoxy)carbonyl)glycine
分子名称: N-(3-{[2-(4-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methoxy}benzyl)-N-[(4-methylphenoxy)carbonyl]glycine, Peroxisome proliferator-activated receptor alpha
著者Muckelbauer, J.K.
登録日2009-10-23
公開日2010-04-28
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (2.07 Å)
主引用文献Discovery of an oxybenzylglycine based peroxisome proliferator activated receptor alpha selective agonist 2-((3-((2-(4-chlorophenyl)-5-methyloxazol-4-yl)methoxy)benzyl)(methoxycarbonyl)amino)acetic acid (BMS-687453).
J.Med.Chem., 53, 2010
3KDT
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BU of 3kdt by Molmil
Crystal structure of peroxisome proliferator-activatedeceptor alpha (PPARalpha) complex with N-3-((2-(4-Chlorophenyl)-5-methyl-1,3-oxazol-4-yl)methoxy)benzyl)-N-(methoxycarbonyl)glycine
分子名称: N-(3-{[2-(4-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methoxy}benzyl)-N-(methoxycarbonyl)glycine, Peroxisome proliferator-activated receptor alpha
著者Muckelbauer, J.K.
登録日2009-10-23
公開日2010-04-28
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献Discovery of an oxybenzylglycine based peroxisome proliferator activated receptor alpha selective agonist 2-((3-((2-(4-chlorophenyl)-5-methyloxazol-4-yl)methoxy)benzyl)(methoxycarbonyl)amino)acetic acid (BMS-687453).
J.Med.Chem., 53, 2010
5H65
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BU of 5h65 by Molmil
Crystal structure of human POT1 and TPP1
分子名称: Adrenocortical dysplasia protein homolog, Protection of telomeres protein 1, ZINC ION
著者Chen, C, Wu, J, Lei, M.
登録日2016-11-10
公開日2017-05-31
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Structural insights into POT1-TPP1 interaction and POT1 C-terminal mutations in human cancer.
Nat Commun, 8, 2017
5ZYS
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BU of 5zys by Molmil
Structure of Nephrin/MAGI1 complex
分子名称: Membrane-associated guanylate kinase, WW and PDZ domain-containing protein 1, Nephrin
著者Weng, Z.F, Shng, Y, Zhu, J.W, Zhang, R.G.
登録日2018-05-28
公開日2019-01-23
最終更新日2024-03-27
実験手法X-RAY DIFFRACTION (1.78 Å)
主引用文献Structural Basis of Highly Specific Interaction between Nephrin and MAGI1 in Slit Diaphragm Assembly and Signaling.
J. Am. Soc. Nephrol., 29, 2018
6A68
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the crystal structure of rat calcium-dependent activator protein for secretion (CAPS) DAMH domain
分子名称: Calcium-dependent secretion activator 1, POTASSIUM ION
著者Zhou, H, Wei, Z.Q, Yao, D.Q, Zhang, R.G, Ma, C.
登録日2018-06-26
公開日2019-03-13
最終更新日2019-11-20
実験手法X-RAY DIFFRACTION (2.901 Å)
主引用文献Structural and Functional Analysis of the CAPS SNARE-Binding Domain Required for SNARE Complex Formation and Exocytosis.
Cell Rep, 26, 2019

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