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6RGS
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BU of 6rgs by Molmil
Crystal Structure of Phenylalanine Ammonia Lyase (PAL) from Petroselinum crispum bound to cinnamate
分子名称: (E)-3-(4-methoxyphenyl)acrylic acid, Phenylalanine ammonia-lyase 1
著者Brem, J, Lang, P, Bencze, C.-L, Schofield, C.
登録日2019-04-17
公開日2019-09-04
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (2.42001033 Å)
主引用文献Mapping the Hydrophobic Substrate Binding Site of Phenylalanine Ammonia Lyase from Petroselinum crispum
Acs Catalysis, 2019
6TH0
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BU of 6th0 by Molmil
Crystal structure of Arabidopsis thaliana NAA60 in complex with acetyl-CoA
分子名称: ACETYL COENZYME *A, Acyl-CoA N-acyltransferases (NAT) superfamily protein
著者Layer, D, Kopp, J, Lapouge, K, Sinning, I.
登録日2019-11-18
公開日2020-06-24
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.75 Å)
主引用文献The Arabidopsis N alpha -acetyltransferase NAA60 locates to the plasma membrane and is vital for the high salt stress response.
New Phytol., 228, 2020
6TI2
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BU of 6ti2 by Molmil
Structure of the Ustilago maydis chorismate mutase 1 in complex with KWL1-b from Zea mays
分子名称: Chromosome 16, whole genome shotgun sequence, Ripening-related protein 3
著者Altegoer, F, Bange, G.
登録日2019-11-21
公開日2020-05-06
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (2.75 Å)
主引用文献The two paralogous kiwellin proteins KWL1 and KWL1-b from maize are structurally related and have overlapping functions in plant defense.
J.Biol.Chem., 295, 2020
4JFV
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BU of 4jfv by Molmil
Crystal structure of a bacterial fucosidase with iminosugar inhibitor (2S,3S,4R,5S)-2-[N-(methylferrocene)]aminoethyl-5-methylpyrrolidine-3,4-diol
分子名称: (3alpha)-[({2-[(2S,3S,4R,5S)-3,4-dihydroxy-5-methylpyrrolidin-2-yl]ethyl}amino)methyl]ferrocene, IMIDAZOLE, SULFATE ION, ...
著者Wright, D.W, Davies, G.J.
登録日2013-02-28
公開日2013-09-18
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.88 Å)
主引用文献alpha-L-fucosidase inhibition by pyrrolidine-ferrocene hybrids: rationalization of ligand-binding properties by structural studies.
Chemistry, 19, 2013
6RX3
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BU of 6rx3 by Molmil
Crystal structure of human syncytin 2 in post-fusion conformation
分子名称: CHLORIDE ION, Syncytin-2
著者Ruigrok, K, Backovic, M, Vaney, M.C, Rey, F.A.
登録日2019-06-07
公開日2019-11-20
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献X-ray Structures of the Post-fusion 6-Helix Bundle of the Human Syncytins and their Functional Implications.
J.Mol.Biol., 431, 2019
6EPK
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BU of 6epk by Molmil
CRYSTAL STRUCTURE OF THE PRECURSOR MEMBRANE PROTEIN-ENVELOPE PROTEIN HETERODIMER FROM THE YELLOW FEVER VIRUS
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Envelope protein E, GLYCEROL, ...
著者Rey, F.A, Duquerroy, S, Crampon, E, Barba-Spaeth, G.
登録日2017-10-11
公開日2018-10-31
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献New insight into flavivirus maturation from structure/function studies of the yellow fever virus envelope protein complex
Mbio, 2023
6SCP
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BU of 6scp by Molmil
Cell Division Protein SepF in complex with C-terminal domain of FtsZ
分子名称: Cell division protein SepF, ZINC ION
著者Sogues, A, Wehenkel, A.M, Alzari, P.M.
登録日2019-07-25
公開日2020-03-11
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Essential dynamic interdependence of FtsZ and SepF for Z-ring and septum formation in Corynebacterium glutamicum.
Nat Commun, 11, 2020
6SAT
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BU of 6sat by Molmil
Cell Division Protein SepF in complex with C-terminal domain of FtsZ
分子名称: Cell division protein FtsZ, Cell division protein SepF
著者Sogues, A, Wehenkel, A.M, Alzari, P.M.
登録日2019-07-17
公開日2020-03-11
最終更新日2024-05-15
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Essential dynamic interdependence of FtsZ and SepF for Z-ring and septum formation in Corynebacterium glutamicum.
Nat Commun, 11, 2020
3QQU
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BU of 3qqu by Molmil
Cocrystal structure of unphosphorylated igf with pyrimidine 8
分子名称: Insulin-like growth factor 1 receptor, N~2~-[3-methoxy-4-(morpholin-4-yl)phenyl]-N~4~-(quinolin-3-yl)pyrimidine-2,4-diamine
著者Huang, X.
登録日2011-02-16
公開日2011-04-20
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (2.9 Å)
主引用文献Discovery of 2,4-bis-arylamino-1,3-pyrimidines as insulin-like growth factor-1 receptor (IGF-1R) inhibitors.
Bioorg.Med.Chem.Lett., 21, 2011
4LX2
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BU of 4lx2 by Molmil
Crystal structure of Myo5a globular tail domain in complex with melanophilin GTBD
分子名称: 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, Melanophilin, Unconventional myosin-Va
著者Pylypenko, O, Attanda, W, Gauquelin, C, Houdusse, A.
登録日2013-07-29
公開日2013-11-20
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Structural basis of myosin V Rab GTPase-dependent cargo recognition.
Proc.Natl.Acad.Sci.USA, 110, 2013
4LX0
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BU of 4lx0 by Molmil
Crystal structure of Myo5b globular tail domain in complex with active Rab11a
分子名称: BERYLLIUM TRIFLUORIDE ION, GLYCEROL, GUANOSINE-5'-DIPHOSPHATE, ...
著者Pylypenko, O, Attanda, W, Gauquelin, C, Houdusse, A.
登録日2013-07-29
公開日2013-11-20
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.19 Å)
主引用文献Structural basis of myosin V Rab GTPase-dependent cargo recognition.
Proc.Natl.Acad.Sci.USA, 110, 2013
4LX1
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BU of 4lx1 by Molmil
Crystal structure of Myo5a globular tail domain
分子名称: 1,2-ETHANEDIOL, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, GLYCEROL, ...
著者Pylypenko, O, Attanda, W, Coulibaly, D, Gauquelin, C, Houdusse, A.
登録日2013-07-29
公開日2013-11-20
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.87 Å)
主引用文献Structural basis of myosin V Rab GTPase-dependent cargo recognition.
Proc.Natl.Acad.Sci.USA, 110, 2013
4XLL
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BU of 4xll by Molmil
Toxoplasma gondii DJ-1, oxidized
分子名称: DJ-1 family protein
著者Child, M.A, Wilson, M.A, Reese, M.L, Bogyo, M.
登録日2015-01-13
公開日2015-02-11
最終更新日2016-07-27
実験手法X-RAY DIFFRACTION (2.08 Å)
主引用文献Toxoplasma DJ-1 regulates microneme exocytosis through an association with the plant-like kinase, CDPK1
To Be Published
6K9R
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BU of 6k9r by Molmil
Crystal Structure Analysis of Endo-beta-1,4-xylanase II Complexed with Xylotriose
分子名称: Endo-1,4-beta-xylanase 2, IODIDE ION, beta-D-xylopyranose-(1-4)-beta-D-xylopyranose-(1-4)-beta-D-xylopyranose
著者Li, C, Wan, Q.
登録日2019-06-17
公開日2020-07-08
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.3 Å)
主引用文献Studying the Role of a Single Mutation of a Family 11 Glycoside Hydrolase Using High-Resolution X-ray Crystallography.
Protein J., 39, 2020
6GZP
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BU of 6gzp by Molmil
Llama nanobody PorM_02 structure determined at room temperature by in-situ diffraction in ChipX microfluidic device
分子名称: Nanobody
著者Roche, J, Gaubert, A, Desmyter, A, De Wijn, R, Sauter, C, Roussel, A.
登録日2018-07-04
公開日2018-07-18
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献A simple and versatile microfluidic device for efficient biomacromolecule crystallization and structural analysis by serial crystallography.
Iucrj, 6, 2019
5EBJ
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BU of 5ebj by Molmil
Joint X-ray/neutron structure of reversibly photoswitching chromogenic protein, Dathail
分子名称: photoswitching chromogenic protein
著者Kovalevsky, A.Y, Langan, P.S, Bradbury, A.R.M.
登録日2015-10-19
公開日2016-04-06
最終更新日2023-11-15
実験手法NEUTRON DIFFRACTION (2.5 Å), X-RAY DIFFRACTION
主引用文献Evolution and characterization of a new reversibly photoswitching chromogenic protein, Dathail.
J.Mol.Biol., 428, 2016
6BBS
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BU of 6bbs by Molmil
Joint X-ray/neutron structure of human carbonic anhydrase II in complex with brinzolamide
分子名称: (+)-4-ETHYLAMINO-3,4-DIHYDRO-2-(METHOXY)PROPYL-2H-THIENO[3,2-E]-1,2-THIAZINE-6-SULFONAMIDE-1,1-DIOXIDE, Carbonic anhydrase 2, ZINC ION
著者Kovalevsky, A, Aggarwal, M, McKenna, R.
登録日2017-10-19
公開日2018-02-28
最終更新日2024-03-13
実験手法NEUTRON DIFFRACTION (2 Å), X-RAY DIFFRACTION
主引用文献"To Be or Not to Be" Protonated: Atomic Details of Human Carbonic Anhydrase-Clinical Drug Complexes by Neutron Crystallography and Simulation.
Structure, 26, 2018
2VS2
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BU of 2vs2 by Molmil
Neutron diffraction structure of endothiapepsin in complex with a gem- diol inhibitor.
分子名称: ENDOTHIAPEPSIN, N~2~-[(2R)-2-benzyl-3-(tert-butylsulfonyl)propanoyl]-N-{(1R)-1-(cyclohexylmethyl)-3,3-difluoro-2,2-dihydroxy-4-[(2-morpholin-4-ylethyl)amino]-4-oxobutyl}-3-(1H-imidazol-3-ium-4-yl)-L-alaninamide
著者Coates, L, Tuan, H.-F, Tomanicek, S, Kovalevsky, A, Mustyakimov, M, Erskine, P, Cooper, J.
登録日2008-04-17
公開日2008-05-27
最終更新日2023-11-15
実験手法NEUTRON DIFFRACTION (2 Å)
主引用文献The Catalytic Mechanism of an Aspartic Proteinase Explored with Neutron and X-Ray Diffraction
J.Am.Chem.Soc., 130, 2008
6HW1
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BU of 6hw1 by Molmil
ROOM TEMPERATURE STRUCTURE OF LIPASE FROM T. LANUGINOSA AT 2.5 A RESOLUTION IN CHIPX MICROFLUIDIC DEVICE
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, Lipase, MAGNESIUM ION, ...
著者Gavira, J.A, Fernadez-Penas, R, Martinez-Rodriguez, S, Verdugo-Escamilla, C.
登録日2018-10-11
公開日2018-10-24
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献A simple and versatile microfluidic device for efficient biomacromolecule crystallization and structural analysis by serial crystallography.
Iucrj, 6, 2019
6BCC
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BU of 6bcc by Molmil
Joint X-ray/neutron structure of human carbonic anhydrase II in complex with ethoxzolamide
分子名称: 6-ethoxy-1,3-benzothiazole-2-sulfonamide, Carbonic anhydrase 2, ZINC ION
著者Kovalevsky, A, McKenna, R, Aggarwal, M.
登録日2017-10-20
公開日2018-02-28
最終更新日2023-10-04
実験手法NEUTRON DIFFRACTION (1.8 Å), X-RAY DIFFRACTION
主引用文献"To Be or Not to Be" Protonated: Atomic Details of Human Carbonic Anhydrase-Clinical Drug Complexes by Neutron Crystallography and Simulation.
Structure, 26, 2018
6BC9
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BU of 6bc9 by Molmil
Joint X-ray/neutron structure of human carbonic anhydrase II in complex with dorzolamide
分子名称: (4S-TRANS)-4-(ETHYLAMINO)-5,6-DIHYDRO-6-METHYL-4H-THIENO(2,3-B)THIOPYRAN-2-SULFONAMIDE-7,7-DIOXIDE, Carbonic anhydrase 2, ZINC ION
著者Kovalevsky, A, McKenna, R, Aggarwal, M.
登録日2017-10-20
公開日2018-02-28
最終更新日2023-10-04
実験手法NEUTRON DIFFRACTION (1.8 Å), X-RAY DIFFRACTION
主引用文献"To Be or Not to Be" Protonated: Atomic Details of Human Carbonic Anhydrase-Clinical Drug Complexes by Neutron Crystallography and Simulation.
Structure, 26, 2018
2QU6
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BU of 2qu6 by Molmil
Crystal structure of the VEGFR2 kinase domain in complex with a benzoxazole inhibitor
分子名称: 4-({2-[(4-chloro-3-{[(2S)-1-methylpyrrolidin-2-yl]methoxy}phenyl)amino]-1,3-benzoxazol-5-yl}oxy)-N-methylpyridine-2-carboxamide, SULFATE ION, Vascular endothelial growth factor receptor 2
著者Whittington, D.A, Kim, J.L, Long, A.M, Rose, P, Gu, Y, Zhao, H.
登録日2007-08-03
公開日2007-09-25
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Design, Synthesis, and Evaluation of Orally Active Benzimidazoles and Benzoxazoles as Vascular Endothelial Growth Factor-2 Receptor Tyrosine Kinase Inhibitors.
J.Med.Chem., 50, 2007
2QU5
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BU of 2qu5 by Molmil
Crystal structure of the VEGFR2 kinase domain in complex with a benzimidazole inhibitor
分子名称: 4-[[2-[[4-chloro-3-(trifluoromethyl)phenyl]amino]-3H-benzimidazol-5-yl]oxy]-N-methyl-pyridine-2-carboxamide, Vascular endothelial growth factor receptor 2
著者Whittington, D.A, Kim, J.L, Long, A.M, Rose, P, Gu, Y, Zhao, H.
登録日2007-08-03
公開日2007-09-25
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (2.95 Å)
主引用文献Design, Synthesis, and Evaluation of Orally Active Benzimidazoles and Benzoxazoles as Vascular Endothelial Growth Factor-2 Receptor Tyrosine Kinase Inhibitors.
J.Med.Chem., 50, 2007
7LB7
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BU of 7lb7 by Molmil
Joint X-ray/neutron structure of SARS-CoV-2 main protease (3CL Mpro) in complex with Telaprevir
分子名称: (1S,3aR,6aS)-2-[(2S)-2-({(2S)-2-cyclohexyl-2-[(pyrazin-2-ylcarbonyl)amino]acetyl}amino)-3,3-dimethylbutanoyl]-N-[(2R,3S)-1-(cyclopropylamino)-2-hydroxy-1-oxohexan-3-yl]octahydrocyclopenta[c]pyrrole-1-carboxamide, 3C-like proteinase
著者Kovalevsky, A.Y, Kneller, D.W, Coates, L.
登録日2021-01-07
公開日2021-01-20
最終更新日2024-04-03
実験手法NEUTRON DIFFRACTION (2 Å), X-RAY DIFFRACTION
主引用文献Direct Observation of Protonation State Modulation in SARS-CoV-2 Main Protease upon Inhibitor Binding with Neutron Crystallography.
J.Med.Chem., 64, 2021
2YK0
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BU of 2yk0 by Molmil
Structure of the N-terminal NTS-DBL1-alpha and CIDR-gamma double domain of the PfEMP1 protein from Plasmodium falciparum varO strain.
分子名称: ERYTHROCYTE MEMBRANE PROTEIN 1, MAGNESIUM ION, SULFATE ION
著者Lewit-Bentley, A, Juillerat, A, Vigan-Womas, I, Guillotte, M, Hessel, A, Raynal, B, Mercereau-Puijalon, O, Bentley, G.A.
登録日2011-05-25
公開日2012-05-30
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Structural Basis for the Abo Blood-Group Dependence of Plasmodium Falciparum Rosetting.
Plos Pathog., 8, 2012

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