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7O0Q
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BU of 7o0q by Molmil
Crystal structure of the human METTL3-METTL14 complex bound to Compound 12 (ADO_AD_066)
分子名称: 3-[4-[(4,4-dimethylpiperidin-1-yl)methyl]phenyl]-8-[6-(methylamino)pyrimidin-4-yl]-1,3,8-triazaspiro[4.5]decan-2-one, ACETATE ION, MAGNESIUM ION, ...
著者Bedi, R.K, Dolbois, A, Caflisch, A.
登録日2021-03-26
公開日2021-09-15
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (2.49 Å)
主引用文献Crystal structure of the human METTL3-METTL14 complex bound to Compound 12 (ADO_AD_066)
To Be Published
7NR9
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BU of 7nr9 by Molmil
Discovery of ASTX029, a clinical candidate which modulates the phosphorylation and catalytic activity of ERK1/2
分子名称: (2~{R})-2-[5-[5-chloranyl-2-(oxan-4-ylamino)pyrimidin-4-yl]-3-oxidanylidene-1~{H}-isoindol-2-yl]-~{N}-[(1~{S})-1-(2-methoxypyridin-4-yl)-2-oxidanyl-ethyl]propanamide, Mitogen-activated protein kinase 1, SULFATE ION
著者O'Reilly, M, Cleasby, A.
登録日2021-03-03
公開日2021-10-06
実験手法X-RAY DIFFRACTION (1.906 Å)
主引用文献Discovery of ASTX029, A Clinical Candidate Which Modulates the Phosphorylation and Catalytic Activity of ERK1/2.
J.Med.Chem., 64, 2021
6WPC
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BU of 6wpc by Molmil
Crystal structure of Bacillus thuringiensis Cry1A.2 tryptic core variant
分子名称: Cry1A.2
著者Rydel, T.J, Evdokimov, A.
登録日2020-04-27
公開日2021-03-17
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.99 Å)
主引用文献Bacillus thuringiensis chimeric proteins Cry1A.2 and Cry1B.2 to control soybean lepidopteran pests: New domain combinations enhance insecticidal spectrum of activity and novel receptor contributions.
Plos One, 16, 2021
7NR8
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BU of 7nr8 by Molmil
Discovery of ASTX029, a clinical candidate which modulates the phosphorylation and catalytic activity of ERK1/2
分子名称: (2~{R})-2-[5-[5-chloranyl-2-(oxan-4-ylamino)pyrimidin-4-yl]-3-oxidanylidene-1~{H}-isoindol-2-yl]-~{N}-[(1~{S})-1-[6-(4-methylpiperazin-1-yl)pyridin-2-yl]-2-oxidanyl-ethyl]propanamide, 1,2-ETHANEDIOL, DIMETHYL SULFOXIDE, ...
著者O'Reilly, M, Cleasby, A.
登録日2021-03-03
公開日2021-10-06
実験手法X-RAY DIFFRACTION (1.627 Å)
主引用文献Discovery of ASTX029, A Clinical Candidate Which Modulates the Phosphorylation and Catalytic Activity of ERK1/2.
J.Med.Chem., 64, 2021
7NR5
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BU of 7nr5 by Molmil
Discovery of ASTX029, a clinical candidate which modulates the phosphorylation and catalytic activity of ERK1/2
分子名称: (2~{R})-2-[5-[5-chloranyl-2-[(2-methyl-1,2,3-triazol-4-yl)amino]pyrimidin-4-yl]-3-oxidanylidene-1~{H}-isoindol-2-yl]-~{N}-[(1~{S})-1-(3-fluoranyl-5-methoxy-phenyl)-2-oxidanyl-ethyl]propanamide, Mitogen-activated protein kinase 1, SULFATE ION
著者O'Reilly, M, Cleasby, A.
登録日2021-03-03
公開日2021-10-06
実験手法X-RAY DIFFRACTION (1.766 Å)
主引用文献Discovery of ASTX029, A Clinical Candidate Which Modulates the Phosphorylation and Catalytic Activity of ERK1/2.
J.Med.Chem., 64, 2021
5FLZ
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BU of 5flz by Molmil
Cryo-EM structure of gamma-TuSC oligomers in a closed conformation
分子名称: SPINDLE POLE BODY COMPONENT 110, SPINDLE POLE BODY COMPONENT SPC97, SPINDLE POLE BODY COMPONENT SPC98, ...
著者Greenberg, C.H, Kollman, J, Zelter, A, Johnson, R, MacCoss, M.J, Davis, T.N, Agard, D.A, Sali, A.
登録日2015-10-29
公開日2016-01-13
最終更新日2024-05-08
実験手法ELECTRON MICROSCOPY (6.9 Å)
主引用文献Structure of Gamma-Tubulin Small Complex Based on a Cryo-Em Map, Chemical Cross-Links, and a Remotely Related Structure.
J.Struct.Biol., 194, 2016
1ML8
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BU of 1ml8 by Molmil
structural genomics
分子名称: hypothetical protein (crp region)
著者Korolev, S, Skarina, T, Joachimiak, A, Edwards, A, Savchenko, A, Midwest Center for Structural Genomics (MCSG)
登録日2002-08-30
公開日2003-04-22
最終更新日2017-10-11
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Structural genomics
To be Published
8WAF
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BU of 8waf by Molmil
Crystal structure of the C-terminal fragment (residues 756-982 with the C864S mutation) of Arabidopsis thaliana CHUP1
分子名称: Protein CHUP1, chloroplastic
著者Shimada, A, Takano, A, Nakamura, Y, Kohda, D.
登録日2023-09-07
公開日2024-01-17
最終更新日2024-04-10
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献CHLOROPLAST UNUSUAL POSITIONING 1 is a plant-specific actin polymerization factor regulating chloroplast movement.
Plant Cell, 36, 2024
8WAG
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BU of 8wag by Molmil
Crystal structure of the C-terminal fragment (residues 716-982) of Arabidopsis thaliana CHUP1
分子名称: Protein CHUP1, chloroplastic
著者Shimada, A, Nakamura, Y, Takano, A, Kohda, D.
登録日2023-09-07
公開日2024-01-17
最終更新日2024-04-10
実験手法X-RAY DIFFRACTION (3.003 Å)
主引用文献CHLOROPLAST UNUSUAL POSITIONING 1 is a plant-specific actin polymerization factor regulating chloroplast movement.
Plant Cell, 36, 2024
5FWO
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BU of 5fwo by Molmil
Llama nanobody PorM_130
分子名称: NANOBODY
著者Leone, P, Roussel, A.
登録日2016-02-18
公開日2017-05-03
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Camelid nanobodies used as crystallization chaperones for different constructs of PorM, a component of the type IX secretion system from Porphyromonas gingivalis.
Acta Crystallogr F Struct Biol Commun, 73, 2017
5FCK
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BU of 5fck by Molmil
COMPLEMENT FACTOR D IN COMPLEX WITH COMPOUND 5
分子名称: 1-[2-[(1~{R},3~{S},5~{R})-3-[[(1~{R})-1-(3-chloranyl-2-fluoranyl-phenyl)ethyl]carbamoyl]-2-azabicyclo[3.1.0]hexan-2-yl]-2-oxidanylidene-ethyl]pyrazolo[3,4-c]pyridine-3-carboxamide, Complement factor D, SULFATE ION
著者Mac Sweeney, A.
登録日2015-12-15
公開日2016-10-26
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.86 Å)
主引用文献Small-molecule factor D inhibitors targeting the alternative complement pathway.
Nat.Chem.Biol., 12, 2016
8WO8
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BU of 8wo8 by Molmil
Crystal Structure of an RNA-binding protein, FAU-1, from Pyrococcus furiosus
分子名称: Probable ribonuclease FAU-1, RNA (5'-R(P*AP*UP*A)-3')
著者Kawai, G, Okada, K, Baba, S, Sato, A, Sakamoto, T, Kanai, A.
登録日2023-10-06
公開日2024-02-14
実験手法X-RAY DIFFRACTION (2.78 Å)
主引用文献Homo-trimeric structure of the ribonuclease for rRNA processing, FAU-1, from Pyrococcus furiosus.
J.Biochem., 2024
8VLB
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BU of 8vlb by Molmil
Crystal structure of EloBC-VHL-CDO1 complex bound to compound 4 molecular glue
分子名称: CITRIC ACID, Cysteine dioxygenase type 1, Elongin-B, ...
著者Shu, W, Ma, X, Tutter, A, Buckley, D, Golosov, A, Michaud, G.
登録日2024-01-11
公開日2024-03-13
実験手法X-RAY DIFFRACTION (2.9 Å)
主引用文献A small molecule VHL molecular glue degrader for cysteine dioxygenase 1
To Be Published
3C7Q
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BU of 3c7q by Molmil
Structure of VEGFR2 kinase domain in complex with BIBF1120
分子名称: SULFATE ION, Vascular endothelial growth factor receptor 2, methyl (3Z)-3-{[(4-{methyl[(4-methylpiperazin-1-yl)acetyl]amino}phenyl)amino](phenyl)methylidene}-2-oxo-2,3-dihydro-1H-indole-6-carboxylate
著者Hilberg, F, Roth, G.J, Krssak, M, Kautschitsch, S, Sommergruber, W, Tontsch-Grunt, U, Garin-Chesa, P, Bader, G, Zoephel, A, Quant, J, Heckel, A, Rettig, W.J.
登録日2008-02-08
公開日2008-12-23
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献BIBF 1120: triple angiokinase inhibitor with sustained receptor blockade and good antitumor efficacy.
Cancer Res., 68, 2008
8VL9
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BU of 8vl9 by Molmil
Crystal structure of EloBC-VHL-CDO1 complex bound to compound 8 molecular glue
分子名称: CITRIC ACID, Cysteine dioxygenase type 1, Elongin-B, ...
著者Shu, W, Ma, X, Tutter, A, Buckley, D, Golosov, A, Michaud, G.
登録日2024-01-11
公開日2024-03-13
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献A small molecule VHL molecular glue degrader for cysteine dioxygenase 1
To Be Published
2R6O
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BU of 2r6o by Molmil
Crystal structure of putative diguanylate cyclase/phosphodiesterase from Thiobacillus denitrificans
分子名称: CHLORIDE ION, MAGNESIUM ION, Putative diguanylate cyclase/phosphodiesterase (GGDEF & EAL domains)
著者Chang, C, Xu, X, Zheng, H, Savchenko, A, Edwards, A.M, Joachimiak, A, Midwest Center for Structural Genomics (MCSG)
登録日2007-09-06
公開日2007-09-18
最終更新日2012-10-24
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Structural insight into the mechanism of c-di-GMP hydrolysis by EAL domain phosphodiesterases.
J.Mol.Biol., 402, 2010
6QUS
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BU of 6qus by Molmil
HsCKK (human CAMSAP1) decorated 13pf taxol-GDP microtubule
分子名称: Calmodulin-regulated spectrin-associated protein 1, GUANOSINE-5'-DIPHOSPHATE, GUANOSINE-5'-TRIPHOSPHATE, ...
著者Atherton, J.M, Luo, Y, Xiang, S, Yang, C, Jiang, K, Stangier, M, Vemu, A, Cook, A, Wang, S, Roll-Mecak, A, Steinmetz, M.O, Akhmanova, A, Baldus, M, Moores, C.A.
登録日2019-02-28
公開日2019-11-27
最終更新日2024-05-15
実験手法ELECTRON MICROSCOPY (3.7 Å)
主引用文献Structural determinants of microtubule minus end preference in CAMSAP CKK domains.
Nat Commun, 10, 2019
2QES
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BU of 2qes by Molmil
Crystal structure of the ribosome inactivating protein PDL4 from P. dioica leaves in complex with adenine
分子名称: ADENINE, Ribosome-inactivating protein PD-L4
著者Ruggiero, A, Berisio, R.
登録日2007-06-26
公開日2008-02-26
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (1.24 Å)
主引用文献Atomic resolution (1.1 A) structure of the ribosome-inactivating protein PD-L4 from Phytolacca dioica L. leaves
Proteins, 71, 2008
5JKI
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BU of 5jki by Molmil
Crystal structure of the first transmembrane PAP2 type phosphatidylglycerolphosphate phosphatase from Bacillus subtilis
分子名称: (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, Putative lipid phosphate phosphatase YodM, TUNGSTATE(VI)ION, ...
著者El Ghachi, M, Howe, N, Lampion, A, Delbrassine, F, Vogeley, L, Caffrey, M, Sauvage, E, Auger, R, Guiseppe, A, Roure, S, Perlier, S, Mengin-lecreulx, D, Foglino, M, Touze, T.
登録日2016-04-26
公開日2017-02-22
最終更新日2017-05-24
実験手法X-RAY DIFFRACTION (2.25 Å)
主引用文献Crystal structure and biochemical characterization of the transmembrane PAP2 type phosphatidylglycerol phosphate phosphatase from Bacillus subtilis.
Cell. Mol. Life Sci., 74, 2017
6R85
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BU of 6r85 by Molmil
Structure of Arabidopsis thaliana GLR3.3 ligand-binding domain in complex with L-glutamate
分子名称: 1,2-ETHANEDIOL, GLUTAMIC ACID, Glutamate receptor 3.3,Glutamate receptor 3.3, ...
著者Alfieri, A, Pederzoli, R, Costa, A.
登録日2019-03-31
公開日2020-01-01
最終更新日2020-01-15
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献The structural bases for agonist diversity in anArabidopsis thalianaglutamate receptor-like channel.
Proc.Natl.Acad.Sci.USA, 117, 2020
5JGP
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BU of 5jgp by Molmil
Crystal structure of the nitrate/nitrite sensor NarQ fragment bound with iodide ions
分子名称: IODIDE ION, NITRATE ION, Nitrate/nitrite sensor protein NarQ
著者Melnikov, I, Polovinkin, V, Popov, A, Gordeliy, V.
登録日2016-04-20
公開日2017-05-31
最終更新日2023-03-08
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献Fast iodide-SAD phasing for high-throughput membrane protein structure determination.
Sci Adv, 3, 2017
5J5R
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BU of 5j5r by Molmil
M. thermoresistible GuaB2 delta-CBS in complex with inhibitor VCC234718
分子名称: INOSINIC ACID, Inosine-5'-monophosphate dehydrogenase,Inosine-5'-monophosphate dehydrogenase, cyclohexyl{4-[(isoquinolin-5-yl)sulfonyl]piperazin-1-yl}methanone
著者Pacitto, A, Ascher, D.B, Blundell, T.L.
登録日2016-04-03
公開日2016-10-19
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献The Inosine Monophosphate Dehydrogenase, GuaB2, Is a Vulnerable New Bactericidal Drug Target for Tuberculosis.
ACS Infect Dis, 3, 2017
6R8A
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BU of 6r8a by Molmil
Structure of Arabidopsis thaliana GLR3.3 ligand-binding domain in complex with L-methionine
分子名称: Glutamate receptor 3.3,Glutamate receptor 3.3, METHIONINE, SODIUM ION, ...
著者Alfieri, A, Pederzoli, R, Costa, A.
登録日2019-04-01
公開日2020-01-01
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (3.1 Å)
主引用文献The structural bases for agonist diversity in anArabidopsis thalianaglutamate receptor-like channel.
Proc.Natl.Acad.Sci.USA, 117, 2020
5JCZ
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BU of 5jcz by Molmil
Rab11 bound to MyoVa-GTD
分子名称: 1,2-ETHANEDIOL, ACETATE ION, BERYLLIUM TRIFLUORIDE ION, ...
著者Pylypenko, O, Attanda, W, Gauquelin, C, Malherbes, G, Houdusse, A.
登録日2016-04-15
公開日2016-09-28
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (2.056 Å)
主引用文献Coordinated recruitment of Spir actin nucleators and myosin V motors to Rab11 vesicle membranes.
Elife, 5, 2016
4EZB
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BU of 4ezb by Molmil
CRYSTAL STRUCTURE OF the Conserved hypothetical protein from Sinorhizobium meliloti 1021
分子名称: uncharacterized conserved protein
著者Malashkevich, V.N, Bhosle, R, Toro, R, Hillerich, B, Gizzi, A, Garforth, S, Kar, A, Chan, M.K, Lafluer, J, Patel, H, Matikainen, B, Chamala, S, Lim, S, Celikgil, A, Villegas, G, Evans, B, Zenchek, W, Love, J, Fiser, A, Khafizov, K, Seidel, R, Bonanno, J.B, Almo, S.C, New York Structural Genomics Research Consortium (NYSGRC)
登録日2012-05-02
公開日2012-05-23
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献CRYSTAL STRUCTURE OF the Conserved hypothetical protein from Sinorhizobium meliloti 1021
To be Published

221051

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