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2YBY
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BU of 2yby by Molmil
Structure of domains 6 and 7 of the mouse complement regulator Factor H
分子名称: 1,2-ETHANEDIOL, COMPLEMENT FACTOR H
著者Everett, R.J, Caesar, J.J.E, Johnson, S.J, Tang, C.M, Lea, S.M.
登録日2011-03-30
公開日2012-04-18
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (1.58 Å)
主引用文献Design and Evaluation of Meningococcal Vaccines Through Structure-Based Modification of Host and Pathogen Molecules.
Plos Pathog., 8, 2012
4QQJ
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BU of 4qqj by Molmil
Crystal Structure of FGF Receptor (FGFR) 4 Kinase Domain Harboring the V550L Gate-Keeper Mutation
分子名称: Fibroblast growth factor receptor 4, SULFATE ION
著者Huang, Z, Mohammadi, M.
登録日2014-06-27
公開日2014-10-29
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.682 Å)
主引用文献DFG-out Mode of Inhibition by an Irreversible Type-1 Inhibitor Capable of Overcoming Gate-Keeper Mutations in FGF Receptors.
Acs Chem.Biol., 10, 2015
4QQT
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BU of 4qqt by Molmil
Crystal Structure of FGF Receptor (FGFR) 4 Tyrosine Kinase Domain
分子名称: Fibroblast growth factor receptor 4, SULFATE ION
著者Huang, Z, Mohammadi, M.
登録日2014-06-29
公開日2014-10-29
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.501 Å)
主引用文献DFG-out Mode of Inhibition by an Irreversible Type-1 Inhibitor Capable of Overcoming Gate-Keeper Mutations in FGF Receptors.
Acs Chem.Biol., 10, 2015
4QRC
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BU of 4qrc by Molmil
Crystal Structure of the Tyrosine Kinase Domain of FGF Receptor 4 in Complex with Ponatinib
分子名称: 3-(imidazo[1,2-b]pyridazin-3-ylethynyl)-4-methyl-N-{4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl}benzam ide, Fibroblast growth factor receptor 4, SULFATE ION
著者Huang, Z, Mohammadi, M.
登録日2014-06-30
公開日2014-10-29
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.901 Å)
主引用文献DFG-out Mode of Inhibition by an Irreversible Type-1 Inhibitor Capable of Overcoming Gate-Keeper Mutations in FGF Receptors.
Acs Chem.Biol., 10, 2015
5EK5
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BU of 5ek5 by Molmil
STRUCTURAL CHARACTERIZATION OF IRMA FROM ESCHERICHIA COLI
分子名称: 1,2-ETHANEDIOL, CHLORIDE ION, FORMIC ACID, ...
著者Heras, B, Moriel, D.G, Paxman, J.J, Schembri, M.A.
登録日2015-11-03
公開日2016-03-09
最終更新日2016-07-13
実験手法X-RAY DIFFRACTION (2.26 Å)
主引用文献Molecular and Structural Characterization of a Novel Escherichia coli Interleukin Receptor Mimic Protein.
Mbio, 7, 2016
8F9Y
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BU of 8f9y by Molmil
SAL1 from Arabidopsis thaliana
分子名称: MAGNESIUM ION, PHOSPHATE ION, SAL1 phosphatase
著者Frkic, R.L, Kaczmarski, J.A, Tan, L, Jackson, C.J.
登録日2022-11-24
公開日2023-01-18
最終更新日2024-05-22
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Sensing and signaling of oxidative stress in chloroplasts by inactivation of the SAL1 phosphoadenosine phosphatase.
Proc.Natl.Acad.Sci.USA, 113, 2016
7E4Z
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BU of 7e4z by Molmil
Crystal structure of tubulin in complex with Maytansinol
分子名称: (1R,2S,3S,5S,6S,16E,18E,20R,21S)-11-chloro-6,21-dihydroxy-12,20-dimethoxy-2,5,9,16-tetramethyl-4,24-dioxa-9,22-diazatetracyclo[19.3.1.1~10,14~.0~3,5~]hexacosa-10(26),11,13,16,18-pentaene-8,23-dione, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CALCIUM ION, ...
著者Wang, Y, Li, W.
登録日2021-02-16
公開日2021-07-07
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.69 Å)
主引用文献C3 ester side chain plays a pivotal role in the antitumor activity of Maytansinoids.
Biochem.Biophys.Res.Commun., 566, 2021
7E4Q
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BU of 7e4q by Molmil
Crystal structure of tubulin in complex with L-DM1-SMe
分子名称: (1S,2R,3R,5R,6R,16E,18E,20R,21S)-11-chloro-21-hydroxy-12,20-dimethoxy-2,5,9,16-tetramethyl-8,23-dioxo-4,24-dioxa-9,22-diazatetracyclo[19.3.1.1~10,14~.0~3,5~]hexacosa-10(26),11,13,16,18-pentaen-6-yl (2S)-2-{methyl[3-(methyldisulfanyl)propanoyl]amino}propanoate (non-preferred name), 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CALCIUM ION, ...
著者Wang, Y, Li, W.
登録日2021-02-14
公開日2021-07-07
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.501 Å)
主引用文献C3 ester side chain plays a pivotal role in the antitumor activity of Maytansinoids.
Biochem.Biophys.Res.Commun., 566, 2021
7E4R
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BU of 7e4r by Molmil
Crystal structure of tubulin in complex with D-DM1-SMe
分子名称: (10E,12E)-86-chloro-14-hydroxy-85,14-dimethoxy-33,2,7,10-tetramethyl-12,6-dioxo-7-aza-1(6,4)-oxazinana-3(2,3)-oxirana-8(1,3)-benzenacyclotetradecaphane-10,12-dien-4-yl N-methyl-N-(3-(methylsulfinothioyl)propanoyl)-D-alaninate, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CALCIUM ION, ...
著者Wang, Y, Li, W.
登録日2021-02-15
公開日2021-07-07
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.597 Å)
主引用文献C3 ester side chain plays a pivotal role in the antitumor activity of Maytansinoids.
Biochem.Biophys.Res.Commun., 566, 2021
7EN3
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BU of 7en3 by Molmil
Crystal structure of tubulin in complex with Tubulysin analogue TGL
分子名称: (2S,4R)-5-(4-fluorophenyl)-2-methyl-4-[[2-[(1R,3R)-4-methyl-3-[5-methylhexyl-[(2S,3S)-3-methyl-2-[[(2R)-1-methylpiperidin-2-yl]carbonylamino]pentanoyl]amino]-1-oxidanyl-pentyl]-1,3-thiazol-4-yl]carbonylamino]pentanoic acid, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CALCIUM ION, ...
著者Wang, Y, Li, W.
登録日2021-04-15
公開日2022-04-27
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.643 Å)
主引用文献The X-ray structure of tubulysin analogue TGL in complex with tubulin and three possible routes for the development of next-generation tubulysin analogues.
Biochem.Biophys.Res.Commun., 565, 2021
3ZTX
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BU of 3ztx by Molmil
Aurora kinase selective inhibitors identified using a Taxol-induced checkpoint sensitivity screen.
分子名称: 2-((4-(4-HYDROXYPIPERIDIN-1-YL)PHENYL)AMINO)-5,11-DIMETHYL-5H-BENZO[E]PYRIMIDO [5,4-B][1,4]DIAZEPIN-6(11H)-ONE, INNER CENTROMERE PROTEIN A, SERINE/THREONINE-PROTEIN KINASE 12-A
著者Kwiatkowski, N, Villa, F, Musacchio, A, Gray, N.
登録日2011-07-12
公開日2012-02-01
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献Selective Aurora Kinase Inhibitors Identified Using a Taxol- Induced Checkpoint Sensitivity Screen.
Acs Chem.Biol., 7, 2012
6BEA
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BU of 6bea by Molmil
Crystal structure of the autotransporter UpaB from E. coli strain CFT073
分子名称: Autotransporter protein UpaB, CALCIUM ION, CHLORIDE ION, ...
著者Paxman, J.J, Heras, B.
登録日2017-10-25
公開日2019-04-10
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (1.97 Å)
主引用文献Unique structural features of a bacterial autotransporter adhesin suggest mechanisms for interaction with host macromolecules.
Nat Commun, 10, 2019
6ATE
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BU of 6ate by Molmil
SRC kinase bound to covalent inhibitor
分子名称: N-{2-[(5-chloro-2-{[4-(4-methylpiperazin-1-yl)phenyl]amino}pyrimidin-4-yl)amino]phenyl}propanamide, Proto-oncogene tyrosine-protein kinase Src
著者Gurbani, D, Westover, K.D.
登録日2017-08-28
公開日2019-02-27
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (2.402 Å)
主引用文献Leveraging Compound Promiscuity to Identify Targetable Cysteines within the Kinome.
Cell Chem Biol, 26, 2019
6DUN
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BU of 6dun by Molmil
Crystal Structure Analysis of PIN1
分子名称: Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1, TRIHYDROXYARSENITE(III)
著者Seo, H.-S, Dhe-Paganon, S.
登録日2018-06-21
公開日2019-03-06
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.59 Å)
主引用文献Arsenic targets Pin1 and cooperates with retinoic acid to inhibit cancer-driving pathways and tumor-initiating cells.
Nat Commun, 9, 2018
4CKR
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BU of 4ckr by Molmil
Crystal structure of the human DDR1 kinase domain in complex with DDR1-IN-1
分子名称: 1,2-ETHANEDIOL, 4-[(4-ethylpiperazin-1-yl)methyl]-n-{4-methyl-3-[(2-oxo-2,3-dihydro-1h-indol-5-yl)oxy]phenyl}-3-(trifluoromethyl)benzamide, EPITHELIAL DISCOIDIN DOMAIN-CONTAINING RECEPTOR 1
著者Canning, P, Elkins, J.M, Goubin, S, Mahajan, P, Krojer, T, Newman, J.A, Dixon-Clarke, S, Chaikuad, A, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Bullock, A.
登録日2014-01-07
公開日2014-01-15
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Discovery of a Potent and Selective Ddr1 Receptor Tyrosine Kinase Inhibitor.
Acs Chem.Biol., 8, 2013
6DAU
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BU of 6dau by Molmil
Crystal structure of E33Q and E41Q mutant forms of the spermidine/spermine N-acetyltransferase SpeG from Vibrio cholerae
分子名称: GLYCEROL, Spermidine N1-acetyltransferase
著者Filippova, E.V, Minasov, G, Beahan, A, Kulyavtsev, P, Tan, L, Tran, D, Kuhn, M.L, Anderson, W.F, Satchell, K.J.F, Joachimiak, A, Center for Structural Genomics of Infectious Diseases (CSGID)
登録日2018-05-02
公開日2018-07-04
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (2.26 Å)
主引用文献Crystal structure of E33Q and E41Q mutant forms of the spermidine/spermine N-acetyltransferase SpeG from Vibrio cholerae.
To be Published
5Y2T
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BU of 5y2t by Molmil
Structure of PPARgamma ligand binding domain - lobeglitazone complex
分子名称: (5S)-5-[[4-[2-[[6-(4-methoxyphenoxy)pyrimidin-4-yl]-methyl-amino]ethoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione, Peroxisome proliferator-activated receptor gamma
著者Im, Y.J, Lee, M.
登録日2017-07-27
公開日2017-12-20
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Structures of PPAR gamma complexed with lobeglitazone and pioglitazone reveal key determinants for the recognition of antidiabetic drugs
Sci Rep, 7, 2017
5Y2O
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BU of 5y2o by Molmil
Structure of PPARgamma ligand binding domain-pioglitazone complex
分子名称: (5S)-5-[[4-[2-(5-ethylpyridin-2-yl)ethoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione, Peroxisome proliferator-activated receptor gamma
著者Im, Y.J, Lee, M.
登録日2017-07-26
公開日2017-12-20
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.801 Å)
主引用文献Structures of PPAR gamma complexed with lobeglitazone and pioglitazone reveal key determinants for the recognition of antidiabetic drugs
Sci Rep, 7, 2017
6IYB
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BU of 6iyb by Molmil
Structure of human ORP1 ANK - Rab7 complex
分子名称: GUANOSINE-5'-TRIPHOSPHATE, MAGNESIUM ION, Oxysterol-binding protein-related protein 1, ...
著者Tong, J, Im, Y.J.
登録日2018-12-14
公開日2019-03-13
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.091 Å)
主引用文献Structural basis of human ORP1-Rab7 interaction for the late-endosome and lysosome targeting.
PLoS ONE, 14, 2019
8HF2
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BU of 8hf2 by Molmil
Cryo-EM structure of WeiTsing
分子名称: PRA1 family protein
著者Qin, L, Tang, L.H, Chen, Y.H.
登録日2022-11-09
公開日2023-06-21
最終更新日2024-07-03
実験手法ELECTRON MICROSCOPY (4.14 Å)
主引用文献WeiTsing, a pericycle-expressed ion channel, safeguards the stele to confer clubroot resistance.
Cell, 186, 2023
8GUG
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BU of 8gug by Molmil
Structure of VPA0770 toxin bound to VPA0769 antitoxin in Vibrio parahaemolyticus
分子名称: DUF2384 domain-containing protein, RES domain-containing protein
著者Song, X.J, Zhang, Y, Xu, Y.Y, Lin, Z.
登録日2022-09-12
公開日2023-07-26
最終更新日2024-05-29
実験手法X-RAY DIFFRACTION (2.85 Å)
主引用文献Structural insights of the toxin-antitoxin system VPA0770-VPA0769 in Vibrio parahaemolyticus.
Int.J.Biol.Macromol., 242, 2023
8H59
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BU of 8h59 by Molmil
A fungal MAP kinase in complex with an inhibitor
分子名称: Mitogen-activated protein kinase MPS1, ~{N}-[(2~{S})-3-(1~{H}-indol-3-yl)-1-(methylamino)-1-oxidanylidene-propan-2-yl]-8-[2-methoxy-5-(trifluoromethyloxy)phenyl]-1,6-naphthyridine-2-carboxamide
著者Kong, Z, Zhang, X, Wang, D, Liu, J.
登録日2022-10-12
公開日2023-02-08
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.15 Å)
主引用文献Structure-Aided Identification of an Inhibitor Targets Mps1 for the Management of Plant-Pathogenic Fungi.
Mbio, 14, 2023
8HFY
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BU of 8hfy by Molmil
SARS-CoV-2 Omicron BA.1 spike protein receptor-binding domain in complex with white-tailed deer ACE2
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Angiotensin-converting enzyme, ...
著者Han, P, Meng, Y.M, Qi, J.X.
登録日2022-11-13
公開日2023-08-30
最終更新日2023-10-25
実験手法ELECTRON MICROSCOPY (3.21 Å)
主引用文献Structural basis of white-tailed deer, Odocoileus virginianus , ACE2 recognizing all the SARS-CoV-2 variants of concern with high affinity.
J.Virol., 97, 2023
8HFX
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BU of 8hfx by Molmil
Cryo-EM structure of SARS-CoV-2 Omicron BA.1 spike protein in complex with white-tailed deer ACE2
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Angiotensin-converting enzyme, ...
著者Han, P, Meng, Y.M, Qi, J.X.
登録日2022-11-13
公開日2023-08-30
最終更新日2023-10-25
実験手法ELECTRON MICROSCOPY (2.98 Å)
主引用文献Structural basis of white-tailed deer, Odocoileus virginianus , ACE2 recognizing all the SARS-CoV-2 variants of concern with high affinity.
J.Virol., 97, 2023
8HG0
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BU of 8hg0 by Molmil
Cryo-EM structure of SARS-CoV-2 prototype spike protein receptor-binding domain in complex with white-tailed deer ACE2
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, Angiotensin-converting enzyme, Spike protein S1, ...
著者Han, P, Meng, Y.M, Qi, J.X.
登録日2022-11-13
公開日2023-08-30
最終更新日2023-10-25
実験手法ELECTRON MICROSCOPY (3.51 Å)
主引用文献Structural basis of white-tailed deer, Odocoileus virginianus , ACE2 recognizing all the SARS-CoV-2 variants of concern with high affinity.
J.Virol., 97, 2023

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