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6XPN
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Z-loop Deletion Mutant of AztC from Paracoccus denitrificans
分子名称: Periplasmic solute binding protein, ZINC ION
著者Yukl, E.T.
登録日2020-07-08
公開日2020-08-26
最終更新日2024-10-09
実験手法X-RAY DIFFRACTION (2.26 Å)
主引用文献Structural Features Mediating Zinc Binding and Transfer in the AztABCD Zinc Transporter System.
Biomolecules, 10, 2020
6PAK
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BU of 6pak by Molmil
Insight into subtilisin E-S7 cleavage pattern based on crystal structure and hydrolysates peptide analysis
分子名称: 1,2-ETHANEDIOL, CALCIUM ION, Subtilisin E
著者Tang, H, Shi, K, Aihara, H.
登録日2019-06-11
公開日2019-10-23
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.98 Å)
主引用文献Enhancing subtilisin thermostability through a modified normalized B-factor analysis and loop-grafting strategy.
J.Biol.Chem., 294, 2019
6ZLO
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BU of 6zlo by Molmil
E2 core of the fungal Pyruvate dehydrogenase complex with asymmetric interior PX30 component
分子名称: Dihydrolipoyllysine-residue acetyltransferase component of pyruvate dehydrogenase complex, mitochondrial
著者Forsberg, B.O, Howard, R.J, Aibara, S, Mortesaei, N, Lindahl, E.
登録日2020-06-30
公開日2020-09-23
最終更新日2024-05-01
実験手法ELECTRON MICROSCOPY (2.9 Å)
主引用文献Arrangement and symmetry of the fungal E3BP-containing core of the pyruvate dehydrogenase complex.
Nat Commun, 11, 2020
7RS5
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BU of 7rs5 by Molmil
Cryo-EM structure of Kip3 (AMPPNP) bound to Taxol-Stabilized Microtubules
分子名称: GUANOSINE-5'-DIPHOSPHATE, GUANOSINE-5'-TRIPHOSPHATE, MAGNESIUM ION, ...
著者Hernandez-Lopez, R.A, Leschziner, A.E, Arellano-Santoyo, H, Pellman, D, Stokasimov, E, Wang, R.Y.-R.
登録日2021-08-10
公開日2022-08-17
最終更新日2024-06-05
実験手法ELECTRON MICROSCOPY (3.9 Å)
主引用文献Multimodal tubulin binding by the yeast kinesin-8, Kip3, underlies its motility and depolymerization
Biorxiv, 2021
6XVA
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Crystal structure of the kinase domain of human c-KIT in complex with a type-II inhibitor bearing an acrylamide
分子名称: Mast/stem cell growth factor receptor Kit,Mast/stem cell growth factor receptor Kit, ~{N}-[[3-[2-[3-methoxy-5-(7-methoxyquinolin-4-yl)oxy-pyridin-2-yl]ethanoylamino]-5-methyl-phenyl]methyl]propanamide
著者Schimpl, M, McAuley, K, Hoyt, E.A, Thomas, M, Bodnarchuk, M.S, Lewis, H.J, Barratt, D, Deery, M.J, Ogg, D.J, Bernardes, G.J.L, Ward, R.A, Kettle, J.G, Waring, M.J.
登録日2020-01-21
公開日2020-05-27
最終更新日2024-05-01
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Alkynyl Benzoxazines and Dihydroquinazolines as Cysteine Targeting Covalent Warheads and Their Application in Identification of Selective Irreversible Kinase Inhibitors.
J.Am.Chem.Soc., 142, 2020
7QZV
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BU of 7qzv by Molmil
Hm-AMP2
分子名称: Hm-AMP2
著者Grafskaia, E.N, Pavlova, E.R, Latsis, I.A, Malakhova, M.V, Lavrenova, V.N, Ivchenkov, D.V, Bashkirov, P.V, Kot, E.F, Mineev, K.S, Arseniev, A.S, Klinov, D.V, Lazarev, V.N.
登録日2022-02-01
公開日2022-11-23
最終更新日2024-10-16
実験手法SOLUTION NMR
主引用文献Non-toxic antimicrobial peptide Hm-AMP2 from leech metagenome proteins identified by the gradient-boosting approach
Materials, 224, 2022
8ICD
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BU of 8icd by Molmil
REGULATION OF AN ENZYME BY PHOSPHORYLATION AT THE ACTIVE SITE
分子名称: ISOCITRATE DEHYDROGENASE, ISOCITRIC ACID, MAGNESIUM ION
著者Hurley, J.H, Dean, A.M, Sohl, J.L, Koshlandjunior, D.E, Stroud, R.M.
登録日1990-05-30
公開日1991-10-15
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Regulation of an enzyme by phosphorylation at the active site.
Science, 249, 1990
7RS6
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BU of 7rs6 by Molmil
Cryo-EM structure of Kip3 (AMPPNP) bound to GMPCPP-Stabilized Microtubules
分子名称: GUANOSINE-5'-TRIPHOSPHATE, MAGNESIUM ION, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER, ...
著者Hernandez-Lopez, R.A, Leschziner, A.E, Arellano-Santoyo, H, Pellman, D, Stokasimov, E, Wang, R.Y.-R.
登録日2021-08-11
公開日2022-08-17
最終更新日2024-02-28
実験手法ELECTRON MICROSCOPY (4.1 Å)
主引用文献Multimodal tubulin binding by the yeast kinesin-8, Kip3, underlies its motility and depolymerization
Biorxiv, 2024
6O6C
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BU of 6o6c by Molmil
RNA polymerase II elongation complex arrested at a CPD lesion
分子名称: DNA (27-MER), DNA (5'-D(P*GP*GP*AP*GP*AP*AP*GP*GP*AP*GP*CP*AP*GP*AP*GP*C)-3'), DNA-directed RNA polymerase II subunit RPB1, ...
著者Lahiri, I, Leshziner, A.E.
登録日2019-03-05
公開日2019-06-26
最終更新日2024-03-20
実験手法ELECTRON MICROSCOPY (3.1 Å)
主引用文献3.1 angstrom structure of yeast RNA polymerase II elongation complex stalled at a cyclobutane pyrimidine dimer lesion solved using streptavidin affinity grids.
J.Struct.Biol., 207, 2019
7R4S
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BU of 7r4s by Molmil
Crystal structure of PpSB1-LOV-I48T mutant (dark state)
分子名称: FLAVIN MONONUCLEOTIDE, Sensory box protein
著者Granzin, J, Batra-Safferling, R.
登録日2022-02-09
公開日2022-12-21
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (2.75 Å)
主引用文献Residue alterations within a conserved hydrophobic pocket influence light, oxygen, voltage photoreceptor dark recovery.
Photochem Photobiol Sci, 22, 2023
7U4O
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BU of 7u4o by Molmil
Structure of MAP kinase phosphatase 5 in complex with 3,3-dimethyl-1-((9-propyl-5,6-dihydrothieno[3,4-h]quinazolin-2-yl)thio)butan-2-one, an allosteric inhibitor
分子名称: 3,3-dimethyl-1-{[(9aM)-9-propyl-5,6-dihydrothieno[3,4-h]quinazolin-2-yl]sulfanyl}butan-2-one, Dual specificity protein phosphatase 10
著者Gannam, Z.T.K, Jamali, H, Lolis, E, Anderson, K.S, Ellman, J.A, Bennett, A.M.
登録日2022-02-28
公開日2022-10-05
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Defining the structure-activity relationship for a novel class of allosteric MKP5 inhibitors.
Eur.J.Med.Chem., 243, 2022
8BDG
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BU of 8bdg by Molmil
Tubulin-taxane-2b complex
分子名称: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CALCIUM ION, GUANOSINE-5'-DIPHOSPHATE, ...
著者Prota, A.E, Lucena-Agell, D, Ma, Y, Estevez-Gallego, J, Li, S, Bargsten, K, Altmann, K.H, Gaillard, N, Kamimura, S, Muehlethaler, T, Gago, F, Oliva, M.A, Steinmetz, M.O, Fang, W.S, Diaz, J.F.
登録日2022-10-19
公開日2023-03-22
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (2.35 Å)
主引用文献Structural insight into the stabilization of microtubules by taxanes.
Elife, 12, 2023
8BDF
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BU of 8bdf by Molmil
Tubulin-taxane-2a complex
分子名称: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CALCIUM ION, GUANOSINE-5'-DIPHOSPHATE, ...
著者Prota, A.E, Lucena-Agell, D, Ma, Y, Estevez-Gallego, J, Li, S, Bargsten, K, Altmann, K.H, Gaillard, N, Kamimura, S, Muehlethaler, T, Gago, F, Oliva, M.A, Steinmetz, M.O, Fang, W.S, Diaz, J.F.
登録日2022-10-19
公開日2023-03-22
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献Structural insight into the stabilization of microtubules by taxanes.
Elife, 12, 2023
8QMB
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BU of 8qmb by Molmil
Nucleant-assisted 2.0 A resolution structure of the Streptococcus pneumoniae topoisomerase IV-V18mer DNA complex with the novel fluoroquinolone Delafloxacin
分子名称: (4S)-2-METHYL-2,4-PENTANEDIOL, ACETATE ION, CHLORIDE ION, ...
著者Najmudin, S, Pan, X.S, Wang, B, Chayen, N.E, Fisher, L.M, Sanderson, M.R.
登録日2023-09-21
公開日2024-10-02
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献The nature of the molecular interactions at high resolution of the Streptococcus pneumoniae topoisomerase IV-DNA complex with the novel fluoroquinolone Delafloxacin.
To Be Published
6XBZ
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BU of 6xbz by Molmil
Structure of the human CDK-activating kinase
分子名称: CDK-activating kinase assembly factor MAT1, Cyclin-H, Cyclin-dependent kinase 7, ...
著者Greber, B.J, Perez-Bertoldi, J.M, Lim, K, Iavarone, A.T, Toso, D.B, Nogales, E.
登録日2020-06-07
公開日2020-09-09
最終更新日2020-09-30
実験手法ELECTRON MICROSCOPY (2.8 Å)
主引用文献The cryoelectron microscopy structure of the human CDK-activating kinase.
Proc.Natl.Acad.Sci.USA, 117, 2020
8BDE
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BU of 8bde by Molmil
Tubulin-baccatin III complex
分子名称: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CALCIUM ION, GUANOSINE-5'-DIPHOSPHATE, ...
著者Prota, A.E, Lucena-Agell, D, Ma, Y, Estevez-Gallego, J, Li, S, Bargsten, K, Altmann, K.H, Gaillard, N, Kamimura, S, Muehlethaler, T, Gago, F, Oliva, M.A, Steinmetz, M.O, Fang, W.S, Diaz, J.F.
登録日2022-10-19
公開日2023-03-22
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (1.902 Å)
主引用文献Structural insight into the stabilization of microtubules by taxanes.
Elife, 12, 2023
6XTI
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BU of 6xti by Molmil
NMR solution structure of class IV lasso peptide felipeptin A2 from Amycolatopsis sp. YIM10
分子名称: Felipeptin A2
著者Madland, E, Aachmann, F.L, Guerrero-Garzon, J.F, Zotchev, S.B, Courtade, G.
登録日2020-01-16
公開日2020-11-25
最終更新日2023-06-14
実験手法SOLUTION NMR
主引用文献Class IV Lasso Peptides Synergistically Induce Proliferation of Cancer Cells and Sensitize Them to Doxorubicin.
Iscience, 23, 2020
5LUX
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BU of 5lux by Molmil
Homeobox transcription factor CDX1 bound to methylated DNA
分子名称: DNA (5'-D(P*GP*AP*GP*GP*TP*(5CM)P*GP*TP*AP*AP*AP*AP*CP*AP*CP*AP*A)-3'), DNA (5'-D(P*GP*GP*AP*GP*GP*TP*(5CM)P*GP*TP*AP*AP*AP*AP*CP*AP*CP*AP*A)-3'), DNA (5'-D(P*TP*TP*GP*TP*GP*TP*TP*TP*TP*AP*(5CM)P*GP*AP*CP*CP*TP*C)-3'), ...
著者Morgunova, E, Popov, A, Taipale, J.
登録日2016-09-12
公開日2017-05-17
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (3.23 Å)
主引用文献Impact of cytosine methylation on DNA binding specificities of human transcription factors.
Science, 356, 2017
6OBL
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BU of 6obl by Molmil
JAK2 JH2 in complex with JAK168
分子名称: Tyrosine-protein kinase JAK2, [4-({5-amino-3-[(4-cyanophenyl)amino]-1H-1,2,4-triazole-1-carbonyl}amino)phenoxy]acetic acid
著者Krimmer, S.G, Liosi, M.E, Schlessinger, J, Jorgensen, W.L.
登録日2019-03-21
公開日2020-03-25
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.061 Å)
主引用文献Selective Janus Kinase 2 (JAK2) Pseudokinase Ligands with a Diaminotriazole Core.
J.Med.Chem., 63, 2020
6OS9
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BU of 6os9 by Molmil
human Neurotensin Receptor 1 (hNTSR1) - Gi1 Protein Complex in canonical conformation (C state)
分子名称: Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, Guanine nucleotide-binding protein G(I)/G(S)/G(T) subunit beta-1, Guanine nucleotide-binding protein G(i) subunit alpha-1, ...
著者Kato, H.E, Zhang, Y, Kobilka, B.K, Skiniotis, G.
登録日2019-05-01
公開日2019-07-10
最終更新日2019-12-18
実験手法ELECTRON MICROSCOPY (3 Å)
主引用文献Conformational transitions of a neurotensin receptor 1-Gi1complex.
Nature, 572, 2019
6XNY
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BU of 6xny by Molmil
Structure of RAG1 (R848M/E649V)-RAG2-DNA Strand Transfer Complex (Paired-Form)
分子名称: 12RSS integration strand (55-mer), 12RSS signal DNA top strand (34-mer), 23RSS integration strand (66-mer), ...
著者Zhang, Y, Corbett, E, Wu, S, Schatz, D.G.
登録日2020-07-05
公開日2020-08-26
最終更新日2024-03-06
実験手法ELECTRON MICROSCOPY (2.9 Å)
主引用文献Structural basis for the activation and suppression of transposition during evolution of the RAG recombinase.
Embo J., 39, 2020
7QZW
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BU of 7qzw by Molmil
Hm-AMP8
分子名称: Hm-AMP8
著者Grafskaia, E.N, Pavlova, E.R, Latsis, I.A, Malakhova, M.V, Lavrenova, V.N, Ivchenkov, D.V, Bashkirov, P.V, Kot, E.F, Mineev, K.S, Arseniev, A.S, Klinov, D.V, Lazarev, V.N.
登録日2022-02-01
公開日2023-02-15
実験手法SOLUTION NMR
主引用文献The study of the interaction of cationic peptides from a medical leech with blood components as a first step to the systemic use of antimicrobial peptides for therapy of infectious diseases
To Be Published
6OTV
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BU of 6otv by Molmil
Crystal structure of putative isomerase EC2056
分子名称: 1,2-ETHANEDIOL, ACETATE ION, PHOSPHATE ION, ...
著者Chang, C, Evdokimova, E, Savchenko, A, Joachimiak, A, Center for Structural Genomics of Infectious Diseases (CSGID)
登録日2019-05-03
公開日2019-05-15
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Crystal structure of putative isomerase EC2056
To Be Published
8OS6
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BU of 8os6 by Molmil
Structure of a GFRA1/GDNF LICAM complex
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, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, ...
著者Houghton, F.M, Adams, S.E, Briggs, D.C, McDonald, N.Q.
登録日2023-04-18
公開日2023-11-29
最終更新日2024-03-27
実験手法X-RAY DIFFRACTION (2.66 Å)
主引用文献Architecture and regulation of a GDNF-GFR alpha 1 synaptic adhesion assembly.
Nat Commun, 14, 2023
6XVB
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Crystal structure of the kinase domain of human c-KIT with a cyclic imidate inhibitor covalently bound to Cys788
分子名称: Mast/stem cell growth factor receptor Kit,Mast/stem cell growth factor receptor Kit, ~{N}-(4,4-dimethyl-2-propyl-3,1-benzoxazin-6-yl)-2-[3-methoxy-5-(7-methoxyquinolin-4-yl)oxy-pyridin-2-yl]ethanamide
著者Schimpl, M, McAuley, K, Hoyt, E.A, Thomas, M, Bodnarchuk, M.S, Lewis, H.J, Barratt, D, Deery, M.J, Ogg, D.J, Bernardes, G.J.L, Ward, R.A, Kettle, J.G, Waring, M.J.
登録日2020-01-21
公開日2020-05-27
最終更新日2024-05-01
実験手法X-RAY DIFFRACTION (2.15 Å)
主引用文献Alkynyl Benzoxazines and Dihydroquinazolines as Cysteine Targeting Covalent Warheads and Their Application in Identification of Selective Irreversible Kinase Inhibitors.
J.Am.Chem.Soc., 142, 2020

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