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2OO8
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BU of 2oo8 by Molmil
Synthesis, Structural Analysis, and SAR Studies of Triazine Derivatives as Potent, Selective Tie-2 Inhibitors
分子名称: Angiopoietin-1 receptor, N-{3-[3-(DIMETHYLAMINO)PROPYL]-5-(TRIFLUOROMETHYL)PHENYL}-4-METHYL-3-[(3-PYRIMIDIN-4-YLPYRIDIN-2-YL)AMINO]BENZAMIDE
著者Bellon, S.F, Kim, J.
登録日2007-01-25
公開日2007-03-20
最終更新日2023-12-27
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Synthesis, structural analysis, and SAR studies of triazine derivatives as potent, selective Tie-2 inhibitors.
Bioorg.Med.Chem.Lett., 17, 2007
7LHZ
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BU of 7lhz by Molmil
K. pneumoniae Topoisomerase IV (ParE-ParC) in complex with DNA and (3S)-10-[(3R)-3-(1-aminocyclopropyl)pyrrolidin-1-yl]-9-fluoro-3-methyl-5-oxo-2,3-dihydro-5H-[1,4]oxazino[2,3,4-ij]quinoline-6-carboxylic acid (compound 25)
分子名称: (3S)-10-[(3R)-3-(1-aminocyclopropyl)pyrrolidin-1-yl]-9-fluoro-3-methyl-5-oxo-2,3-dihydro-5H-[1,4]oxazino[2,3,4-ij]quinoline-6-carboxylic acid, (4S)-2-METHYL-2,4-PENTANEDIOL, DNA (5'-D(*GP*AP*TP*CP*AP*TP*AP*CP*AP*AP*CP*GP*TP*AP*A)-3'), ...
著者Noeske, J, Shu, W, Bellamacina, C.
登録日2021-01-26
公開日2021-05-12
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (3.3 Å)
主引用文献Discovery and Optimization of DNA Gyrase and Topoisomerase IV Inhibitors with Potent Activity against Fluoroquinolone-Resistant Gram-Positive Bacteria.
J.Med.Chem., 64, 2021
2OSC
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BU of 2osc by Molmil
Synthesis, Structural Analysis, and SAR Studies of Triazine Derivatives as Potent, Selective Tie-2 Inhibitors
分子名称: Angiopoietin-1 receptor, N-{4-METHYL-3-[(3-PYRIMIDIN-4-YLPYRIDIN-2-YL)AMINO]PHENYL}-3-(TRIFLUOROMETHYL)BENZAMIDE
著者Bellon, S.F, Kim, J.
登録日2007-02-05
公開日2007-03-20
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Synthesis, structural analysis, and SAR studies of triazine derivatives as potent, selective Tie-2 inhibitors.
Bioorg.Med.Chem.Lett., 17, 2007
5UIX
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BU of 5uix by Molmil
Crystal Structure of the DH576 CD4bs Fab (unliganded) from the RV305 HIV Vaccine Trial
分子名称: DH576 Fab heavy chain, DH576 Fab light chain
著者Fera, D, Harrison, S.C.
登録日2017-01-15
公開日2017-03-08
最終更新日2024-10-30
実験手法X-RAY DIFFRACTION (2.501 Å)
主引用文献Boosting of HIV envelope CD4 binding site antibodies with long variable heavy third complementarity determining region in the randomized double blind RV305 HIV-1 vaccine trial.
PLoS Pathog., 13, 2017
4NFW
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BU of 4nfw by Molmil
Structure and atypical hydrolysis mechanism of the Nudix hydrolase Orf153 (YmfB) from Escherichia coli
分子名称: MANGANESE (II) ION, Putative Nudix hydrolase ymfB, SULFATE ION
著者Hong, M.K, Kim, J.K, Kang, L.W.
登録日2013-11-01
公開日2014-05-14
最終更新日2015-03-11
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Divalent metal ion-based catalytic mechanism of the Nudix hydrolase Orf153 (YmfB) from Escherichia coli
Acta Crystallogr.,Sect.D, 70, 2014
7S10
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BU of 7s10 by Molmil
Crystal Structure of ascorbate peroxidase triple mutant: S160M, L203M, Q204M
分子名称: L-ascorbate peroxidase, POTASSIUM ION, PROTOPORPHYRIN IX CONTAINING FE, ...
著者Poulos, T.L, Kim, J, Murarka, V.C.
登録日2021-08-31
公開日2022-09-07
最終更新日2024-09-11
実験手法X-RAY DIFFRACTION (1.40000689 Å)
主引用文献Computational analysis of the tryptophan cation radical energetics in peroxidase Compound I.
J.Biol.Inorg.Chem., 27, 2022
4NFX
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BU of 4nfx by Molmil
Structure and atypical hydrolysis mechanism of the Nudix hydrolase Orf153 (YmfB) from Escherichia coli
分子名称: Putative Nudix hydrolase ymfB
著者Hong, M.K, Kim, J.K, Kang, L.W.
登録日2013-11-01
公開日2014-05-14
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (2.69 Å)
主引用文献Divalent metal ion-based catalytic mechanism of the Nudix hydrolase Orf153 (YmfB) from Escherichia coli
Acta Crystallogr.,Sect.D, 70, 2014
6WIN
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BU of 6win by Molmil
Type 6 secretion amidase effector 2 (Tae2)
分子名称: Type 6 secretion amidase effector 2
著者Chou, S, Radkov, A.D.
登録日2020-04-10
公開日2020-04-22
最終更新日2024-10-23
実験手法X-RAY DIFFRACTION (2.05 Å)
主引用文献Ticks Resist Skin Commensals with Immune Factor of Bacterial Origin.
Cell, 183, 2020
4M84
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BU of 4m84 by Molmil
Calcium-Dependent Protein Kinase 1 from Toxoplasma gondii (TgCDPK1) in complex with inhibitor UW1455
分子名称: 5-amino-1-tert-butyl-3-(quinolin-2-yl)-1H-pyrazole-4-carboxamide, Calmodulin-domain protein kinase 1
著者Merritt, E.A.
登録日2013-08-12
公開日2013-10-02
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.998 Å)
主引用文献Potent and selective inhibitors of CDPK1 from T. gondii and C. parvum based on a 5-aminopyrazole-4-carboxamide scaffold.
ACS Med Chem Lett, 5, 2014
2KI2
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BU of 2ki2 by Molmil
Solution Structure of ss-DNA Binding Protein 12RNP2 Precursor, HP0827(O25501_HELPY) form Helicobacter pylori
分子名称: Ss-DNA binding protein 12RNP2
著者Ma, C, Lee, J, Kim, J, Park, S, Kwon, A, Lee, B.
登録日2009-04-20
公開日2009-10-20
最終更新日2024-05-29
実験手法SOLUTION NMR
主引用文献NMR solution structure of HP0827 (O25501_HELPY) from Helicobacter pylori: model of the possible RNA-binding site
J.Biochem., 146, 2009
6JN8
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BU of 6jn8 by Molmil
Structure of H216A mutant open form peptidoglycan peptidase
分子名称: Peptidase M23, SULFATE ION, ZINC ION
著者Min, K.J, An, D.R, Yoon, H.J, Suh, S.W, Lee, H.H.
登録日2019-03-13
公開日2020-01-15
最終更新日2024-05-29
実験手法X-RAY DIFFRACTION (2.106 Å)
主引用文献Peptidoglycan reshaping by a noncanonical peptidase for helical cell shape in Campylobacter jejuni.
Nat Commun, 11, 2020
6JMX
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BU of 6jmx by Molmil
Structure of open form of peptidoglycan peptidase
分子名称: D(-)-TARTARIC ACID, GLYCEROL, Peptidase M23, ...
著者Min, K.J, An, D.R, Yoon, H.J, Suh, S.W, Lee, H.H.
登録日2019-03-13
公開日2020-01-15
最終更新日2024-05-29
実験手法X-RAY DIFFRACTION (1.859 Å)
主引用文献Peptidoglycan reshaping by a noncanonical peptidase for helical cell shape in Campylobacter jejuni.
Nat Commun, 11, 2020
6JN1
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BU of 6jn1 by Molmil
Structure of H247A mutant peptidoglycan peptidase complex with penta peptide
分子名称: C0O-DAL-DAL, Peptidase M23, ZINC ION
著者Min, K.J, An, D.R, Yoon, H.J, Suh, S.W, Lee, H.H.
登録日2019-03-13
公開日2020-01-15
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (2.382 Å)
主引用文献Peptidoglycan reshaping by a noncanonical peptidase for helical cell shape in Campylobacter jejuni.
Nat Commun, 11, 2020
6JMZ
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BU of 6jmz by Molmil
Structure of H247A mutant open form peptidoglycan peptidase
分子名称: Peptidase M23, ZINC ION
著者Min, K.J, An, D.R, Yoon, H.J, Suh, S.W, Lee, H.H.
登録日2019-03-13
公開日2020-01-15
最終更新日2024-05-29
実験手法X-RAY DIFFRACTION (1.92 Å)
主引用文献Peptidoglycan reshaping by a noncanonical peptidase for helical cell shape in Campylobacter jejuni.
Nat Commun, 11, 2020
6JN0
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BU of 6jn0 by Molmil
Structure of H247A mutant peptidoglycan peptidase complex with tetra-tri peptide
分子名称: C0O-DAL-API, Peptidase M23, ZINC ION
著者Min, K.J, An, D.R, Yoon, H.J, Suh, S.W, Lee, H.H.
登録日2019-03-13
公開日2020-01-15
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (2.164 Å)
主引用文献Peptidoglycan reshaping by a noncanonical peptidase for helical cell shape in Campylobacter jejuni.
Nat Commun, 11, 2020
6JN7
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BU of 6jn7 by Molmil
Structure of H216A mutant closed form peptidoglycan peptidase
分子名称: D(-)-TARTARIC ACID, Peptidase M23, ZINC ION
著者Min, K.J, An, D.R, Yoon, H.J, Suh, S.W, Lee, H.H.
登録日2019-03-13
公開日2020-01-15
最終更新日2024-05-29
実験手法X-RAY DIFFRACTION (2.04 Å)
主引用文献Peptidoglycan reshaping by a noncanonical peptidase for helical cell shape in Campylobacter jejuni.
Nat Commun, 11, 2020
6JMY
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BU of 6jmy by Molmil
Structure of wild type closed form of peptidoglycan peptidase
分子名称: CITRIC ACID, Peptidase M23, ZINC ION
著者Min, K.J, An, D.R, Yoon, H.J, Suh, S.W, Lee, H.H.
登録日2019-03-13
公開日2020-01-15
最終更新日2024-05-29
実験手法X-RAY DIFFRACTION (1.661 Å)
主引用文献Peptidoglycan reshaping by a noncanonical peptidase for helical cell shape in Campylobacter jejuni.
Nat Commun, 11, 2020
5V7R
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BU of 5v7r by Molmil
Cyrstal structure of anti-Tau antibody CBTAU-7.1 Fab
分子名称: CBTAU-7.1 Fab heavy chain, CBTAU-7.1 Fab light chain
著者Zhu, X, Zhang, H, Wilson, I.A.
登録日2017-03-20
公開日2017-04-12
最終更新日2024-10-23
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Immunological memory to hyperphosphorylated tau in asymptomatic individuals.
Acta Neuropathol., 133, 2017
5V7U
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BU of 5v7u by Molmil
Cyrstal structure of anti-Tau antibody CBTAU-22.1 Fab
分子名称: CBTAU-22.1 Fab heavy chain, CBTAU-22.1 Fab light chain, SULFATE ION
著者Zhu, X, Zhang, H, Wilson, I.A.
登録日2017-03-20
公開日2017-04-12
最終更新日2024-10-30
実験手法X-RAY DIFFRACTION (1.64 Å)
主引用文献Immunological memory to hyperphosphorylated tau in asymptomatic individuals.
Acta Neuropathol., 133, 2017
4QF1
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BU of 4qf1 by Molmil
Crystal structure of unliganded CH59UA, the inferred unmutated ancestor of the RV144 anti-HIV antibody lineage producing CH59
分子名称: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CH59UA Fab fragment of heavy chain, CHLORIDE ION, ...
著者Wiehe, K, Easterhoff, D, Luo, K, Nicely, N.I, Bradley, T, Jaeger, F.H, Dennison, S.M, Zhang, R, Lloyd, K.E, Stolarchuk, C, Parks, R, Sutherland, L.L, Scearce, R.M, Morris, L, Kaewkungwal, J, Nitayaphan, S, Pitisuttithum, P, Rerks-Ngarm, S, Michael, N, Kim, J, Kelsoe, G, Montefiori, D.C, Tomaras, G, Bonsignori, M, Santra, S, Kepler, T.B, Alam, S.M, Moody, M.A, Liao, H.-X, Haynes, B.F.
登録日2014-05-19
公開日2015-02-18
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Antibody Light-Chain-Restricted Recognition of the Site of Immune Pressure in the RV144 HIV-1 Vaccine Trial Is Phylogenetically Conserved.
Immunity, 41, 2014
6KV1
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BU of 6kv1 by Molmil
Structure of wild type closed form of peptidoglycan peptidase ZN SAD
分子名称: CITRIC ACID, Peptidase M23, ZINC ION
著者Min, K.J, An, D.R, Yoon, H.J, Suh, S.W, Lee, H.H.
登録日2019-09-03
公開日2020-01-15
最終更新日2024-05-29
実験手法X-RAY DIFFRACTION (1.722 Å)
主引用文献Peptidoglycan reshaping by a noncanonical peptidase for helical cell shape in Campylobacter jejuni.
Nat Commun, 11, 2020
7CTP
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BU of 7ctp by Molmil
Crystal Structure of Human FAM129B/MINERVA/NIBAN2
分子名称: GLYCEROL, Protein Niban 2
著者Hahn, H, Kim, H.S, Han, B.W.
登録日2020-08-20
公開日2020-11-25
最終更新日2024-03-27
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Structural Insight on Functional Regulation of Human MINERVA Protein.
Int J Mol Sci, 21, 2020
8EJO
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BU of 8ejo by Molmil
Crystal structure of the homeodomain of Platypus sDUX in complex with DNA
分子名称: 1,2-ETHANEDIOL, DNA (5'-D(*GP*CP*GP*TP*AP*AP*TP*CP*TP*AP*AP*TP*CP*AP*AP*CP*A)-3'), DNA (5'-D(*TP*GP*TP*TP*GP*AP*TP*TP*AP*GP*AP*TP*TP*AP*CP*GP*C)-3'), ...
著者Yin, L, Shi, K, Aihara, H.
登録日2022-09-18
公開日2023-09-20
最終更新日2024-09-18
実験手法X-RAY DIFFRACTION (2.67 Å)
主引用文献Antagonism among DUX family members evolved from an ancestral toxic single homeodomain protein.
Iscience, 26, 2023
8EJP
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BU of 8ejp by Molmil
Crystal structure of the homeodomain of Platypus sDUX in complex with DNA containing 5-Bromouracil
分子名称: 1,2-ETHANEDIOL, DNA (5'-D(*GP*CP*GP*TP*AP*AP*TP*CP*TP*AP*AP*TP*CP*AP*AP*CP*A)-3'), DNA (5'-D(*TP*GP*TP*TP*GP*AP*TP*TP*AP*GP*AP*TP*TP*AP*CP*GP*C)-3'), ...
著者Yin, L, Shi, K, Aihara, H.
登録日2022-09-18
公開日2023-09-20
最終更新日2024-09-18
実験手法X-RAY DIFFRACTION (2.174 Å)
主引用文献Antagonism among DUX family members evolved from an ancestral toxic single homeodomain protein.
Iscience, 26, 2023
5VBA
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BU of 5vba by Molmil
Structure of EspG1 chaperone from the type VII (ESX-1) secretion system determined with the assistance of N-terminal T4 lysozyme fusion
分子名称: CHLORIDE ION, Lysozyme, ESX-1 secretion-associated protein EspG1 chimera
著者Korotkov, K.V.
登録日2017-03-29
公開日2017-07-05
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (2.27 Å)
主引用文献Structural Variability of EspG Chaperones from Mycobacterial ESX-1, ESX-3, and ESX-5 Type VII Secretion Systems.
J. Mol. Biol., 431, 2019

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