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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
Descriptor: Angiopoietin-1 receptor, N-{3-[3-(DIMETHYLAMINO)PROPYL]-5-(TRIFLUOROMETHYL)PHENYL}-4-METHYL-3-[(3-PYRIMIDIN-4-YLPYRIDIN-2-YL)AMINO]BENZAMIDE
Authors:Bellon, S.F, Kim, J.
Deposit date:2007-01-25
Release date:2007-03-20
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (2.2 Å)
Cite: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)
Descriptor: (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'), ...
Authors:Noeske, J, Shu, W, Bellamacina, C.
Deposit date:2021-01-26
Release date:2021-05-12
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (3.3 Å)
Cite: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
Descriptor: Angiopoietin-1 receptor, N-{4-METHYL-3-[(3-PYRIMIDIN-4-YLPYRIDIN-2-YL)AMINO]PHENYL}-3-(TRIFLUOROMETHYL)BENZAMIDE
Authors:Bellon, S.F, Kim, J.
Deposit date:2007-02-05
Release date:2007-03-20
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (2.8 Å)
Cite: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
Descriptor: DH576 Fab heavy chain, DH576 Fab light chain
Authors:Fera, D, Harrison, S.C.
Deposit date:2017-01-15
Release date:2017-03-08
Last modified:2024-10-30
Method:X-RAY DIFFRACTION (2.501 Å)
Cite: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
Descriptor: MANGANESE (II) ION, Putative Nudix hydrolase ymfB, SULFATE ION
Authors:Hong, M.K, Kim, J.K, Kang, L.W.
Deposit date:2013-11-01
Release date:2014-05-14
Last modified:2015-03-11
Method:X-RAY DIFFRACTION (2.3 Å)
Cite: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
Descriptor: L-ascorbate peroxidase, POTASSIUM ION, PROTOPORPHYRIN IX CONTAINING FE, ...
Authors:Poulos, T.L, Kim, J, Murarka, V.C.
Deposit date:2021-08-31
Release date:2022-09-07
Last modified:2024-09-11
Method:X-RAY DIFFRACTION (1.40000689 Å)
Cite: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
Descriptor: Putative Nudix hydrolase ymfB
Authors:Hong, M.K, Kim, J.K, Kang, L.W.
Deposit date:2013-11-01
Release date:2014-05-14
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (2.69 Å)
Cite: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)
Descriptor: Type 6 secretion amidase effector 2
Authors:Chou, S, Radkov, A.D.
Deposit date:2020-04-10
Release date:2020-04-22
Last modified:2024-10-23
Method:X-RAY DIFFRACTION (2.05 Å)
Cite: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
Descriptor: 5-amino-1-tert-butyl-3-(quinolin-2-yl)-1H-pyrazole-4-carboxamide, Calmodulin-domain protein kinase 1
Authors:Merritt, E.A.
Deposit date:2013-08-12
Release date:2013-10-02
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.998 Å)
Cite: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
Descriptor: Ss-DNA binding protein 12RNP2
Authors:Ma, C, Lee, J, Kim, J, Park, S, Kwon, A, Lee, B.
Deposit date:2009-04-20
Release date:2009-10-20
Last modified:2024-05-29
Method:SOLUTION NMR
Cite: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
Descriptor: Peptidase M23, SULFATE ION, ZINC ION
Authors:Min, K.J, An, D.R, Yoon, H.J, Suh, S.W, Lee, H.H.
Deposit date:2019-03-13
Release date:2020-01-15
Last modified:2024-05-29
Method:X-RAY DIFFRACTION (2.106 Å)
Cite: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
Descriptor: D(-)-TARTARIC ACID, GLYCEROL, Peptidase M23, ...
Authors:Min, K.J, An, D.R, Yoon, H.J, Suh, S.W, Lee, H.H.
Deposit date:2019-03-13
Release date:2020-01-15
Last modified:2024-05-29
Method:X-RAY DIFFRACTION (1.859 Å)
Cite: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
Descriptor: C0O-DAL-DAL, Peptidase M23, ZINC ION
Authors:Min, K.J, An, D.R, Yoon, H.J, Suh, S.W, Lee, H.H.
Deposit date:2019-03-13
Release date:2020-01-15
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (2.382 Å)
Cite: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
Descriptor: Peptidase M23, ZINC ION
Authors:Min, K.J, An, D.R, Yoon, H.J, Suh, S.W, Lee, H.H.
Deposit date:2019-03-13
Release date:2020-01-15
Last modified:2024-05-29
Method:X-RAY DIFFRACTION (1.92 Å)
Cite: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
Descriptor: C0O-DAL-API, Peptidase M23, ZINC ION
Authors:Min, K.J, An, D.R, Yoon, H.J, Suh, S.W, Lee, H.H.
Deposit date:2019-03-13
Release date:2020-01-15
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (2.164 Å)
Cite: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
Descriptor: D(-)-TARTARIC ACID, Peptidase M23, ZINC ION
Authors:Min, K.J, An, D.R, Yoon, H.J, Suh, S.W, Lee, H.H.
Deposit date:2019-03-13
Release date:2020-01-15
Last modified:2024-05-29
Method:X-RAY DIFFRACTION (2.04 Å)
Cite: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
Descriptor: CITRIC ACID, Peptidase M23, ZINC ION
Authors:Min, K.J, An, D.R, Yoon, H.J, Suh, S.W, Lee, H.H.
Deposit date:2019-03-13
Release date:2020-01-15
Last modified:2024-05-29
Method:X-RAY DIFFRACTION (1.661 Å)
Cite: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
Descriptor: CBTAU-7.1 Fab heavy chain, CBTAU-7.1 Fab light chain
Authors:Zhu, X, Zhang, H, Wilson, I.A.
Deposit date:2017-03-20
Release date:2017-04-12
Last modified:2024-10-23
Method:X-RAY DIFFRACTION (2.3 Å)
Cite: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
Descriptor: CBTAU-22.1 Fab heavy chain, CBTAU-22.1 Fab light chain, SULFATE ION
Authors:Zhu, X, Zhang, H, Wilson, I.A.
Deposit date:2017-03-20
Release date:2017-04-12
Last modified:2024-10-30
Method:X-RAY DIFFRACTION (1.64 Å)
Cite: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
Descriptor: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CH59UA Fab fragment of heavy chain, CHLORIDE ION, ...
Authors: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.
Deposit date:2014-05-19
Release date:2015-02-18
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (2.4 Å)
Cite: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
Descriptor: CITRIC ACID, Peptidase M23, ZINC ION
Authors:Min, K.J, An, D.R, Yoon, H.J, Suh, S.W, Lee, H.H.
Deposit date:2019-09-03
Release date:2020-01-15
Last modified:2024-05-29
Method:X-RAY DIFFRACTION (1.722 Å)
Cite: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
Descriptor: GLYCEROL, Protein Niban 2
Authors:Hahn, H, Kim, H.S, Han, B.W.
Deposit date:2020-08-20
Release date:2020-11-25
Last modified:2024-03-27
Method:X-RAY DIFFRACTION (1.8 Å)
Cite: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
Descriptor: 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'), ...
Authors:Yin, L, Shi, K, Aihara, H.
Deposit date:2022-09-18
Release date:2023-09-20
Last modified:2024-09-18
Method:X-RAY DIFFRACTION (2.67 Å)
Cite: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
Descriptor: 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'), ...
Authors:Yin, L, Shi, K, Aihara, H.
Deposit date:2022-09-18
Release date:2023-09-20
Last modified:2024-09-18
Method:X-RAY DIFFRACTION (2.174 Å)
Cite: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
Descriptor: CHLORIDE ION, Lysozyme, ESX-1 secretion-associated protein EspG1 chimera
Authors:Korotkov, K.V.
Deposit date:2017-03-29
Release date:2017-07-05
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.27 Å)
Cite: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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