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2HY0
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BU of 2hy0 by Molmil
crystal structure of chek1 in complex with inhibitor 22
Descriptor: 3-[5-(PIPERIDIN-1-YLMETHYL)-1H-INDOL-2-YL]-6-(1H-PYRAZOL-4-YL)QUINOLIN-2(1H)-ONE, Serine/threonine-protein kinase Chk1
Authors:Yan, Y.
Deposit date:2006-08-04
Release date:2007-06-19
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Development of 6-substituted indolylquinolinones as potent Chek1 kinase inhibitors.
Bioorg.Med.Chem.Lett., 16, 2006
7XQ3
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BU of 7xq3 by Molmil
Crystal structure of the tetramer of thioredoxin domain containing-protein of Oncomelania hupensis(OhTRP14)
Descriptor: Thioredoxin domain-containing protein 17
Authors:Wang, S.Q, Huang, S.Q.
Deposit date:2022-05-06
Release date:2022-10-12
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.77 Å)
Cite:Structural insights into the redox regulation of Oncomelania hupensis TRP14 and its potential role in the snail host response to parasite invasion.
Fish Shellfish Immunol., 128, 2022
7XPW
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BU of 7xpw by Molmil
Structure of OhTRP14
Descriptor: Thioredoxin domain-containing protein 17
Authors:Wang, S.Q, Huang, S.Q.
Deposit date:2022-05-05
Release date:2022-10-12
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.77 Å)
Cite:Structural insights into the redox regulation of Oncomelania hupensis TRP14 and its potential role in the snail host response to parasite invasion.
Fish Shellfish Immunol., 128, 2022
7XDD
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BU of 7xdd by Molmil
Cryo-EM structure of EDS1 and PAD4
Descriptor: Lipase-like PAD4, Protein EDS1
Authors:Huang, S.J, Jia, A.L, Sun, Y, Han, Z.F, Chai, J.J.
Deposit date:2022-03-26
Release date:2022-07-13
Last modified:2024-06-26
Method:ELECTRON MICROSCOPY (2.93 Å)
Cite:Identification and receptor mechanism of TIR-catalyzed small molecules in plant immunity.
Science, 377, 2022
8GDV
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BU of 8gdv by Molmil
Structure of M66I mutant of disulfide stabilized HIV-1 CA hexamer in complex with CPSF6 peptide and IP6
Descriptor: Cleavage and polyadenylation specificity factor subunit 6, Gag polyprotein, INOSITOL HEXAKISPHOSPHATE
Authors:Briganti, L, Schope, L, Kvaratskhelia, M.
Deposit date:2023-03-06
Release date:2024-03-13
Method:X-RAY DIFFRACTION (3.3 Å)
Cite:Structure of M66I mutant of disulfide stabilized HIV-1 CA hexamer in complex with CPSF6 peptide and IP6
To Be Published
2MVW
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BU of 2mvw by Molmil
Solution structure of the TRIM19 B-box1 (B1) of human promyelocytic leukemia (PML)
Descriptor: Protein PML, ZINC ION
Authors:Huang, S, Naik, M.T, Fan, P, Wang, Y, Chang, C, Huang, T.
Deposit date:2014-10-17
Release date:2014-11-12
Last modified:2024-05-15
Method:SOLUTION NMR
Cite:The B-box 1 dimer of human promyelocytic leukemia protein.
J.Biomol.Nmr, 60, 2014
6LKY
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BU of 6lky by Molmil
Crystal structure of isocitrate dehydrogenase from Methylococcus capsulatus
Descriptor: ACETATE ION, ACETYL GROUP, CITRIC ACID, ...
Authors:Huang, S, Wang, P, Zhu, G.P.
Deposit date:2019-12-21
Release date:2020-12-23
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Crystal structure of isocitrate dehydrogenase from Methylococcus capsulatus
To Be Published
6VHG
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BU of 6vhg by Molmil
Crystal structure of phosphorylated RET tyrosine kinase domain complexed with a pyrazolo[1,5-a]pyrimidine inhibitor
Descriptor: 3-(3,4-dimethoxyphenyl)-N~5~-(1-methylpiperidin-4-yl)-6-phenylpyrazolo[1,5-a]pyrimidine-5,7-diamine, ACETATE ION, CHLORIDE ION, ...
Authors:Lee, C.C, Spraggon, G.
Deposit date:2020-01-09
Release date:2020-02-26
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (2.303 Å)
Cite:Efficacy and Tolerability of Pyrazolo[1,5-a]pyrimidine RET Kinase Inhibitors for the Treatment of Lung Adenocarcinoma.
Acs Med.Chem.Lett., 11, 2020
7RUN
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BU of 7run by Molmil
Crystal structure of phosphorylated RET tyrosine kinase domain complexed with a pyrrolo[2,3-d]pyrimidine inhibitor.
Descriptor: 1-(4-{(1s,3s)-3-[4-amino-5-(3-amino-4-chlorophenyl)-7H-pyrrolo[2,3-d]pyrimidin-7-yl]cyclobutyl}piperazin-1-yl)ethan-1-one, CHLORIDE ION, Proto-oncogene tyrosine-protein kinase receptor Ret
Authors:Lee, C.C, Spraggon, G.
Deposit date:2021-08-17
Release date:2022-01-19
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (3.51 Å)
Cite:Antitarget Selectivity and Tolerability of Novel Pyrrolo[2,3- d ]pyrimidine RET Inhibitors.
Acs Med.Chem.Lett., 12, 2021
5LB7
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BU of 5lb7 by Molmil
Complex structure between p60N/p80C katanin and a peptide derived from ASPM
Descriptor: Abnormal spindle-like microcephaly-associated protein homolog, Katanin p60 ATPase-containing subunit A1, Katanin p80 WD40 repeat-containing subunit B1
Authors:Rezabkova, L, Capitani, G, Kammerer, R.A, Steinmetz, M.O.
Deposit date:2016-06-15
Release date:2017-04-26
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Microtubule minus-end regulation at spindle poles by an ASPM-katanin complex.
Nat. Cell Biol., 19, 2017
5LZN
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BU of 5lzn by Molmil
-TIP microtubule-binding domain
Descriptor: Calmodulin-regulated spectrin-associated protein 3
Authors:Stangier, M.M, Steinmetz, M.O.
Deposit date:2016-09-30
Release date:2017-10-04
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.4 Å)
Cite:A structural model for microtubule minus-end recognition and protection by CAMSAP proteins.
Nat. Struct. Mol. Biol., 24, 2017
5OW5
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BU of 5ow5 by Molmil
p60p80-CAMSAP complex
Descriptor: 1,2-ETHANEDIOL, Calmodulin-regulated spectrin-associated protein, DI(HYDROXYETHYL)ETHER, ...
Authors:Rezabkova, L, Capitani, G, Prota, A.E, Kammerer, R.A, Steinmetz, M.O.
Deposit date:2017-08-30
Release date:2018-07-11
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Structural Basis of Formation of the Microtubule Minus-End-Regulating CAMSAP-Katanin Complex.
Structure, 26, 2018
3LCT
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BU of 3lct by Molmil
Crystal Structure of the Anaplastic Lymphoma Kinase Catalytic Domain
Descriptor: ADENOSINE-5'-DIPHOSPHATE, ALK tyrosine kinase receptor, GLYCEROL
Authors:Lee, C.C.
Deposit date:2010-01-11
Release date:2010-08-04
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Crystal structure of the ALK (anaplastic lymphoma kinase) catalytic domain.
Biochem.J., 430, 2010
3LCS
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BU of 3lcs by Molmil
Crystal Structure of the Anaplastic Lymphoma Kinase Catalytic Domain
Descriptor: ALK tyrosine kinase receptor, GLYCEROL, STAUROSPORINE
Authors:Lee, C.C.
Deposit date:2010-01-11
Release date:2010-08-04
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Crystal structure of the ALK (anaplastic lymphoma kinase) catalytic domain.
Biochem.J., 430, 2010
3L9P
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BU of 3l9p by Molmil
Crystal Structure of the Anaplastic Lymphoma Kinase Catalytic Domain
Descriptor: Anaplastic lymphoma kinase, GLYCEROL
Authors:Lee, C.
Deposit date:2010-01-05
Release date:2010-07-28
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Crystal structure of the ALK (anaplastic lymphoma kinase) catalytic domain.
Biochem.J., 430, 2010
4MKC
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BU of 4mkc by Molmil
Crystal Structure of Anaplastic Lymphoma Kinase Complexed with LDK378
Descriptor: 5-chloro-N~2~-[5-methyl-4-(piperidin-4-yl)-2-(propan-2-yloxy)phenyl]-N~4~-[2-(propan-2-ylsulfonyl)phenyl]pyrimidine-2,4-diamine, ALK tyrosine kinase receptor, GLYCEROL
Authors:Lee, C.C, Spraggon, G.
Deposit date:2013-09-04
Release date:2014-04-09
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.01 Å)
Cite:The ALK Inhibitor Ceritinib Overcomes Crizotinib Resistance in Non-Small Cell Lung Cancer.
Cancer Discov, 4, 2014
3ELP
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BU of 3elp by Molmil
Structure of cystationine gamma lyase
Descriptor: Cystathionine gamma-lyase
Authors:Sun, Q, Sivaraman, J.
Deposit date:2008-09-23
Release date:2008-11-18
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Structural basis for the inhibition mechanism of human cystathionine gamma-lyase, an enzyme responsible for the production of H(2)S
J.Biol.Chem., 284, 2009
4C61
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BU of 4c61 by Molmil
Inhibitors of Jak2 Kinase domain
Descriptor: ACETATE ION, N2-[(1S)-1-(5-fluoropyrimidin-2-yl)ethyl]-7-methyl-N4-(1-methylimidazol-4-yl)thieno[3,2-d]pyrimidine-2,4-diamine, TYROSINE-PROTEIN KINASE JAK2
Authors:Read, J.A, Green, I, Pollard, H, Howard, T.
Deposit date:2013-09-17
Release date:2014-01-08
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (2.45 Å)
Cite:Discovery of 1-Methyl-1H-Imidazole Derivatives as Potent Jak2 Inhibitors.
J.Med.Chem., 57, 2014
4C62
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BU of 4c62 by Molmil
Inhibitors of Jak2 Kinase domain
Descriptor: ACETATE ION, N2-[(1S)-1-(5-fluoropyrimidin-2-yl)ethyl]-n4-(1-methylimidazol-4-yl)-6-morpholino-1,3,5-triazine-2,4-diamine, TYROSINE-PROTEIN KINASE JAK2
Authors:Read, J, Green, I, Pollard, H, Howard, T.
Deposit date:2013-09-17
Release date:2014-01-08
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (2.75 Å)
Cite:Discovery of 1-Methyl-1H-Imidazole Derivatives as Potent Jak2 Inhibitors.
J.Med.Chem., 57, 2014
1D8V
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BU of 1d8v by Molmil
THE RESTRAINED AND MINIMIZED AVERAGE NMR STRUCTURE OF MAP30.
Descriptor: ANTI-HIV AND ANTI-TUMOR PROTEIN MAP30
Authors:Wang, Y.-X, Neamati, N, Jacob, J, Palmer, I, Stahl, S.J.
Deposit date:1999-10-26
Release date:1999-11-19
Last modified:2024-05-22
Method:SOLUTION NMR
Cite:Solution structure of anti-HIV-1 and anti-tumor protein MAP30: structural insights into its multiple functions.
Cell(Cambridge,Mass.), 99, 1999
3KTZ
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BU of 3ktz by Molmil
Structure of GAP31
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Ribosome-inactivating protein gelonin
Authors:Kong, X.-P.
Deposit date:2009-11-26
Release date:2010-01-26
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:A new activity of anti-HIV and anti-tumor protein GAP31: DNA adenosine glycosidase--structural and modeling insight into its functions.
Biochem.Biophys.Res.Commun., 391, 2010
3KU0
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BU of 3ku0 by Molmil
Structure of GAP31 with adenine at its binding pocket
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, ADENINE, Ribosome-inactivating protein gelonin
Authors:Kong, X.-P.
Deposit date:2009-11-26
Release date:2010-01-26
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:A new activity of anti-HIV and anti-tumor protein GAP31: DNA adenosine glycosidase--structural and modeling insight into its functions.
Biochem.Biophys.Res.Commun., 391, 2010
5GSA
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BU of 5gsa by Molmil
EED in complex with an allosteric PRC2 inhibitor
Descriptor: Histone-lysine N-methyltransferase EZH2, N-(furan-2-ylmethyl)-8-(4-methylsulfonylphenyl)-[1,2,4]triazolo[4,3-c]pyrimidin-5-amine, Polycomb protein EED
Authors:Zhao, K, Zhao, M, Luo, X, Zhang, H.
Deposit date:2016-08-15
Release date:2017-02-01
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.49 Å)
Cite:An allosteric PRC2 inhibitor targeting the H3K27me3 binding pocket of
Nat. Chem. Biol., 13, 2017
6PMI
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BU of 6pmi by Molmil
Sigm28-transcription initiation complex with specific promoter at the state 1
Descriptor: DNA-directed RNA polymerase subunit alpha, DNA-directed RNA polymerase subunit beta, DNA-directed RNA polymerase subunit beta', ...
Authors:Liu, B, Shi, W.
Deposit date:2019-07-02
Release date:2020-05-13
Last modified:2024-03-20
Method:ELECTRON MICROSCOPY (3.86 Å)
Cite:Structural basis of bacterial sigma28-mediated transcription reveals roles of the RNA polymerase zinc-binding domain.
Embo J., 39, 2020
2IHK
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BU of 2ihk by Molmil
crystal structure of multifunctional sialyltransferase from pasteurella multocida with CMP-3F(equatorial)-Neu5Ac bound
Descriptor: Alpha-2,3/2,6-sialyltransferase/sialidase, CYTIDINE-5'-MONOPHOSPHATE-3-FLUORO-N-ACETYL-NEURAMINIC ACID
Authors:Fisher, A.J, Ni, L.
Deposit date:2006-09-26
Release date:2007-05-22
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Crystal Structures of Pasteurella multocida Sialyltransferase Complexes with Acceptor and Donor Analogues Reveal Substrate Binding Sites and Catalytic Mechanism.
Biochemistry, 46, 2007

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