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PDB: 81 results

6X27
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BU of 6x27 by Molmil
Lon protease proteolytic domain complexed with bortezomib
Descriptor: GLYCEROL, Lon protease homolog, mitochondrial, ...
Authors:Lee, C.C, Spraggon, G.
Deposit date:2020-05-20
Release date:2021-04-14
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.12 Å)
Cite:Structure-Based Design of Selective LONP1 Inhibitors for Probing In Vitro Biology.
J.Med.Chem., 64, 2021
6X1M
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BU of 6x1m by Molmil
Lon protease proteolytic domain complexed with covalent boronic acid inhibitor
Descriptor: Lon protease homolog, mitochondrial, [(1R)-4-phenyl-1-{[N-(pyrazine-2-carbonyl)-D-norvalyl]amino}butyl]boronic acid
Authors:Lee, C.C, Spraggon, G.
Deposit date:2020-05-19
Release date:2021-04-14
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (3.51 Å)
Cite:Structure-Based Design of Selective LONP1 Inhibitors for Probing In Vitro Biology.
J.Med.Chem., 64, 2021
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
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
2ETM
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BU of 2etm by Molmil
Crystal Structure of Focal Adhesion Kinase Domain Complexed with 7H-Pyrrolo [2,3-d] pyrimidine Derivative
Descriptor: 7-PYRIDIN-2-YL-N-(3,4,5-TRIMETHOXYPHENYL)-7H-PYRROLO[2,3-D]PYRIMIDIN-2-AMINE, Focal adhesion kinase 1
Authors:Lee, C.C.
Deposit date:2005-10-27
Release date:2006-10-10
Last modified:2023-08-23
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Crystal Structure of Focal Adhesion Kinase Domain Complexed with ATP and novel 7H-Pyrrolo [2,3-d] pyrimidine scaffolds
To be Published
3W9E
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BU of 3w9e by Molmil
Structure of Human Monoclonal Antibody E317 Fab Complex with HSV-2 gD
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Antibody Fab heavy chain, Antibody Fab light chain, ...
Authors:Lee, C.C, Lin, L.L, Wang, A.H.J.
Deposit date:2013-04-03
Release date:2013-10-02
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Structural basis for the antibody neutralization of herpes simplex virus
Acta Crystallogr.,Sect.D, 69, 2013
3W9D
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BU of 3w9d by Molmil
Structure of Human Monoclonal Antibody E317 Fab
Descriptor: Antibody Fab heavy chain, Antibody Fab light chain
Authors:Lee, C.C, Lin, L.L, Wang, A.H.J.
Deposit date:2013-04-03
Release date:2013-10-02
Last modified:2021-04-28
Method:X-RAY DIFFRACTION (2.32 Å)
Cite:Structural basis for the antibody neutralization of herpes simplex virus
Acta Crystallogr.,Sect.D, 69, 2013
1J7J
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BU of 1j7j by Molmil
Crystal Structure of the HPRT from Salmonella typhimurium
Descriptor: MAGNESIUM ION, hypoxanthine phosphoribosyltransferase
Authors:Lee, C.C, Focia, P.J, Spraggon, G, Eakin, A.E.
Deposit date:2001-05-16
Release date:2003-07-29
Last modified:2023-08-16
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Crystal Structure of the HPRT from Salmonella Typhimurium at 2.3 A Resolution
To be Published
1ZLT
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BU of 1zlt by Molmil
Crystal Structure of Chk1 Complexed with a Hymenaldisine Analog
Descriptor: (4Z)-4-(2-AMINO-5-OXO-3,5-DIHYDRO-4H-IMIDAZOL-4-YLIDENE)-2,3-DICHLORO-4,5,6,7-TETRAHYDROPYRROLO[2,3-C]AZEPIN-8(1H)-ONE, SULFATE ION, Serine/threonine-protein kinase Chk1
Authors:Lee, C.C, Ng, K, Wan, Y, Gray, N, Spraggon, G.
Deposit date:2005-05-09
Release date:2006-06-27
Last modified:2023-08-23
Method:X-RAY DIFFRACTION (1.74 Å)
Cite:Crystal Structure of Chk1 Complexed with a Hymenaldisine Analog
To be Published
5HXN
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BU of 5hxn by Molmil
Crystal Structure of Z,Z-Farnesyl Diphosphate Synthase (D71M and E75A mutants) from the Wild Tomato Solanum habrochaites
Descriptor: (2Z,6Z)-farnesyl diphosphate synthase, chloroplastic
Authors:Lee, C.C, Chan, Y.T, Wang, A.H.J.
Deposit date:2016-01-31
Release date:2017-04-05
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.05 Å)
Cite:Crystal Structure and Potential Head-to-Middle Condensation Function of aZ,Z-Farnesyl Diphosphate Synthase.
Acs Omega, 2, 2017
5HXO
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BU of 5hxo by Molmil
Crystal Structure of Z,Z-Farnesyl Diphosphate Synthase with D71M, E75A and H103Y Mutants
Descriptor: (2Z,6Z)-farnesyl diphosphate synthase, chloroplastic
Authors:Lee, C.C, Chan, Y.T, Wang, A.H.J.
Deposit date:2016-01-31
Release date:2017-04-05
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.05 Å)
Cite:Crystal Structure and Potential Head-to-Middle Condensation Function of aZ,Z-Farnesyl Diphosphate Synthase.
Acs Omega, 2, 2017
5HXT
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BU of 5hxt by Molmil
Crystal Structure of Z,Z-Farnesyl Diphosphate Synthase (D71M, E75A and H103Y Mutants) Complexed with IPP and DMSPP
Descriptor: (2Z,6Z)-farnesyl diphosphate synthase, chloroplastic, 1,4,7,10,13,16-HEXAOXACYCLOOCTADECANE, ...
Authors:Lee, C.C, Chan, Y.T, Wang, A.H.J.
Deposit date:2016-01-31
Release date:2017-04-05
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.15 Å)
Cite:Crystal Structure and Potential Head-to-Middle Condensation Function of a Z,Z-Farnesyl Diphosphate Synthase
Acs Omega, 2, 2017
5HXQ
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BU of 5hxq by Molmil
Crystal Structure of Z,Z-Farnesyl Diphosphate Synthase (D71M, E75A and H103Y Mutants) Complexed with DMSPP
Descriptor: (2Z,6Z)-farnesyl diphosphate synthase, chloroplastic, 1,4,7,10,13,16-HEXAOXACYCLOOCTADECANE, ...
Authors:Lee, C.C, Chan, Y.T, Wang, A.H.J.
Deposit date:2016-01-31
Release date:2017-04-05
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Crystal Structure and Potential Head-to-Middle Condensation Function of a Z,Z-Farnesyl Diphosphate Synthase
Acs Omega, 2, 2017
5HXP
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BU of 5hxp by Molmil
Crystal Structure of Z,Z-Farnesyl Diphosphate Synthase (D71M, E75A and H103Y Mutants) Complexed with IPP
Descriptor: (2Z,6Z)-farnesyl diphosphate synthase, chloroplastic, 1,4,7,10,13,16-HEXAOXACYCLOOCTADECANE, ...
Authors:Lee, C.C, Chan, Y.T, Wang, A.H.J.
Deposit date:2016-01-31
Release date:2017-04-05
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Crystal Structure and Potential Head-to-Middle Condensation Function of aZ,Z-Farnesyl Diphosphate Synthase.
Acs Omega, 2, 2017
5XHV
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BU of 5xhv by Molmil
Crystal Structure Of Fab S40 In Complex With Influenza Hemagglutinin, HA1 subunit.
Descriptor: Hemagglutinin, S40 heavy chain, S40 light chain
Authors:Lee, C.C, Wang, A.H.J, Yu, C.M, Yang, A.S.
Deposit date:2017-04-24
Release date:2017-11-15
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (3.35 Å)
Cite:High throughput discovery of influenza virus neutralizing antibodies from phage-displayed synthetic antibody libraries.
Sci Rep, 7, 2017
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
4PX6
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BU of 4px6 by Molmil
SYK catalytic domain in complex with a potent pyridopyrimidinone inhibitor
Descriptor: 7-{[(1R,2S)-2-aminocyclohexyl]amino}-5-(1H-indol-7-ylamino)pyrido[4,3-d]pyrimidin-4(3H)-one, Tyrosine-protein kinase SYK
Authors:Lee, C.C.
Deposit date:2014-03-21
Release date:2014-04-23
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Syk inhibitors with high potency in presence of blood.
Bioorg.Med.Chem.Lett., 24, 2014
3Q6N
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BU of 3q6n by Molmil
Crystal Structure of Human MC-HSP90 in P21 space group
Descriptor: Heat shock protein HSP 90-alpha, SULFATE ION
Authors:Lee, C.C, Lin, T.W, Ko, T.P, Wang, A.H.-J.
Deposit date:2011-01-03
Release date:2011-06-01
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (3.05 Å)
Cite:The hexameric structures of human heat shock protein 90
Plos One, 6, 2011
3Q6M
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BU of 3q6m by Molmil
Crystal Structure of Human MC-HSP90 in C2221 Space Group
Descriptor: Heat shock protein HSP 90-alpha, SULFATE ION
Authors:Lee, C.C, Lin, T.W, Ko, T.P, Wang, A.H.-J.
Deposit date:2011-01-03
Release date:2011-06-01
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (3 Å)
Cite:The hexameric structures of human heat shock protein 90
Plos One, 6, 2011
4ZB1
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BU of 4zb1 by Molmil
Crystal Structure of Blue Chromoprotein sgBP from Stichodactyla Gigantea
Descriptor: 2-[2-(2-METHOXY-ETHOXY)-ETHOXY]-ETHOXYL, Blue chromoprotein, sgBP
Authors:Lee, C.C, Ching, C.Y, Tsai, H.J, Wang, A.H.J.
Deposit date:2015-04-14
Release date:2015-08-12
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (2.25 Å)
Cite:Chromophore Deprotonation State Alters the Optical Properties of Blue Chromoprotein
Plos One, 10, 2015
5CY3
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BU of 5cy3 by Molmil
SYK catalytic domain complexed with a potent and orally bioavailable benzisothiazole inhibitor
Descriptor: (5R)-5-[(1R)-1-{[6-(1-methyl-1H-pyrazol-4-yl)-2,1-benzothiazol-4-yl]oxy}ethyl]-1,3-oxazolidin-2-one, Tyrosine-protein kinase SYK
Authors:Lee, C.C.
Deposit date:2015-07-30
Release date:2015-09-23
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (1.76 Å)
Cite:Orally bioavailable Syk inhibitors with activity in a rat PK/PD model.
Bioorg.Med.Chem.Lett., 25, 2015
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
7C8T
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BU of 7c8t by Molmil
Complex Structure of SARS-CoV-2 3CL Protease with TG-0205221
Descriptor: 3C-like proteinase, N-[(BENZYLOXY)CARBONYL]-O-(TERT-BUTYL)-L-THREONYL-3-CYCLOHEXYL-N-[(1S)-2-HYDROXY-1-{[(3S)-2-OXOPYRROLIDIN-3-YL]METHYL}ETHYL]-L-ALANINAMIDE
Authors:Lee, C.C, Wang, A.H.J, Kuo, C.J, Liang, P.H.
Deposit date:2020-06-03
Release date:2020-06-17
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.05 Å)
Cite:Complex Structures and Cellular Activities of the Potent SARS-CoV-2 3CLpro Inhibitors Guiding Drug Discovery Against COVID-19
To Be Published
7CGA
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BU of 7cga by Molmil
Crystal structure of human unphosphorylated p38gamma
Descriptor: Mitogen-activated protein kinase 12
Authors:Lee, C.C, Hsu, S.F, Chen, K.E, Wang, A.H.J, Meng, T.C.
Deposit date:2020-06-30
Release date:2021-06-30
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (3.15 Å)
Cite:Structural basis for allosteric regulation of protein tyrosine phosphatase PTPN3 by unphosphorylated MAP kinase p38g
To be published

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