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5AAA
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BU of 5aaa by Molmil
Structure of L1198F Mutant Human Anaplastic Lymphoma Kinase in Complex with Crizotinib
Descriptor: 3-[(1R)-1-(2,6-dichloro-3-fluorophenyl)ethoxy]-5-(1-piperidin-4-yl-1H-pyrazol-4-yl)pyridin-2-amine, ALK TYROSINE KINASE RECEPTOR
Authors:McTigue, M, Deng, Y, Liu, W, Brooun, A, Stewart, A.
Deposit date:2015-07-23
Release date:2016-06-08
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.73 Å)
Cite:Resensitization to Crizotinib by the Lorlatinib Alk Resistance Mutation L1198F.
N.Engl.J.Med., 374, 2016
5AAB
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BU of 5aab by Molmil
Structure of C1156Y,L1198F Mutant Human Anaplastic Lymphoma Kinase in Complex with Crizotinib
Descriptor: 3-[(1R)-1-(2,6-dichloro-3-fluorophenyl)ethoxy]-5-(1-piperidin-4-yl-1H-pyrazol-4-yl)pyridin-2-amine, ALK TYROSINE KINASE RECEPTOR
Authors:McTigue, M, Deng, Y, Liu, W, Brooun, A, Stewart, A.
Deposit date:2015-07-23
Release date:2016-06-08
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Resensitization to Crizotinib by the Lorlatinib Alk Resistance Mutation L1198F.
N.Engl.J.Med., 374, 2016
2YJR
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BU of 2yjr by Molmil
Structure of F1174L Mutant Anaplastic Lymphoma Kinase
Descriptor: ALK TYROSINE KINASE RECEPTOR
Authors:McTigue, M, Deng, Y, Liu, W, Brooun, A.
Deposit date:2011-05-23
Release date:2012-06-06
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Structure of F1174L Mutant Anaplastic Lymphoma Kinase
To be Published
2YHV
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BU of 2yhv by Molmil
Structure of L1196M Mutant Anaplastic Lymphoma Kinase
Descriptor: ALK TYROSINE KINASE RECEPTOR
Authors:McTigue, M, Deng, Y, Liu, W, Brooun, A.
Deposit date:2011-05-06
Release date:2011-05-18
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Design of Potent and Selective Inhibitors to Overcome Clinical Anaplastic Lymphoma Kinase Mutations Resistant to Crizotinib.
J.Med.Chem., 57, 2014
2YJS
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BU of 2yjs by Molmil
Structure of C1156Y Mutant Anaplastic Lymphoma Kinase
Descriptor: ALK TYROSINE KINASE RECEPTOR
Authors:McTigue, M, Deng, Y, Liu, W, Brooun, A.
Deposit date:2011-05-23
Release date:2012-06-06
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Structure of C1156Y Mutant Anaplastic Lymphoma Kinase
To be Published
2YFX
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BU of 2yfx by Molmil
Structure of L1196M Mutant Anaplastic Lymphoma Kinase in Complex with Crizotinib
Descriptor: 3-[(1R)-1-(2,6-dichloro-3-fluorophenyl)ethoxy]-5-(1-piperidin-4-yl-1H-pyrazol-4-yl)pyridin-2-amine, TYROSINE-PROTEIN KINASE RECEPTOR
Authors:McTigue, M, Deng, Y, Liu, W, Brooun, A.
Deposit date:2011-04-08
Release date:2011-05-04
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Design of Potent and Selective Inhibitors to Overcome Clinical Anaplastic Lymphoma Kinase Mutations Resistant to Crizotinib.
J.Med.Chem., 57, 2014
5WSV
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BU of 5wsv by Molmil
Crystal structure of Myosin VIIa IQ5 in complex with Ca2+-CaM
Descriptor: CALCIUM ION, Calmodulin, SULFATE ION, ...
Authors:Li, J, Chen, Y, Deng, Y, Lu, Q, Zhang, M.
Deposit date:2016-12-08
Release date:2017-06-07
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.33 Å)
Cite:Ca(2+)-Induced Rigidity Change of the Myosin VIIa IQ Motif-Single alpha Helix Lever Arm Extension
Structure, 25, 2017
5WST
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BU of 5wst by Molmil
Crystal structure of Myo7a SAH
Descriptor: Unconventional myosin-VIIa
Authors:Li, J, Chen, Y, Deng, Y, Lu, Q, Zhang, M.
Deposit date:2016-12-08
Release date:2017-06-07
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Ca(2+)-Induced Rigidity Change of the Myosin VIIa IQ Motif-Single alpha Helix Lever Arm Extension
Structure, 25, 2017
7VTR
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BU of 7vtr by Molmil
3-ketoacyl-CoA thiolase Tfu_0875
Descriptor: Thiolase
Authors:Liu, L.X, Zhou, S.H, Deng, Y.
Deposit date:2021-10-30
Release date:2022-11-02
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.93 Å)
Cite:Rational Design of the Substrate Tunnel of beta-Ketothiolase Reveals a Local Cationic Domain Modulated Rule that Improves the Efficiency of Claisen Condensation
Acs Catalysis, 13, 2023
7W0J
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BU of 7w0j by Molmil
Acyl-CoA dehydrogenase, Tfu_1647
Descriptor: Acyl-CoA dehydrogenase, [[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl] [(2R,3S,4S)-5-azanyl-2,3,4-tris(oxidanyl)pentyl] hydrogen phosphate
Authors:Liu, L.X, Zhou, S.H, Deng, Y.
Deposit date:2021-11-18
Release date:2022-11-23
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (3.13 Å)
Cite:Crystal structure of an Acyl-CoA dehydrogenase Tfu_1647
To Be Published
7KD7
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BU of 7kd7 by Molmil
Crystal structure of human NatD (NAA40) bound to a bisubstrate analogue
Descriptor: 2-[BIS-(2-HYDROXY-ETHYL)-AMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, AMINO GROUP, CARBOXYMETHYL COENZYME *A, ...
Authors:Deng, S, Marmorstein, R.
Deposit date:2020-10-08
Release date:2021-06-16
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.44 Å)
Cite:Novel Bisubstrate Inhibitors for Protein N-Terminal Acetyltransferase D.
J.Med.Chem., 64, 2021
7KPU
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BU of 7kpu by Molmil
Crystal structure of human NatD (NAA40) bound to a bisubstrate analogue with a C-3 linker
Descriptor: 2-[BIS-(2-HYDROXY-ETHYL)-AMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, ACETYL GROUP, AMINO GROUP, ...
Authors:Deng, S, Marmorstein, R.
Deposit date:2020-11-12
Release date:2021-06-16
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.43 Å)
Cite:Novel Bisubstrate Inhibitors for Protein N-Terminal Acetyltransferase D.
J.Med.Chem., 64, 2021
6DAM
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BU of 6dam by Molmil
Crystal structure of lanthanide-dependent methanol dehydrogenase XoxF from Methylomicrobium buryatense 5G
Descriptor: LANTHANUM (III) ION, Lanthanide-dependent methanol dehydrogenase XoxF, PYRROLOQUINOLINE QUINONE, ...
Authors:Deng, Y, Ro, S.Y, Rosenzweig, A.C.
Deposit date:2018-05-01
Release date:2018-09-05
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Structure and function of the lanthanide-dependent methanol dehydrogenase XoxF from the methanotroph Methylomicrobium buryatense 5GB1C.
J. Biol. Inorg. Chem., 23, 2018
2NRN
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BU of 2nrn by Molmil
Self-assembly of coiled-coil tetramers in the 1.40 A structure of a leucine-zipper mutant
Descriptor: General control protein GCN4, PHOSPHATE ION
Authors:Liu, J, Lu, M.
Deposit date:2006-11-02
Release date:2007-04-17
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (1.4 Å)
Cite:Self-assembly of coiled-coil tetramers in the 1.40 A structure of a leucine-zipper mutant.
Protein Sci., 16, 2007
4NJ3
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BU of 4nj3 by Molmil
Modulating the interaction between CDK2 and Cyclin A with a Quinoline-based inhibitor
Descriptor: 6-(3-chlorophenyl)-2-{[(2S)-3-(4-hydroxyphenyl)-1-methoxy-1-oxopropan-2-yl]carbamoyl}quinoline-4-carboxylic acid, Cyclin-dependent kinase 2
Authors:Fischmann, T.O, Hruza, A.W.
Deposit date:2013-11-08
Release date:2013-11-27
Last modified:2014-01-08
Method:X-RAY DIFFRACTION (1.848 Å)
Cite:Modulating the interaction between CDK2 and cyclin A with a quinoline-based inhibitor.
Bioorg.Med.Chem.Lett., 24, 2014
3CK4
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BU of 3ck4 by Molmil
A heterospecific leucine zipper tetramer
Descriptor: GCN4 leucine zipper, MAGNESIUM ION
Authors:Liu, J.
Deposit date:2008-03-14
Release date:2008-10-07
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:A heterospecific leucine zipper tetramer.
Chem.Biol., 15, 2008
3CRP
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BU of 3crp by Molmil
A heterospecific leucine zipper tetramer
Descriptor: GCN4 leucine zipper, SODIUM ION
Authors:Liu, J.
Deposit date:2008-04-07
Release date:2008-10-07
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:A heterospecific leucine zipper tetramer.
Chem.Biol., 15, 2008
7EN0
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BU of 7en0 by Molmil
Structure and Activity of SLAC1 Channels for Stomatal Signaling in Leaves
Descriptor: DIUNDECYL PHOSPHATIDYL CHOLINE, SLow Anion Channel 1, SPHINGOSINE
Authors:Deng, Y, Kashtoh, H, Wang, Q, Zhen, G, Li, Q, Tang, L, Gao, H, Zhang, C, Qin, L, Su, M, Li, F, Huang, X, Wang, Y, Xie, Q, Clarke, O.B, Hendrickson, W.A, Chen, Y.
Deposit date:2021-04-15
Release date:2021-05-19
Method:ELECTRON MICROSCOPY (2.97 Å)
Cite:Structure and activity of SLAC1 channels for stomatal signaling in leaves.
Proc.Natl.Acad.Sci.USA, 118, 2021
7BYR
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BU of 7byr by Molmil
BD23-Fab in complex with the S ectodomain trimer
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Ab23-Fab-Heavy Chain, ...
Authors:Zhu, Q, Wang, G, Xiao, J.
Deposit date:2020-04-24
Release date:2020-06-10
Last modified:2021-03-10
Method:ELECTRON MICROSCOPY (3.84 Å)
Cite:Potent Neutralizing Antibodies against SARS-CoV-2 Identified by High-Throughput Single-Cell Sequencing of Convalescent Patients' B Cells.
Cell, 182, 2020
4W2R
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BU of 4w2r by Molmil
Structure of Hs/AcPRC2 in complex with 5,8-dichloro-2-[(4-methoxy-6-methyl-2-oxo-1,2-dihydropyridin-3-yl)methyl]-7-[(R)-methoxy(oxetan-3-yl)methyl]-3,4-dihydroisoquinolin-1(2H)-one
Descriptor: 5,8-dichloro-2-[(4-methoxy-6-methyl-2-oxo-1,2-dihydropyridin-3-yl)methyl]-7-[(R)-methoxy(oxetan-3-yl)methyl]-3,4-dihydroisoquinolin-1(2H)-one, Enhancer of zeste 2 polycomb repressive complex 2 subunit, Polycomb protein EED, ...
Authors:Gajiwala, K.S, Brooun, A, Liu, W, Deng, Y, Stewart, A.E.
Deposit date:2017-09-25
Release date:2017-12-27
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.81 Å)
Cite:Optimization of Orally Bioavailable Enhancer of Zeste Homolog 2 (EZH2) Inhibitors Using Ligand and Property-Based Design Strategies: Identification of Development Candidate (R)-5,8-Dichloro-7-(methoxy(oxetan-3-yl)methyl)-2-((4-methoxy-6-methyl-2-oxo-1,2-dihydropyridin-3-yl)methyl)-3,4-dihydroisoquinolin-1(2H)-one (PF-06821497).
J. Med. Chem., 61, 2018
7BQY
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BU of 7bqy by Molmil
THE CRYSTAL STRUCTURE OF COVID-19 MAIN PROTEASE IN COMPLEX WITH AN INHIBITOR N3 at 1.7 angstrom
Descriptor: 3C-like proteinase, N-[(5-METHYLISOXAZOL-3-YL)CARBONYL]ALANYL-L-VALYL-N~1~-((1R,2Z)-4-(BENZYLOXY)-4-OXO-1-{[(3R)-2-OXOPYRROLIDIN-3-YL]METHYL}BUT-2-ENYL)-L-LEUCINAMIDE
Authors:Liu, X, Zhang, B, Jin, Z, Yang, H, Rao, Z.
Deposit date:2020-03-26
Release date:2020-04-22
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Structure of Mprofrom SARS-CoV-2 and discovery of its inhibitors.
Nature, 582, 2020
4Y5O
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BU of 4y5o by Molmil
CCM2 HHD in complex with MEKK3 NPB1
Descriptor: Malcavernin, Mitogen-activated protein kinase kinase kinase 3
Authors:Fisher, O.S, Boggon, T.J.
Deposit date:2015-02-11
Release date:2015-07-01
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.35 Å)
Cite:Structure and vascular function of MEKK3-cerebral cavernous malformations 2 complex.
Nat Commun, 6, 2015
8ZC3
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BU of 8zc3 by Molmil
SARS-CoV-2 Omicron BA.4 spike trimer (6P) in complex with 3 D1F6 Fabs (1 RBD up)
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Heavy chain of D1F6 Fab, ...
Authors:Liu, B, Gao, X, Li, Z, Chen, Q, He, J, Xiong, X.
Deposit date:2024-04-28
Release date:2024-05-15
Last modified:2024-05-22
Method:ELECTRON MICROSCOPY (4.69 Å)
Cite:An unconventional VH1-2 antibody tolerates escape mutations and shows an antigenic hotspot on SARS-CoV-2 spike
To be published
8ZC0
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BU of 8zc0 by Molmil
SARS-CoV-2 Omicron BA.2 spike trimer (6P) in complex with 3 D1F6 Fabs (2 RBD up)
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Heavy chain of D1F6 Fab, ...
Authors:Liu, B, Gao, X, Li, Z, Chen, Q, He, J, Xiong, X.
Deposit date:2024-04-28
Release date:2024-05-15
Method:ELECTRON MICROSCOPY (4.17 Å)
Cite:An unconventional VH1-2 antibody tolerates escape mutations and shows an antigenic hotspot on SARS-CoV-2 spike
To be published
8ZC1
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BU of 8zc1 by Molmil
SARS-CoV-2 Omicron BA.2 spike trimer (6P) in complex with D1F6 Fab, focused refinement of RBD region
Descriptor: Heavy chain of D1F6 Fab, Light chain of D1F6 Fab, Spike protein S1
Authors:Liu, B, Gao, X, Li, Z, Chen, Q, He, J, Xiong, X.
Deposit date:2024-04-28
Release date:2024-05-15
Method:ELECTRON MICROSCOPY (4.17 Å)
Cite:An unconventional VH1-2 antibody tolerates escape mutations and shows an antigenic hotspot on SARS-CoV-2 spike
To be published

220113

PDB entries from 2024-05-22

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