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4RNN
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BU of 4rnn by Molmil
Crystal structure of human polymerase eta inserting dGMPnPP opposite DNA template containing an abasic site
Descriptor: 2'-deoxy-5'-O-[(R)-hydroxy{[(R)-hydroxy(phosphonooxy)phosphoryl]amino}phosphoryl]guanosine, DNA polymerase eta, GLYCEROL, ...
Authors:Patra, A, Egli, M.
Deposit date:2014-10-24
Release date:2015-02-18
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.808 Å)
Cite:Structural and Kinetic Analysis of Nucleoside Triphosphate Incorporation Opposite an Abasic Site by Human Translesion DNA Polymerase eta.
J.Biol.Chem., 290, 2015
4Q9L
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BU of 4q9l by Molmil
P-glycoprotein cocrystallised with QZ-Phe
Descriptor: (30F)F(30F)F(30F)F Peptide, Multidrug resistance protein 1A
Authors:McGrath, A.P, Szewczyk, P, Chang, G.
Deposit date:2014-05-01
Release date:2015-03-04
Last modified:2024-07-10
Method:X-RAY DIFFRACTION (3.8 Å)
Cite:Snapshots of ligand entry, malleable binding and induced helical movement in P-glycoprotein.
Acta Crystallogr.,Sect.D, 71, 2015
4QED
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BU of 4qed by Molmil
ElxO Y152F with NADPH Bound
Descriptor: ElxO, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, SULFATE ION
Authors:Garg, N, Nair, S.K.
Deposit date:2014-05-15
Release date:2014-07-02
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Substrate Specificity of the Lanthipeptide Peptidase ElxP and the Oxidoreductase ElxO.
Acs Chem.Biol., 9, 2014
4OK5
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BU of 4ok5 by Molmil
Crystal Structure of Hepatitis C Virus NS3 Helicase Inhibitor Co-complex with Compound 9 [1-(3-ethynylbenzyl)-1H-indol-3-yl]acetic acid]
Descriptor: CALCIUM ION, Serine protease NS3, [1-(3-ethynylbenzyl)-1H-indol-3-yl]acetic acid
Authors:Padyana, A.K.
Deposit date:2014-01-21
Release date:2014-03-05
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.15 Å)
Cite:Integrated strategies for identifying leads that target the NS3 helicase of the hepatitis C virus.
J.Med.Chem., 57, 2014
4P0O
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BU of 4p0o by Molmil
Cleaved Serpin 42Da
Descriptor: Serine protease inhibitor 4, isoform B
Authors:Ellisdon, A.M, Whisstock, J.C.
Deposit date:2014-02-21
Release date:2014-05-07
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:High resolution structure of cleaved Serpin 42 Da from Drosophila melanogaster.
Bmc Struct.Biol., 14, 2014
4MT4
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BU of 4mt4 by Molmil
Crystal structure of the Campylobacter jejuni CmeC outer membrane channel
Descriptor: (2S)-1-(pentanoyloxy)propan-2-yl hexanoate, (HYDROXYETHYLOXY)TRI(ETHYLOXY)OCTANE, CmeC, ...
Authors:Su, C.-C, Yu, E.W.
Deposit date:2013-09-19
Release date:2014-09-24
Last modified:2014-10-01
Method:X-RAY DIFFRACTION (2.373 Å)
Cite:Crystal structure of the Campylobacter jejuni CmeC outer membrane channel.
Protein Sci., 23, 2014
7LB7
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BU of 7lb7 by Molmil
Joint X-ray/neutron structure of SARS-CoV-2 main protease (3CL Mpro) in complex with Telaprevir
Descriptor: (1S,3aR,6aS)-2-[(2S)-2-({(2S)-2-cyclohexyl-2-[(pyrazin-2-ylcarbonyl)amino]acetyl}amino)-3,3-dimethylbutanoyl]-N-[(2R,3S)-1-(cyclopropylamino)-2-hydroxy-1-oxohexan-3-yl]octahydrocyclopenta[c]pyrrole-1-carboxamide, 3C-like proteinase
Authors:Kovalevsky, A.Y, Kneller, D.W, Coates, L.
Deposit date:2021-01-07
Release date:2021-01-20
Last modified:2024-04-03
Method:NEUTRON DIFFRACTION (2 Å), X-RAY DIFFRACTION
Cite:Direct Observation of Protonation State Modulation in SARS-CoV-2 Main Protease upon Inhibitor Binding with Neutron Crystallography.
J.Med.Chem., 64, 2021
4P0F
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BU of 4p0f by Molmil
Cleaved Serpin 42Da (C 2 2 21)
Descriptor: Serine protease inhibitor 4, isoform B
Authors:Ellisdon, A.M, Whisstock, J.C.
Deposit date:2014-02-21
Release date:2014-05-07
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:High resolution structure of cleaved Serpin 42 Da from Drosophila melanogaster.
Bmc Struct.Biol., 14, 2014
4OJQ
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BU of 4ojq by Molmil
Crystal Structure of Hepatitis C Virus NS3 Helicase Inhibitor Co-complex with Fragment 1 [(5-bromo-1H-indol-3-yl)acetic acid]
Descriptor: (5-bromo-1H-indol-3-yl)acetic acid, CALCIUM ION, Serine protease NS3
Authors:Padyana, A.K.
Deposit date:2014-01-21
Release date:2014-03-05
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.25 Å)
Cite:Integrated strategies for identifying leads that target the NS3 helicase of the hepatitis C virus.
J.Med.Chem., 57, 2014
4RNM
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BU of 4rnm by Molmil
Crystal structure of human polymerase eta inserting dAMPnPP opposite DNA template containing an abasic site
Descriptor: 2'-deoxy-5'-O-[(R)-hydroxy{[(R)-hydroxy(phosphonooxy)phosphoryl]amino}phosphoryl]adenosine, DNA Primar: AGCGTCAT, DNA Template: CAT(3DR)ATGACGCT, ...
Authors:Patra, A, Egli, M.
Deposit date:2014-10-24
Release date:2015-02-18
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.144 Å)
Cite:Structural and Kinetic Analysis of Nucleoside Triphosphate Incorporation Opposite an Abasic Site by Human Translesion DNA Polymerase eta.
J.Biol.Chem., 290, 2015
4NRM
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BU of 4nrm by Molmil
Crystal structure of human ALKBH5 in complex with citrate and acetate
Descriptor: ACETATE ION, CITRATE ANION, RNA demethylase ALKBH5
Authors:Feng, C, Chen, Z, Liu, Y.
Deposit date:2013-11-27
Release date:2014-03-19
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.17 Å)
Cite:Crystal structures of the human RNA demethylase Alkbh5 reveal basis for substrate recognition
J.Biol.Chem., 289, 2014
4RQL
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BU of 4rql by Molmil
Crystal structure of a human cytochrome P450 2B6 (Y226H/K262R) in complex with a monoterpene - sabinene
Descriptor: 1,2-ETHANEDIOL, 5-CYCLOHEXYL-1-PENTYL-BETA-D-MALTOSIDE, Cytochrome P450 2B6, ...
Authors:Shah, M.B.
Deposit date:2014-11-03
Release date:2015-01-28
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.105 Å)
Cite:Structural and Biophysical Characterization of Human Cytochromes P450 2B6 and 2A6 Bound to Volatile Hydrocarbons: Analysis and Comparison.
Mol.Pharmacol., 87, 2015
4Q9I
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BU of 4q9i by Molmil
P-glycoprotein cocrystallised with QZ-Ala
Descriptor: (30F)A(30F)A(30F)A Peptide, Multidrug resistance protein 1A
Authors:McGrath, A.P, Szewczyk, P, Chang, G.
Deposit date:2014-05-01
Release date:2015-03-04
Last modified:2024-07-10
Method:X-RAY DIFFRACTION (3.781 Å)
Cite:Snapshots of ligand entry, malleable binding and induced helical movement in P-glycoprotein.
Acta Crystallogr.,Sect.D, 71, 2015
4RRT
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BU of 4rrt by Molmil
Crystal structure of a human cytochrome P450 2B6 (Y226H/K262R) in complex with (+)-3-carene
Descriptor: (+)-3-carene, 5-CYCLOHEXYL-1-PENTYL-BETA-D-MALTOSIDE, Cytochrome P450 2B6, ...
Authors:Shah, M.B.
Deposit date:2014-11-06
Release date:2015-01-28
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Structural and Biophysical Characterization of Human Cytochromes P450 2B6 and 2A6 Bound to Volatile Hydrocarbons: Analysis and Comparison.
Mol.Pharmacol., 87, 2015
4RNO
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BU of 4rno by Molmil
Crystal structure of human polymerase eta extending an abasic site-dA pair by inserting dCTP opposite template G
Descriptor: 2'-DEOXYCYTIDINE-5'-TRIPHOSPHATE, CALCIUM ION, DNA polymerase eta, ...
Authors:Patra, A, Egli, M.
Deposit date:2014-10-24
Release date:2015-02-18
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.82 Å)
Cite:Structural and Kinetic Analysis of Nucleoside Triphosphate Incorporation Opposite an Abasic Site by Human Translesion DNA Polymerase eta.
J.Biol.Chem., 290, 2015
4RUI
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BU of 4rui by Molmil
Crystal structure of a cytochrome P450 2A6 in complex with a monoterpene - sabinene.
Descriptor: Cytochrome P450 2A6, PROTOPORPHYRIN IX CONTAINING FE, Sabinene
Authors:Shah, M.B, Stout, C.D, Halpert, J.R.
Deposit date:2014-11-19
Release date:2015-01-28
Last modified:2024-05-22
Method:X-RAY DIFFRACTION (2.61 Å)
Cite:Structural and Biophysical Characterization of Human Cytochromes P450 2B6 and 2A6 Bound to Volatile Hydrocarbons: Analysis and Comparison.
Mol.Pharmacol., 87, 2015
4O3P
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BU of 4o3p by Molmil
Crystal structure of human polymerase eta inserting dctp opposite an 8-oxog containing dna template
Descriptor: 2'-deoxy-5'-O-[(R)-hydroxy{[(R)-hydroxy(phosphonooxy)phosphoryl]amino}phosphoryl]cytidine, DNA (5'-D(*AP*GP*CP*GP*TP*CP*AP*T)-3'), DNA (5'-D(*CP*AP*TP*(8OG)P*AP*TP*GP*AP*CP*GP*CP*T)-3'), ...
Authors:Patra, A, Egli, M.
Deposit date:2013-12-18
Release date:2014-04-30
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.72 Å)
Cite:Kinetics, Structure, and Mechanism of 8-Oxo-7,8-dihydro-2'-deoxyguanosine Bypass by Human DNA Polymerase eta
J.Biol.Chem., 289, 2014
4NRO
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BU of 4nro by Molmil
Crystal structure of human ALKBH5 in complex with alpha-ketoglutarate
Descriptor: 2-OXOGLUTARIC ACID, MANGANESE (II) ION, RNA demethylase ALKBH5
Authors:Feng, C, Chen, Z, Liu, Y.
Deposit date:2013-11-27
Release date:2014-03-19
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Crystal structures of the human RNA demethylase Alkbh5 reveal basis for substrate recognition
J.Biol.Chem., 289, 2014
4NRQ
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BU of 4nrq by Molmil
Crystal structure of human ALKBH5 in complex with pyridine-2,4-dicarboxylate
Descriptor: MANGANESE (II) ION, PYRIDINE-2,4-DICARBOXYLIC ACID, RNA demethylase ALKBH5
Authors:Feng, C, Chen, Z, Liu, Y.
Deposit date:2013-11-27
Release date:2014-03-19
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Crystal structures of the human RNA demethylase Alkbh5 reveal basis for substrate recognition
J.Biol.Chem., 289, 2014
4O3Q
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BU of 4o3q by Molmil
Crystal structure of human polymerase eta inserting dgtp opposite an 8-oxog containing dna template
Descriptor: 2'-deoxy-5'-O-[(R)-hydroxy{[(R)-hydroxy(phosphonooxy)phosphoryl]amino}phosphoryl]guanosine, DNA (5'-D(*AP*GP*CP*GP*TP*CP*AP*T)-3'), DNA (5'-D(*CP*AP*TP*(8OG)P*AP*TP*GP*AP*CP*GP*CP*T)-3'), ...
Authors:Patra, A, Egli, M.
Deposit date:2013-12-18
Release date:2014-04-30
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.72 Å)
Cite:Kinetics, Structure, and Mechanism of 8-Oxo-7,8-dihydro-2'-deoxyguanosine Bypass by Human DNA Polymerase eta
J.Biol.Chem., 289, 2014
4O3N
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BU of 4o3n by Molmil
Crystal structure of human dna polymerase eta in ternary complex with native dna and incoming nucleotide (dcp)
Descriptor: 2'-deoxy-5'-O-[(R)-hydroxy{[(R)-hydroxy(phosphonooxy)phosphoryl]amino}phosphoryl]cytidine, DNA (5'-D(*AP*GP*CP*GP*TP*CP*AP*T)-3'), DNA (5'-D(*CP*AP*TP*GP*AP*TP*GP*AP*CP*GP*CP*T)-3'), ...
Authors:Patra, A, Egli, M.
Deposit date:2013-12-18
Release date:2014-04-30
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.579 Å)
Cite:Kinetics, Structure, and Mechanism of 8-Oxo-7,8-dihydro-2'-deoxyguanosine Bypass by Human DNA Polymerase eta
J.Biol.Chem., 289, 2014
4NRP
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BU of 4nrp by Molmil
Crystal structure of human ALKBH5 in complex with N-oxalylglycine
Descriptor: MANGANESE (II) ION, N-OXALYLGLYCINE, RNA demethylase ALKBH5
Authors:Feng, C, Chen, Z, Liu, Y.
Deposit date:2013-11-27
Release date:2014-03-19
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Crystal structures of the human RNA demethylase Alkbh5 reveal basis for substrate recognition
J.Biol.Chem., 289, 2014
4O3R
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BU of 4o3r by Molmil
Crystal structure of human polymerase eta extending an 8-oxog dna lesion: post insertion of 8-oxog-da pair
Descriptor: 2'-deoxy-5'-O-[(R)-hydroxy{[(R)-hydroxy(phosphonooxy)phosphoryl]amino}phosphoryl]cytidine, DNA (5'-D(*AP*GP*CP*GP*TP*CP*AP*A)-3'), DNA (5'-D(*CP*AP*TP*GP*(8OG)P*TP*GP*AP*CP*GP*CP*T)-3'), ...
Authors:Patra, A, Egli, M.
Deposit date:2013-12-18
Release date:2014-04-30
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.62 Å)
Cite:Kinetics, Structure, and Mechanism of 8-Oxo-7,8-dihydro-2'-deoxyguanosine Bypass by Human DNA Polymerase eta
J.Biol.Chem., 289, 2014
6WQD
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BU of 6wqd by Molmil
The 1.95 A Crystal Structure of the Co-factor Complex of NSP7 and the C-terminal Domain of NSP8 from SARS-CoV-2
Descriptor: 1,2-ETHANEDIOL, Non-structural protein 7, Non-structural protein 8
Authors:Kim, Y, Wilamowski, M, Jedrzejczak, R, Maltseva, N, Endres, M, Godzik, A, Michalska, K, Joachimiak, A, Center for Structural Genomics of Infectious Diseases (CSGID)
Deposit date:2020-04-28
Release date:2020-05-06
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Transient and stabilized complexes of Nsp7, Nsp8, and Nsp12 in SARS-CoV-2 replication.
Biophys.J., 120, 2021
6U4Y
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BU of 6u4y by Molmil
Crystal Structure of an EZH2-EED Complex in an Oligomeric State
Descriptor: Histone-lysine N-methyltransferase EZH2, Polycomb protein EED
Authors:Jiao, L, Liu, X.
Deposit date:2019-08-26
Release date:2020-07-08
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (2.91 Å)
Cite:A partially disordered region connects gene repression and activation functions of EZH2.
Proc.Natl.Acad.Sci.USA, 117, 2020

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PDB entries from 2024-07-10

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