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6QX8
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BU of 6qx8 by Molmil
Influenza A virus (A/NT/60/1968) polymerase dimer of heterotrimer in complex with 5' cRNA promoter
Descriptor: Polymerase acidic protein, Polymerase basic protein 2, RNA (5'-R(P*AP*GP*CP*AP*AP*AP*AP*GP*CP*AP*GP*A)-3'), ...
Authors:Carrique, L, Keown, J.R, Fan, H, Fodor, E, Grimes, J.M.
Deposit date:2019-03-07
Release date:2019-09-04
Last modified:2024-05-15
Method:ELECTRON MICROSCOPY (4.07 Å)
Cite:Structures of influenza A virus RNA polymerase offer insight into viral genome replication.
Nature, 573, 2019
6QXE
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BU of 6qxe by Molmil
Influenza A virus (A/NT/60/1968) polymerase dimer of hetermotrimer in complex with 3'5' cRNA promoter and Nb8205
Descriptor: Nb8205, Polymerase acidic protein, Polymerase basic protein 2, ...
Authors:Carrique, L, Keown, J.R, Fan, H, Fodor, E, Grimes, J.M.
Deposit date:2019-03-07
Release date:2019-09-04
Last modified:2020-11-18
Method:ELECTRON MICROSCOPY (4.15 Å)
Cite:Structures of influenza A virus RNA polymerase offer insight into viral genome replication.
Nature, 573, 2019
3ZF2
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BU of 3zf2 by Molmil
Phage dUTPases control transfer of virulence genes by a proto- oncogenic G protein-like mechanism. (Staphylococcus bacteriophage 80alpha dUTPase).
Descriptor: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, DUTPASE, NICKEL (II) ION
Authors:Tormo-Mas, M.A, Donderis, J, Garcia-Caballer, M, Alt, A, Mir-Sanchis, I, Marina, A, Penades, J.R.
Deposit date:2012-12-10
Release date:2013-01-30
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:Phage Dutpases Control Transfer of Virulence Genes by a Proto-Oncogenic G Protein-Like Mechanism.
Mol.Cell, 49, 2013
6QX3
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BU of 6qx3 by Molmil
Influenza A virus (A/NT/60/1968) polymerase Hetermotrimer in complex with 3'5' cRNA promoter and Nb8205
Descriptor: Nb8205, Polymerase acidic protein, Polymerase basic protein 2, ...
Authors:Carrique, L, Keown, J.R, Fan, H, Fodor, E, Grimes, J.M.
Deposit date:2019-03-07
Release date:2019-09-04
Last modified:2024-05-15
Method:ELECTRON MICROSCOPY (3.79 Å)
Cite:Structures of influenza A virus RNA polymerase offer insight into viral genome replication.
Nature, 573, 2019
1KGI
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BU of 1kgi by Molmil
Rat transthyretin (also called prealbumin) complex with 3,3',5,5'-tetraiodothyroacetic acid (t4ac)
Descriptor: 3,3',5,5'-TETRAIODOTHYROACETIC ACID, TRANSTHYRETIN
Authors:Wojtczak, A, Neumann, P, Muziol, T, Cody, V, Luft, J.R, Pangborn, W.
Deposit date:2001-11-27
Release date:2002-11-27
Last modified:2023-08-16
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Complex of rat transthyretin with tetraiodothyroacetic acid refined at 2.1 and 1.8 A resolution.
Acta Biochim.Pol., 48, 2001
3ZF3
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BU of 3zf3 by Molmil
Phage dUTPases control transfer of virulence genes by a proto-oncogenic G protein-like mechanism. (Staphylococcus bacteriophage 80alpha dUTPase Y84I mutant).
Descriptor: DUTPASE, NICKEL (II) ION
Authors:Tormo-Mas, M.A, Donderis, J, Garcia-Caballer, M, Alt, A, Mir-Sanchis, I, Marina, A, Penades, J.R.
Deposit date:2012-12-10
Release date:2013-01-30
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (3.1 Å)
Cite:Phage Dutpases Control Transfer of Virulence Genes by a Proto-Oncogenic G Protein-Like Mechanism.
Mol.Cell, 49, 2013
3ZF6
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BU of 3zf6 by Molmil
Phage dUTPases control transfer of virulence genes by a proto-oncogenic G protein-like mechanism. (Staphylococcus bacteriophage 80alpha dUTPase D81A D110C S168C mutant with dUpNHpp).
Descriptor: 2'-DEOXYURIDINE 5'-MONOPHOSPHATE, DUTPASE, NICKEL (II) ION
Authors:Tormo-Mas, M.A, Donderis, J, Garcia-Caballer, M, Alt, A, Mir-Sanchis, I, Marina, A, Penades, J.R.
Deposit date:2012-12-10
Release date:2013-01-30
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Phage Dutpases Control Transfer of Virulence Genes by a Proto-Oncogenic G Protein-Like Mechanism.
Mol.Cell, 49, 2013
3ZF1
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BU of 3zf1 by Molmil
Phage dUTPases control transfer of virulence genes by a proto- oncogenic G protein-like mechanism. (Staphylococcus bacteriophage 80alpha dUTPase D81N mutant with dUpNHpp).
Descriptor: 2'-DEOXYURIDINE 5'-ALPHA,BETA-IMIDO-TRIPHOSPHATE, DUTPASE, NICKEL (II) ION
Authors:Tormo-Mas, M.A, Donderis, J, Garcia-Caballer, M, Alt, A, Mir-Sanchis, I, Marina, A, Penades, J.R.
Deposit date:2012-12-10
Release date:2013-01-30
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (3 Å)
Cite:Phage Dutpases Control Transfer of Virulence Genes by a Proto-Oncogenic G Protein-Like Mechanism.
Mol.Cell, 49, 2013
3ZF5
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BU of 3zf5 by Molmil
Phage dUTPases control transfer of virulence genes by a proto-oncogenic G protein-like mechanism. (Staphylococcus bacteriophage 80alpha dUTPase Y84F mutant with dUpNHpp).
Descriptor: 2'-DEOXYURIDINE 5'-ALPHA,BETA-IMIDO-TRIPHOSPHATE, DUTPASE, MAGNESIUM ION, ...
Authors:Tormo-Mas, M.A, Donderis, J, Garcia-Caballer, M, Alt, A, Mir-Sanchis, I, Marina, A, Penades, J.R.
Deposit date:2012-12-10
Release date:2013-01-30
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (3.2 Å)
Cite:Phage Dutpases Control Transfer of Virulence Genes by a Proto-Oncogenic G Protein-Like Mechanism.
Mol.Cell, 49, 2013
1IOV
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BU of 1iov by Molmil
COMPLEX OF D-ALA:D-ALA LIGASE WITH ADP AND A PHOSPHORYL PHOSPHONATE
Descriptor: 2-[(1-AMINO-ETHYL)-PHOSPHATE-PHOSPHINOYLOXY]-BUTYRIC ACID, ADENOSINE-5'-DIPHOSPHATE, D-ALA:D-ALA LIGASE, ...
Authors:Knox, J.R, Moews, P.C, Fan, C.
Deposit date:1996-09-20
Release date:1997-02-12
Last modified:2024-05-22
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:D-alanine:D-alanine ligase: phosphonate and phosphinate intermediates with wild type and the Y216F mutant.
Biochemistry, 36, 1997
3ZF4
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BU of 3zf4 by Molmil
Phage dUTPases control transfer of virulence genes by a proto- oncogenic G protein-like mechanism. (Staphylococcus bacteriophage 80alpha dUTPase Y81A mutant with dUpNHpp).
Descriptor: 2'-DEOXYURIDINE 5'-ALPHA,BETA-IMIDO-TRIPHOSPHATE, DUTPASE, MAGNESIUM ION, ...
Authors:Tormo-Mas, M.A, Donderis, J, Garcia-Caballer, M, Alt, A, Mir-Sanchis, I, Marina, A, Penades, J.R.
Deposit date:2012-12-10
Release date:2013-01-30
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (3.1 Å)
Cite:Phage Dutpases Control Transfer of Virulence Genes by a Proto-Oncogenic G Protein-Like Mechanism.
Mol.Cell, 49, 2013
4BLM
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BU of 4blm by Molmil
BETA-LACTAMASE OF BACILLUS LICHENIFORMIS 749(SLASH)C. REFINEMENT AT 2 ANGSTROMS RESOLUTION AND ANALYSIS OF HYDRATION
Descriptor: BETA-LACTAMASE, SULFATE ION
Authors:Knox, J.R, Moews, P.C.
Deposit date:1991-05-28
Release date:1993-01-15
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2 Å)
Cite:Beta-lactamase of Bacillus licheniformis 749/C. Refinement at 2 A resolution and analysis of hydration.
J.Mol.Biol., 220, 1991
1MBL
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BU of 1mbl by Molmil
A catalytically-impaired class A beta-lactamase: 2 Angstroms crystal structure and kinetics of the Bacillus licheniformis E166A mutant
Descriptor: BETA-LACTAMASE, SULFATE ION
Authors:Knox, J.R, Moews, P.C.
Deposit date:1992-08-17
Release date:1994-01-31
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (2 Å)
Cite:A catalytically-impaired class A beta-lactamase: 2 A crystal structure and kinetics of the Bacillus licheniformis E166A mutant.
Protein Eng., 6, 1993
6F0P
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BU of 6f0p by Molmil
Botulinum neurotoxin A4 Hc domain
Descriptor: 1,2-ETHANEDIOL, 2-[BIS-(2-HYDROXY-ETHYL)-AMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, DI(HYDROXYETHYL)ETHER, ...
Authors:Davies, J.R, Rees, J, Liu, S.M, Acharya, K.R.
Deposit date:2017-11-20
Release date:2018-01-10
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.34 Å)
Cite:High resolution crystal structures of Clostridium botulinum neurotoxin A3 and A4 binding domains.
J. Struct. Biol., 202, 2018
6BH3
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BU of 6bh3 by Molmil
LINKED KDM5A JMJ DOMAIN BOUND TO THE INHIBITOR (S)-N-(1-(3-isopropyl-1H-pyrazole-5-carbonyl)pyrrolidin-3-yl)cyclopropanecarboxamide (Compound N55)
Descriptor: 1,2-ETHANEDIOL, DIMETHYL SULFOXIDE, GLYCEROL, ...
Authors:Horton, J.R, Cheng, X.
Deposit date:2017-10-29
Release date:2018-03-28
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.701 Å)
Cite:Insights into the Action of Inhibitor Enantiomers against Histone Lysine Demethylase 5A.
J. Med. Chem., 61, 2018
6BGW
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BU of 6bgw by Molmil
LINKED KDM5A JMJ DOMAIN BOUND TO THE INHIBITOR 2-((2-chlorophenyl)(2-(4,4-difluoropiperidin-1-yl)ethoxy)methyl)-1H-pyrrolo[3,2-b]pyridine-7-carboxylic acid(Compound N41)
Descriptor: 2-{(S)-(2-chlorophenyl)[2-(4,4-difluoropiperidin-1-yl)ethoxy]methyl}-1H-pyrrolo[3,2-b]pyridine-7-carboxylic acid, DIMETHYL SULFOXIDE, GLYCEROL, ...
Authors:Horton, J.R, Cheng, X.
Deposit date:2017-10-29
Release date:2018-03-28
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.644 Å)
Cite:Insights into the Action of Inhibitor Enantiomers against Histone Lysine Demethylase 5A.
J. Med. Chem., 61, 2018
6F0O
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BU of 6f0o by Molmil
Botulinum neurotoxin A3 Hc domain
Descriptor: 1,2-ETHANEDIOL, Bontoxilysin A, PENTAETHYLENE GLYCOL, ...
Authors:Davies, J.R, Liu, S.M, Acharya, K.R.
Deposit date:2017-11-20
Release date:2018-01-10
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:High resolution crystal structures of Clostridium botulinum neurotoxin A3 and A4 binding domains.
J. Struct. Biol., 202, 2018
6BGY
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BU of 6bgy by Molmil
LINKED KDM5A JMJ DOMAIN BOUND TO THE INHIBITOR 2-((2-chlorophenyl)(2-(1-methylpyrrolidin-2-yl)ethoxy)methyl)-1H-pyrrolo[3,2-b]pyridine-7-carboxylic acid(Compound 46)
Descriptor: 1,2-ETHANEDIOL, 2-[(S)-(2-chlorophenyl){2-[(2R)-1-methylpyrrolidin-2-yl]ethoxy}methyl]-1H-pyrrolo[3,2-b]pyridine-7-carboxylic acid, DIMETHYL SULFOXIDE, ...
Authors:Horton, J.R, Cheng, X.
Deposit date:2017-10-29
Release date:2018-03-28
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.22 Å)
Cite:Insights into the Action of Inhibitor Enantiomers against Histone Lysine Demethylase 5A.
J. Med. Chem., 61, 2018
6BGX
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BU of 6bgx by Molmil
LINKED KDM5A JMJ DOMAIN BOUND TO THE INHIBITOR 2-((2-chlorophenyl)((4,4-difluorocyclohexyl)methoxy)methyl)-1H-pyrrolo[3,2-b]pyridine-7-carboxylic acid(Compound N42)
Descriptor: 1,2-ETHANEDIOL, 2-{(S)-(2-chlorophenyl)[(4,4-difluorocyclohexyl)methoxy]methyl}-1H-pyrrolo[3,2-b]pyridine-7-carboxylic acid, GLYCEROL, ...
Authors:Horton, J.R, Cheng, X.
Deposit date:2017-10-29
Release date:2018-03-28
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.882 Å)
Cite:Insights into the Action of Inhibitor Enantiomers against Histone Lysine Demethylase 5A.
J. Med. Chem., 61, 2018
6BH2
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BU of 6bh2 by Molmil
LINKED KDM5A JMJ DOMAIN BOUND TO THE INHIBITOR (R)-N-(1-(3-isopropyl-1H-pyrazole-5-carbonyl)pyrrolidin-3-yl)cyclopropanecarboxamide (Compound N54)
Descriptor: 1,2-ETHANEDIOL, GLYCEROL, Lysine-specific demethylase 5A, ...
Authors:Horton, J.R, Cheng, X.
Deposit date:2017-10-29
Release date:2018-03-28
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.447 Å)
Cite:Insights into the Action of Inhibitor Enantiomers against Histone Lysine Demethylase 5A.
J. Med. Chem., 61, 2018
6GNV
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BU of 6gnv by Molmil
Crystal Structure of Leishmania major N-Myristoyltransferase (NMT) With Bound Myristoyl-CoA and a isopropyl methyl indole aryl sulphonamide ligand
Descriptor: GLYCEROL, Glycylpeptide N-tetradecanoyltransferase, TETRADECANOYL-COA, ...
Authors:Robinson, D.A, Harrison, J.R, Brand, S, Smith, V.C, Thompson, S, Smith, A, Davies, K, Mok, N.Y, Torrie, L.S, Collie, I, Hallyburton, I, Norval, S, Simeons, F.R.C, Stojanovski, L, Frearson, J.A, Brenk, R, Wyatt, P.G, Gilbert, I.H, Read, K.D.
Deposit date:2018-05-31
Release date:2018-10-10
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:A Molecular Hybridization Approach for the Design of Potent, Highly Selective, and Brain-Penetrant N-Myristoyltransferase Inhibitors.
J. Med. Chem., 61, 2018
6GQI
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BU of 6gqi by Molmil
Thermocrispum municipale cyclohexanone monooxygenase bound to hexanoic acid
Descriptor: ACETATE ION, Cyclohexanone Monooxygenase from Thermocrispum municipale, FLAVIN-ADENINE DINUCLEOTIDE, ...
Authors:Mattevi, A, Gomez Castellanos, J.R.
Deposit date:2018-06-07
Release date:2018-12-12
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (2 Å)
Cite:Side-Chain Pruning Has Limited Impact on Substrate Preference in a Promiscuous Enzyme.
ACS Catal, 8, 2018
6BH1
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BU of 6bh1 by Molmil
LINKED KDM5A JMJ DOMAIN BOUND TO THE INHIBITOR (S)-2-((2-chlorophenyl)(2-(piperidin-1-yl)ethoxy)methyl)-1l2-pyrrolo[3,2-b]pyridine-7-carboxylic acid (Compound N52)
Descriptor: 1,2-ETHANEDIOL, 2-{(S)-(2-chlorophenyl)[2-(piperidin-1-yl)ethoxy]methyl}-1H-pyrrolo[3,2-b]pyridine-7-carboxylic acid, DIMETHYL SULFOXIDE, ...
Authors:Horton, J.R, Cheng, X.
Deposit date:2017-10-29
Release date:2018-03-28
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.932 Å)
Cite:Insights into the Action of Inhibitor Enantiomers against Histone Lysine Demethylase 5A.
J. Med. Chem., 61, 2018
6GNH
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BU of 6gnh by Molmil
Crystal Structure of Leishmania major N-Myristoyltransferase (NMT) With Bound Myristoyl-CoA and an Azepanyl Phenyl Benzylsulphonamide Ligand
Descriptor: Glycylpeptide N-tetradecanoyltransferase, TETRADECANOYL-COA, methyl 4-(azepan-1-yl)-3-[(4-methoxyphenyl)sulfonylamino]benzoate
Authors:Robinson, D.A, Harrison, J.R, Brand, S, Smith, V.C, Thompson, S, Smith, A, Davies, K, Mok, N.Y, Torrie, L.S, Collie, I, Hallyburton, I, Norval, S, Simeons, F.R.C, Stojanovski, L, Frearson, J.A, Brenk, R, Wyatt, P.G, Gilbert, I.H, Read, K.D.
Deposit date:2018-05-30
Release date:2018-09-26
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.89 Å)
Cite:A Molecular Hybridization Approach for the Design of Potent, Highly Selective, and Brain-Penetrant N-Myristoyltransferase Inhibitors.
J. Med. Chem., 61, 2018
6GJQ
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BU of 6gjq by Molmil
human NBD1 of CFTR in complex with nanobody T27
Descriptor: ADENOSINE-5'-TRIPHOSPHATE, Cystic fibrosis transmembrane conductance regulator, Nanobody T27
Authors:Sigoillot, M, Overtus, M, Grodecka, M, Scholl, D, Garcia-Pino, A, Laeremans, T, He, L, Pardon, E, Hildebrandt, E, Urbatsch, I, Steyaert, J, Riordan, J.R, Govaerts, C.
Deposit date:2018-05-16
Release date:2019-06-19
Last modified:2019-08-21
Method:X-RAY DIFFRACTION (2.49 Å)
Cite:Domain-interface dynamics of CFTR revealed by stabilizing nanobodies.
Nat Commun, 10, 2019

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