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7UON
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BU of 7uon by Molmil
CTX-M-14 Y105W mutant
Descriptor: Beta-lactamase, PHOSPHATE ION
Authors:Judge, A, Hu, L, Sankaran, B, Van Riper, J, Prasad, B.V.V, Palzkill, T.
Deposit date:2022-04-13
Release date:2023-01-25
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (1.35 Å)
Cite:Mapping the determinants of catalysis and substrate specificity of the antibiotic resistance enzyme CTX-M beta-lactamase.
Commun Biol, 6, 2023
7UIC
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BU of 7uic by Molmil
Mediator-PIC Early (Tail A)
Descriptor: Mediator of RNA polymerase II transcription subunit 14, Mediator of RNA polymerase II transcription subunit 15, Mediator of RNA polymerase II transcription subunit 16, ...
Authors:Gorbea Colon, J.J, Chen, S.-F, Tsai, K.L, Murakami, K.
Deposit date:2022-03-29
Release date:2023-02-15
Last modified:2024-06-12
Method:ELECTRON MICROSCOPY (3.7 Å)
Cite:Structural basis of a transcription pre-initiation complex on a divergent promoter.
Mol.Cell, 83, 2023
7UIK
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BU of 7uik by Molmil
Mediator-PIC Early (Tail A + Upstream DNA & Activator)
Descriptor: DNA (37-MER), DNA (38-MER), Mediator of RNA polymerase II transcription subunit 14, ...
Authors:Gorbea Colon, J.J, Chen, S.-F, Tsai, K.L, Murakami, K.
Deposit date:2022-03-29
Release date:2023-03-01
Last modified:2024-06-12
Method:ELECTRON MICROSCOPY (7.7 Å)
Cite:Structural basis of a transcription pre-initiation complex on a divergent promoter.
Mol.Cell, 83, 2023
2J1M
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BU of 2j1m by Molmil
P450 BM3 Heme domain in complex with DMSO
Descriptor: CYTOCHROME P450 102, DIMETHYL SULFOXIDE, PROTOPORPHYRIN IX CONTAINING FE, ...
Authors:Kuper, J, Tuck-Seng, W, Roccatano, D, Wilmanns, M, Schwaneberg, U.
Deposit date:2006-08-14
Release date:2007-05-15
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Understanding a Mechanism of Organic Cosolvent Inactivation in Heme Monooxygenase P450 Bm-3.
J.Am.Chem.Soc., 129, 2007
6ET5
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BU of 6et5 by Molmil
Reaction centre light harvesting complex 1 from Blc. virids
Descriptor: 15-cis-1,2-dihydroneurosporene, BACTERIOCHLOROPHYLL B, BACTERIOPHEOPHYTIN B, ...
Authors:Qian, P, Siebert, C.A, Canniffe, D.P, Wang, P, Hunter, C.N.
Deposit date:2017-10-25
Release date:2018-04-11
Last modified:2019-10-23
Method:ELECTRON MICROSCOPY (3 Å)
Cite:Cryo-EM structure of the Blastochloris viridis LH1-RC complex at 2.9 angstrom.
Nature, 556, 2018
7NBA
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BU of 7nba by Molmil
Plasmodium falciparum kinesin-5 motor domain bound to AMPPNP, complexed with 14 protofilament microtubule.
Descriptor: GUANOSINE-5'-TRIPHOSPHATE, Kinesin motor domain-containing protein,Kinesin motor domain-containing protein, MAGNESIUM ION, ...
Authors:Cook, A.D, Roberts, A, Atherton, J, Tewari, R, Topf, M, Moores, C.A.
Deposit date:2021-01-25
Release date:2021-10-13
Last modified:2024-07-10
Method:ELECTRON MICROSCOPY (4 Å)
Cite:Cryo-EM structure of a microtubule-bound parasite kinesin motor and implications for its mechanism and inhibition.
J.Biol.Chem., 297, 2021
7NB8
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BU of 7nb8 by Molmil
Plasmodium falciparum kinesin-5 motor domain without nucleotide, complexed with 14 protofilament microtubule.
Descriptor: GUANOSINE-5'-TRIPHOSPHATE, Kinesin-5, MAGNESIUM ION, ...
Authors:Cook, A.D, Roberts, A, Atherton, J, Tewari, R, Topf, M, Moores, C.A.
Deposit date:2021-01-25
Release date:2021-10-13
Last modified:2024-07-10
Method:ELECTRON MICROSCOPY (4.4 Å)
Cite:Cryo-EM structure of a microtubule-bound parasite kinesin motor and implications for its mechanism and inhibition.
J.Biol.Chem., 297, 2021
7NDT
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BU of 7ndt by Molmil
UL40:01 TCR in complex with HLA-E with a non-natural amino acid
Descriptor: Beta-2-microglobulin, HLA class I histocompatibility antigen, alpha chain E, ...
Authors:Pengelly, R.J, Robinson, R.A.
Deposit date:2021-02-02
Release date:2022-01-26
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.999 Å)
Cite:Structure-guided stabilization of pathogen-derived peptide-HLA-E complexes using non-natural amino acids conserves native TCR recognition.
Eur.J.Immunol., 52, 2022
7NE6
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BU of 7ne6 by Molmil
Human TET2 in complex with unfavourable DNA substrate.
Descriptor: 1,2-ETHANEDIOL, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, DNA (5'-D(*AP*CP*AP*GP*GP*(5CM)P*GP*CP*CP*TP*G)-3'), ...
Authors:Rafalski, D, Bochtler, M.
Deposit date:2021-02-03
Release date:2022-03-02
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Pronounced sequence specificity of the TET enzyme catalytic domain guides its cellular function.
Sci Adv, 8, 2022
6G2I
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BU of 6g2i by Molmil
Filament of acetyl-CoA carboxylase and BRCT domains of BRCA1 (ACC-BRCT) at 5.9 A resolution
Descriptor: Acetyl-CoA carboxylase 1, Breast cancer type 1 susceptibility protein
Authors:Hunkeler, M, Hagmann, A, Stuttfeld, E, Chami, M, Stahlberg, H, Maier, T.
Deposit date:2018-03-23
Release date:2018-06-13
Last modified:2019-12-11
Method:ELECTRON MICROSCOPY (5.9 Å)
Cite:Structural basis for regulation of human acetyl-CoA carboxylase.
Nature, 558, 2018
2MQS
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BU of 2mqs by Molmil
Transient Collagen Triple Helix Binding to a Key Metalloproteinase in Invasion and Development: Spin Labels to Structure
Descriptor: Matrix metalloproteinase-14, THP_L_and_M_chain, THP_T_chain
Authors:Zhao, Y, Marcink, T, Van Doren, S.R.
Deposit date:2014-06-26
Release date:2015-02-11
Last modified:2023-06-14
Method:SOLUTION NMR
Cite:Transient collagen triple helix binding to a key metalloproteinase in invasion and development.
Structure, 23, 2015
6FYM
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BU of 6fym by Molmil
Human PARP14 (ARTD8), catalytic fragment in complex with inhibitor ITK1
Descriptor: 7,8-dimethyl-2-(pyrimidin-2-ylsulfanylmethyl)-3~{H}-quinazolin-4-one, NITRATE ION, Poly [ADP-ribose] polymerase 14
Authors:Karlberg, T, Thorsell, A.G, Kirby, I.T, Sreenivasan, R, Cohen, M.S, Schuler, H.
Deposit date:2018-03-12
Release date:2019-02-20
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (2.15 Å)
Cite:A Potent and Selective PARP11 Inhibitor Suggests Coupling between Cellular Localization and Catalytic Activity.
Cell Chem Biol, 25, 2018
6HWV
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BU of 6hwv by Molmil
Crystal structure of p38alpha in complex with a photoswitchable 2-Azoimidazol-based Inhibitor (compound 3)
Descriptor: 3-(2,5-dimethoxyphenyl)-~{N}-[4-[5-(4-fluorophenyl)-2-[(~{E})-(4-fluorophenyl)diazenyl]-3-methyl-imidazol-4-yl]pyridin-2-yl]propanamide, Mitogen-activated protein kinase 14, octyl beta-D-glucopyranoside
Authors:Mueller, M.P, Rauh, D.
Deposit date:2018-10-15
Release date:2019-04-17
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:2-Azo-, 2-diazocine-thiazols and 2-azo-imidazoles as photoswitchable kinase inhibitors: limitations and pitfalls of the photoswitchable inhibitor approach.
Photochem. Photobiol. Sci., 18, 2019
6FZM
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BU of 6fzm by Molmil
Human PARP14 (ARTD8), catalytic fragment in complex with inhibitor ITK6
Descriptor: 4-[(8-methyl-4-oxidanylidene-7-prop-1-ynyl-3~{H}-quinazolin-2-yl)methylsulfanyl]benzoic acid, Poly [ADP-ribose] polymerase 14
Authors:Karlberg, T, Thorsell, A.G, Kirby, I.T, Sreenivasan, R, Cohen, M.S, Schuler, H.
Deposit date:2018-03-15
Release date:2019-02-20
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (2.67 Å)
Cite:A Potent and Selective PARP11 Inhibitor Suggests Coupling between Cellular Localization and Catalytic Activity.
Cell Chem Biol, 25, 2018
6G0W
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BU of 6g0w by Molmil
Human PARP14 (ARTD8), catalytic fragment in complex with inhibitor MCD72
Descriptor: 4-[3-[4-(4-fluorophenyl)piperidin-1-yl]carbonylphenoxy]benzamide, Poly [ADP-ribose] polymerase 14
Authors:Karlberg, T, Thorsell, A.G, Holechek, J, Lease, R, Ferraris, D, Schuler, H.
Deposit date:2018-03-20
Release date:2018-05-23
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (2.34 Å)
Cite:Design, synthesis and evaluation of potent and selective inhibitors of mono-(ADP-ribosyl)transferases PARP10 and PARP14.
Bioorg. Med. Chem. Lett., 28, 2018
2NWC
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BU of 2nwc by Molmil
A 3.02 angstrom crystal structure of wild-type apo GroEL in a monoclinic space group
Descriptor: 60 kDa chaperonin
Authors:Kiser, P.D, Lodowski, D.T, Palczewski, K.
Deposit date:2006-11-14
Release date:2007-05-22
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (3.02 Å)
Cite:Purification, crystallization and structure determination of native GroEL from Escherichia coli lacking bound potassium ions
Acta Crystallogr.,Sect.F, 63, 2007
2KMZ
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BU of 2kmz by Molmil
NMR Structure of hFn14
Descriptor: Tumor necrosis factor receptor superfamily member 12A
Authors:Pellegrini, M, Willen, L, Perroud, M, Krushinskie, D, Strauch, K, Cuervo, H, Sun, Y, Day, E.S, Schneider, P, Zheng, T.S.
Deposit date:2009-08-10
Release date:2011-06-29
Last modified:2013-05-01
Method:SOLUTION NMR
Cite:Structure of the extracellular domains of human and Xenopus Fn14: implications in the evolution of TWEAK and Fn14 interactions.
Febs J., 280, 2013
2NSQ
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BU of 2nsq by Molmil
Crystal structure of the C2 domain of the human E3 ubiquitin-protein ligase NEDD4-like protein
Descriptor: 1,2-ETHANEDIOL, E3 ubiquitin-protein ligase NEDD4-like protein, GLYCEROL
Authors:Walker, J.R, Avvakumov, G.V, Xue, S, Butler-Cole, C, Finerty Jr, P.J, Weigelt, J, Sundstrom, M, Arrowsmith, C.H, Edwards, A.M, Bochkarev, A, Dhe-Paganon, S, Structural Genomics Consortium (SGC)
Deposit date:2006-11-06
Release date:2006-12-19
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:The C2 domain of the human E3 ubiquitin-protein ligase NEDD4-like protein
To be Published
3O1M
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BU of 3o1m by Molmil
Iron-Catalyzed Oxidation Intermediates Captured in A DNA Repair Dioxygenase
Descriptor: 2-OXOGLUTARIC ACID, Alpha-ketoglutarate-dependent dioxygenase AlkB, DNA (5'-D(*AP*AP*CP*GP*GP*TP*AP*TP*TP*AP*CP*CP*T)-3'), ...
Authors:Yi, C, Jia, G, Hou, G, Dai, Q, Zhang, W, Zheng, G, Jian, X, Yang, C.-G, Cui, Q, He, C.
Deposit date:2010-07-21
Release date:2010-11-17
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:Iron-catalysed oxidation intermediates captured in a DNA repair dioxygenase.
Nature, 468, 2010
3O1P
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BU of 3o1p by Molmil
Iron-Catalyzed Oxidation Intermediates Captured in A DNA Repair Dioxygenase
Descriptor: 2-OXOGLUTARIC ACID, Alpha-ketoglutarate-dependent dioxygenase AlkB, DNA (5'-D(*AP*AP*CP*GP*GP*TP*AP*TP*TP*AP*CP*CP*T)-3'), ...
Authors:Yi, C, Jia, G, Hou, G, Dai, Q, Zhang, W, Zheng, G, Jian, X, Yang, C.-G, Cui, Q, He, C.
Deposit date:2010-07-21
Release date:2010-11-17
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (1.51 Å)
Cite:Iron-catalysed oxidation intermediates captured in a DNA repair dioxygenase.
Nature, 468, 2010
6U3E
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BU of 6u3e by Molmil
Best fitting antiparallel model for Volume 1 of truncated dimeric Cytohesin-3 (Grp1; amino acids 14-399)
Descriptor: Cytohesin-3, INOSITOL-(1,3,4,5)-TETRAKISPHOSPHATE
Authors:Das, S, Lambright, D.G.
Deposit date:2019-08-21
Release date:2019-09-25
Last modified:2023-11-29
Method:ELECTRON MICROSCOPY (53 Å)
Cite:Structural Organization and Dynamics of Homodimeric Cytohesin Family Arf GTPase Exchange Factors in Solution and on Membranes.
Structure, 27, 2019
3OAA
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BU of 3oaa by Molmil
Structure of the E.coli F1-ATP synthase inhibited by subunit Epsilon
Descriptor: ADENOSINE-5'-DIPHOSPHATE, ATP synthase epsilon chain, ATP synthase gamma chain, ...
Authors:Cingolani, G, Duncan, T.M.
Deposit date:2010-08-05
Release date:2011-05-25
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (3.26 Å)
Cite:Structural basis for inhibition of bacterial ATP synthase by subunit epsilon of the rotor stalk
To be Published
3OG8
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BU of 3og8 by Molmil
Crystal structure of human RIG-I CTD bound to a 14-bp blunt-ended dsRNA
Descriptor: Antiviral innate immune response receptor RIG-I, RNA (5'-R(*GP*GP*CP*GP*CP*GP*CP*GP*CP*GP*CP*GP*CP*C)-3'), ZINC ION
Authors:Li, P.
Deposit date:2010-08-16
Release date:2010-11-03
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Crystal structure of RIG-I C-terminal domain bound to blunt-ended double-strand RNA without 5' triphosphate.
Nucleic Acids Res., 39, 2011
4ABL
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BU of 4abl by Molmil
HUMAN PARP14 (ARTD8, BAL2) - MACRO DOMAIN 3
Descriptor: BROMIDE ION, POLY [ADP-RIBOSE] POLYMERASE 14
Authors:Karlberg, T, Moche, M, Thorsell, A.G, Arrowsmith, C.H, Bountra, C, Edwards, A.M, Ekblad, T, Weigelt, J, Schuler, H.
Deposit date:2011-12-08
Release date:2012-12-19
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (1.15 Å)
Cite:Recognition of Mono-Adp-Ribosylated Artd10 Substrates by Artd8 Macrodomains
Structure, 21, 2013
4ABE
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BU of 4abe by Molmil
Fragments bound to bovine trypsin for the SAMPL challenge
Descriptor: (3-PYRAZOL-1-YLPHENYL)METHANAMINE, 1,2-ETHANEDIOL, CALCIUM ION, ...
Authors:Newman, J, Peat, T.S.
Deposit date:2011-12-08
Release date:2012-02-08
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (1.3 Å)
Cite:The Dingo Dataset: A Comprehensive Set of Data for the Sampl Challenge.
J.Comput.Aided Mol.Des., 26, 2012

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