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8WJ3
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BU of 8wj3 by Molmil
Cryo-EM structure of a bacterial protein
Descriptor: Helicase HerA central domain-containing protein, MAGNESIUM ION, PHOSPHOTHIOPHOSPHORIC ACID-ADENYLATE ESTER
Authors:Yu, G, Liao, F, Li, X, Li, Z, Zhang, H.
Deposit date:2023-09-25
Release date:2024-09-11
Method:ELECTRON MICROSCOPY (3.36 Å)
Cite:Cryo-EM structure of a bacterial protein
To Be Published
8WIV
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BU of 8wiv by Molmil
Cryo-EM structure of a bacterial protein
Descriptor: Helicase HerA central domain-containing protein, MAGNESIUM ION, PHOSPHOTHIOPHOSPHORIC ACID-ADENYLATE ESTER
Authors:Yu, G, Liao, F, Li, X, Li, Z, Zhang, H.
Deposit date:2023-09-25
Release date:2024-09-11
Method:ELECTRON MICROSCOPY (3.41 Å)
Cite:Cryo-EM structure of a bacterial protein
To Be Published
7NH4
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BU of 7nh4 by Molmil
Co-Crystal Structure of Akt1 in Complex with Covalent-Allosteric Akt Inhibitor 3
Descriptor: ACETATE ION, RAC-alpha serine/threonine-protein kinase, ~{N}-[3-[1-[[4-[5-(hydroxymethyl)-3-phenyl-pyridin-2-yl]phenyl]methyl]piperidin-4-yl]-2-oxidanylidene-1~{H}-benzimidazol-5-yl]propanamide
Authors:Landel, I, Mueller, M.P, Rauh, D.
Deposit date:2021-02-10
Release date:2021-09-08
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Cellular model system to dissect the isoform-selectivity of Akt inhibitors.
Nat Commun, 12, 2021
7NH5
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BU of 7nh5 by Molmil
Co-Crystal Structure of Akt1 in Complex with Covalent-Allosteric Akt Inhibitor 6
Descriptor: ACETATE ION, RAC-alpha serine/threonine-protein kinase, ~{N}-methyl-6-[4-[[4-[2-oxidanylidene-6-(propanoylamino)-3~{H}-benzimidazol-1-yl]piperidin-1-yl]methyl]phenyl]-5-phenyl-pyridine-3-carboxamide
Authors:Landel, I, Mueller, M.P, Rauh, D.
Deposit date:2021-02-10
Release date:2021-09-08
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Cellular model system to dissect the isoform-selectivity of Akt inhibitors.
Nat Commun, 12, 2021
6BRR
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BU of 6brr by Molmil
Crystal structure of DNMT3A (R836A)-DNMT3L in complex with DNA containing two CpG sites
Descriptor: DNA (25-MER), DNA (cytosine-5)-methyltransferase 3-like, DNA (cytosine-5)-methyltransferase 3A, ...
Authors:Zhang, Z.M, Song, J.
Deposit date:2017-11-30
Release date:2018-01-31
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.97 Å)
Cite:Structural basis for DNMT3A-mediated de novo DNA methylation.
Nature, 554, 2018
1MAF
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BU of 1maf by Molmil
The Active Site Structure of Methylamine Dehydrogenase: Hydrazines Identify C6 as the Reactive Site of the Tryptophan Derived Quinone Cofactor
Descriptor: METHYLAMINE DEHYDROGENASE (HEAVY SUBUNIT), METHYLAMINE DEHYDROGENASE (LIGHT SUBUNIT), NITROGEN MOLECULE
Authors:Huizinga, E.G, Vellieux, F.M.D, Hol, W.G.J.
Deposit date:1992-05-20
Release date:1994-01-31
Last modified:2024-06-05
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Active site structure of methylamine dehydrogenase: hydrazines identify C6 as the reactive site of the tryptophan-derived quinone cofactor.
Biochemistry, 31, 1992
4K2F
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BU of 4k2f by Molmil
Structure of Pseudomonas aeruginosa PvdQ bound to BRD-A08522488
Descriptor: (2S)-(4-chlorophenyl)(6-chloropyridin-2-yl)ethanenitrile, 1,2-ETHANEDIOL, Acyl-homoserine lactone acylase PvdQ
Authors:Drake, E.J, Wurst, J.M, Theriault, J.R, Munoz, B, Gulick, A.M.
Deposit date:2013-04-09
Release date:2014-06-18
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.99 Å)
Cite:Identification of Inhibitors of PvdQ, an Enzyme Involved in the Synthesis of the Siderophore Pyoverdine.
Acs Chem.Biol., 9, 2014
1MAE
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BU of 1mae by Molmil
The Active Site Structure of Methylamine Dehydrogenase: Hydrazines Identify C6 as the Reactive Site of the Tryptophan Derived Quinone Cofactor
Descriptor: METHYLAMINE DEHYDROGENASE (HEAVY SUBUNIT), METHYLAMINE DEHYDROGENASE (LIGHT SUBUNIT), NITROGEN MOLECULE
Authors:Huizinga, E.G, Vellieux, F.M.D, Hol, W.G.J.
Deposit date:1992-05-20
Release date:1994-01-31
Last modified:2024-06-05
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Active site structure of methylamine dehydrogenase: hydrazines identify C6 as the reactive site of the tryptophan-derived quinone cofactor.
Biochemistry, 31, 1992
4K24
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BU of 4k24 by Molmil
Structure of anti-uPAR Fab ATN-658 in complex with uPAR
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Urokinase plasminogen activator surface receptor, ...
Authors:Huang, M.D, Xu, X, Yuan, C.
Deposit date:2013-04-08
Release date:2014-02-26
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (4.5 Å)
Cite:Identification of a New Epitope in uPAR as a Target for the Cancer Therapeutic Monoclonal Antibody ATN-658, a Structural Homolog of the uPAR Binding Integrin CD11b ( alpha M)
Plos One, 9, 2014
5Z3I
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BU of 5z3i by Molmil
Crystal Structure of Abrin A chain (Recombinant) in complex with Adenine at 1.65 Angstroms
Descriptor: ADENINE, Abrin A-chain
Authors:Bansia, H, Karande, A.A, Ramakumar, S.
Deposit date:2018-01-08
Release date:2019-01-02
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.65 Å)
Cite:Structural basis for neutralization of cytotoxic abrin by monoclonal antibody D6F10.
FEBS J., 286, 2019
7MYJ
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BU of 7myj by Molmil
Structure of full length human AMPK (a2b1g1) in complex with a small molecule activator MSG011
Descriptor: (5S,6R,7R,9R,13cR,14R,16aS)-6-methoxy-5-methyl-7-(methylamino)-6,7,8,9,14,15,16,16a-octahydro-5H,13cH-5,9-epoxy-4b,9a,1 5-triazadibenzo[b,h]cyclonona[1,2,3,4-jkl]cyclopenta[e]-as-indacen-14-ol, 5'-AMP-activated protein kinase catalytic subunit alpha-2, 5'-AMP-activated protein kinase subunit beta-1, ...
Authors:Ovens, A.J, Gee, Y.S, Ling, N.X.Y, Waters, N.J, Yu, D, Scott, J.W, Parker, M.W, Hoffman, N.J, Kemp, B.E, Baell, J.B, Oakhill, J.S, Langendorf, C.G.
Deposit date:2021-05-21
Release date:2022-06-29
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.95 Å)
Cite:Structure-function analysis of the AMPK activator SC4 and identification of a potent pan AMPK activator.
Biochem.J., 479, 2022
7NAC
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BU of 7nac by Molmil
State E2 nucleolar 60S ribosomal biogenesis intermediate - Composite model
Descriptor: 25S rRNA, 25S rRNA (cytosine(2870)-C(5))-methyltransferase, 27S pre-rRNA (guanosine(2922)-2'-O)-methyltransferase, ...
Authors:Cruz, V.E, Sekulski, K, Peddada, N, Erzberger, J.P.
Deposit date:2021-06-21
Release date:2022-11-09
Last modified:2024-06-05
Method:ELECTRON MICROSCOPY (3.04 Å)
Cite:Sequence-specific remodeling of a topologically complex RNP substrate by Spb4.
Nat.Struct.Mol.Biol., 29, 2022
6C5X
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BU of 6c5x by Molmil
Crystal Structure of SOCS1 in complex with ElonginB and ElonginC
Descriptor: Elongin-B, Elongin-C, GP130 peptide fragment, ...
Authors:Kershaw, N.J, Laktyushin, A, Babon, J.J.
Deposit date:2018-01-17
Release date:2018-05-02
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (3.105 Å)
Cite:The molecular basis of JAK/STAT inhibition by SOCS1.
Nat Commun, 9, 2018
6C7Y
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BU of 6c7y by Molmil
Crystal structure of inhibitory protein SOCS1 in complex with JAK1 kinase domain
Descriptor: 1,2-ETHANEDIOL, ACETATE ION, ADENOSINE-5'-DIPHOSPHATE, ...
Authors:Liau, N.P.D, Laktyushin, A, Lucet, I.S, Murphy, J.M, Yao, S, Callaghan, K, Nicola, N.A, Kershaw, N.J, Babon, J.J.
Deposit date:2018-01-23
Release date:2018-05-02
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (2.499 Å)
Cite:The molecular basis of JAK/STAT inhibition by SOCS1.
Nat Commun, 9, 2018
6CIB
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BU of 6cib by Molmil
The structure of YcaO from Methanopyrus kandleri bound with AMPPCP and Mg2+
Descriptor: ADENOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, OXAMIC ACID, ...
Authors:Dong, S.-H, Nair, S.K.
Deposit date:2018-02-23
Release date:2018-03-21
Last modified:2018-03-28
Method:X-RAY DIFFRACTION (2.05 Å)
Cite:Enzymatic reconstitution of ribosomal peptide backbone thioamidation.
Proc. Natl. Acad. Sci. U.S.A., 115, 2018
4KRD
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BU of 4krd by Molmil
Crystal Structure of Pho85-Pcl10 Complex
Descriptor: Cyclin-dependent protein kinase PHO85, PHO85 cyclin-10
Authors:Quiocho, F.A, Zheng, F.
Deposit date:2013-05-16
Release date:2013-09-18
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.952 Å)
Cite:New Structural Insights into Phosphorylation-free Mechanism for Full Cyclin-dependent Kinase (CDK)-Cyclin Activity and Substrate Recognition.
J.Biol.Chem., 288, 2013
6CE2
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BU of 6ce2 by Molmil
Crystal structure of Myotoxin I (MjTX-I) from Bothrops moojeni complexed to inhibitor suramin
Descriptor: 2-{2-[2-(2-{2-[2-(2-ETHOXY-ETHOXY)-ETHOXY]-ETHOXY}-ETHOXY)-ETHOXY]-ETHOXY}-ETHANOL, 8,8'-[CARBONYLBIS[IMINO-3,1-PHENYLENECARBONYLIMINO(4-METHYL-3,1-PHENYLENE)CARBONYLIMINO]]BIS-1,3,5-NAPHTHALENETRISULFON IC ACID, Basic phospholipase A2 homolog 1
Authors:Salvador, G.H.M, Fontes, M.R.M.
Deposit date:2018-02-10
Release date:2018-07-25
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.15 Å)
Cite:Structural and functional characterization of suramin-bound MjTX-I from Bothrops moojeni suggests a particular myotoxic mechanism.
Sci Rep, 8, 2018
6CI7
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BU of 6ci7 by Molmil
The structure of YcaO from Methanopyrus kandleri bound with AMPPCP and Mg2+
Descriptor: MAGNESIUM ION, PHOSPHOMETHYLPHOSPHONIC ACID ADENYLATE ESTER, YcaO
Authors:Dong, S.-H, Nair, S.K.
Deposit date:2018-02-23
Release date:2018-03-21
Last modified:2018-03-28
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Enzymatic reconstitution of ribosomal peptide backbone thioamidation.
Proc. Natl. Acad. Sci. U.S.A., 115, 2018
4ITQ
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BU of 4itq by Molmil
Crystal structure of hypothetical protein SCO1480 bound to DNA
Descriptor: 5'-D(P*CP*CP*GP*CP*GP*CP*GP*C)-3', 5'-D(P*GP*CP*GP*CP*GP*CP*GP*G)-3', Putative uncharacterized protein SCO1480
Authors:Guarne, A, Nanji, T, Gloyd, M, Swiercz, J.P, Elliot, M.A.
Deposit date:2013-01-18
Release date:2013-03-27
Last modified:2013-05-22
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:A novel nucleoid-associated protein specific to the actinobacteria.
Nucleic Acids Res., 41, 2013
1FYR
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BU of 1fyr by Molmil
DIMER FORMATION THROUGH DOMAIN SWAPPING IN THE CRYSTAL STRUCTURE OF THE GRB2-SH2 AC-PYVNV COMPLEX
Descriptor: GROWTH FACTOR RECEPTOR-BOUND PROTEIN 2, HEPATOCYTE GROWTH FACTOR RECEPTOR PEPTIDE
Authors:Schiering, N, Casale, E, Caccia, P, Giordano, P, Battistini, C.
Deposit date:2000-10-03
Release date:2000-12-06
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Dimer formation through domain swapping in the crystal structure of the Grb2-SH2-Ac-pYVNV complex.
Biochemistry, 39, 2000
4K23
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BU of 4k23 by Molmil
Structure of anti-uPAR Fab ATN-658
Descriptor: anti-uPAR antibody, heavy chain, light chain
Authors:Yuan, C, Huang, M, Chen, L.
Deposit date:2013-04-08
Release date:2014-02-26
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Identification of a New Epitope in uPAR as a Target for the Cancer Therapeutic Monoclonal Antibody ATN-658, a Structural Homolog of the uPAR Binding Integrin CD11b ( alpha M)
Plos One, 9, 2014
1J3H
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BU of 1j3h by Molmil
Crystal structure of apoenzyme cAMP-dependent protein kinase catalytic subunit
Descriptor: (4S)-2-METHYL-2,4-PENTANEDIOL, cAMP-dependent protein kinase, alpha-catalytic subunit
Authors:Akamine, P, Madhusudan, Wu, J, Xuong, N.H, Ten Eyck, L.F, Taylor, S.S.
Deposit date:2003-01-31
Release date:2003-03-04
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:Dynamic Features of cAMP-dependent Protein Kinase Revealed by Apoenzyme Crystal Structure
J.Mol.Biol., 327, 2003
1RY6
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BU of 1ry6 by Molmil
Crystal Structure of Internal Kinesin Motor Domain
Descriptor: INTERNAL KINESIN, SULFATE ION
Authors:Shipley, K, Hekmat-Nejad, M, Turner, J, Moores, C, Anderson, R, Milligan, R, Sakowicz, R, Fletterick, R.
Deposit date:2003-12-19
Release date:2004-04-13
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Structure of a kinesin microtubule depolymerization machine.
Embo J., 23, 2004
8TB1
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BU of 8tb1 by Molmil
Solution NMR structure of a RiPP proteusin precursor protein
Descriptor: NHLP leader peptide family natural product, tumor homing peptide 1 (TH1) substrate chimera
Authors:McShan, A.C, Vinayak, A, Nguyen, N.A.
Deposit date:2023-06-28
Release date:2024-02-14
Last modified:2024-05-01
Method:SOLUTION NMR
Cite:Disordered regions in proteusin peptides guide post-translational modification by a flavin-dependent RiPP brominase.
Nat Commun, 15, 2024
4H2W
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BU of 4h2w by Molmil
Crystal structure of engineered Bradyrhizobium japonicum glycine:[carrier protein] ligase complexed with carrier protein from Agrobacterium tumefaciens and AMP
Descriptor: 4'-PHOSPHOPANTETHEINE, ADENOSINE MONOPHOSPHATE, Amino acid--[acyl-carrier-protein] ligase 1, ...
Authors:Luic, M, Weygand-Durasevic, I, Ivic, N, Mocibob, M.
Deposit date:2012-09-13
Release date:2013-03-06
Last modified:2017-08-23
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Adaptation of aminoacyl-tRNA synthetase catalytic core to carrier protein aminoacylation.
Structure, 21, 2013

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