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5ELX
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BU of 5elx by Molmil
S. cerevisiae Dbp5 bound to RNA and mant-ADP BeF3
Descriptor: ATP-dependent RNA helicase DBP5, BERYLLIUM TRIFLUORIDE ION, MAGNESIUM ION, ...
Authors:Merchant, M.K, Modis, Y.
Deposit date:2015-11-05
Release date:2016-02-24
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (1.81 Å)
Cite:Pi Release Limits the Intrinsic and RNA-Stimulated ATPase Cycles of DEAD-Box Protein 5 (Dbp5).
J.Mol.Biol., 428, 2016
1K8F
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BU of 1k8f by Molmil
CRYSTAL STRUCTURE OF THE HUMAN C-TERMINAL CAP1-ADENYLYL CYCLASE ASSOCIATED PROTEIN
Descriptor: ADENYLYL CYCLASE-ASSOCIATED PROTEIN
Authors:Patskovsky, Y.V, Chance, M, Almo, S.C, Burley, S.K, New York SGX Research Center for Structural Genomics (NYSGXRC)
Deposit date:2001-10-24
Release date:2003-07-01
Last modified:2023-08-16
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Crystal structure of the actin binding domain of the cyclase-associated protein.
Biochemistry, 43, 2004
6K3B
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BU of 6k3b by Molmil
Crystal structure of Lpg2147-Lpg2149 complex
Descriptor: Lpg2147, Uncharacterized protein
Authors:Mu, Y, Wang, Y, Han, Y, Li, D, Feng, Y.
Deposit date:2019-05-17
Release date:2020-04-01
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.974 Å)
Cite:Structural insights into the mechanism and inhibition of transglutaminase-induced ubiquitination by the Legionella effector MavC.
Nat Commun, 11, 2020
6H5O
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BU of 6h5o by Molmil
Crystal structure of PBP2a from MRSA in complex with piperacillin at active site.
Descriptor: CADMIUM ION, Penicillin binding protein 2 prime, Piperacillin (Open Form)
Authors:Batuecas, M.T, Martinez-Caballero, S, Hermoso, J.A.
Deposit date:2018-07-25
Release date:2019-08-14
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (2.82 Å)
Cite:The Quinazolinone Allosteric Inhibitor of PBP 2a Synergizes with Piperacillin and Tazobactam against Methicillin-Resistant Staphylococcus aureus.
Antimicrob.Agents Chemother., 63, 2019
8OK7
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BU of 8ok7 by Molmil
Variant Surface Glycoprotein VSG558 NTD
Descriptor: Variant surface glycoprotein 558, alpha-D-mannopyranose-(1-2)-alpha-D-mannopyranose-(1-2)-alpha-D-mannopyranose-(1-3)-[alpha-D-mannopyranose-(1-6)]beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, alpha-D-mannopyranose-(1-2)-alpha-D-mannopyranose-(1-2)-alpha-D-mannopyranose-(1-3)-beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Zeelen, J.P, Stebbins, C.E, van Straaten, M, Zhong, J.
Deposit date:2023-03-27
Release date:2023-09-13
Method:X-RAY DIFFRACTION (1.74 Å)
Cite:A structural classification of the variant surface glycoproteins of the African trypanosomey.
Plos Negl Trop Dis, 17, 2023
8Q0E
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BU of 8q0e by Molmil
Crystal Structure of the N-terminal Domain of Variant Surface Glycoprotein 545 (VSG545) of Trypanosome brucei brucei Lister 427
Descriptor: Variant surface glycoprotein 545
Authors:van Straaten, M, Stebbins, C.E.
Deposit date:2023-07-28
Release date:2023-09-13
Method:X-RAY DIFFRACTION (3.15 Å)
Cite:A structural classification of the variant surface glycoproteins of the African trypanosomey.
Plos Negl Trop Dis, 17, 2023
6KFP
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BU of 6kfp by Molmil
Crystal structure of MavC ternary complex
Descriptor: MavC, Ubiquitin-40S ribosomal protein S27a, Ubiquitin-conjugating enzyme E2 N
Authors:Mu, Y, Wang, Y, Han, Y, Li, D, Feng, Y.
Deposit date:2019-07-08
Release date:2020-04-01
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.92 Å)
Cite:Structural insights into the mechanism and inhibition of transglutaminase-induced ubiquitination by the Legionella effector MavC.
Nat Commun, 11, 2020
8OK4
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BU of 8ok4 by Molmil
Variant Surface Glycoprotein VSG11wt-Oil
Descriptor: Variant surface glycoprotein, alpha-D-glucopyranose, alpha-D-mannopyranose-(1-2)-alpha-D-mannopyranose-(1-3)-[alpha-D-mannopyranose-(1-6)]beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose
Authors:Zeelen, J.P, Stebbins, C.E, Aresta-Branco, F, Foti, K.
Deposit date:2023-03-27
Release date:2023-09-13
Method:X-RAY DIFFRACTION (1.23 Å)
Cite:A structural classification of the variant surface glycoproteins of the African trypanosomey.
Plos Negl Trop Dis, 17, 2023
8ONH
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BU of 8onh by Molmil
Variant Surface Glycoprotein VSG11wt-Oil
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Variant surface glycoprotein, alpha-D-glucopyranose, ...
Authors:Zeelen, J.P, Stebbins, C.E, Foti, K, Gkeka, A, Vlachou, E.P.
Deposit date:2023-04-03
Release date:2023-09-13
Method:X-RAY DIFFRACTION (2.59 Å)
Cite:A structural classification of the variant surface glycoproteins of the African trypanosomey.
Plos Negl Trop Dis, 17, 2023
8OK5
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BU of 8ok5 by Molmil
Variant Surface Glycoprotein VSG11 monomer with iodine
Descriptor: IODIDE ION, Variant surface glycoprotein, alpha-D-glucopyranose, ...
Authors:Zeelen, J.P, Stebbins, C.E, Aresta-Branco, F.
Deposit date:2023-03-27
Release date:2023-09-13
Method:X-RAY DIFFRACTION (1.27 Å)
Cite:A structural classification of the variant surface glycoproteins of the African trypanosomey.
Plos Negl Trop Dis, 17, 2023
8OK6
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BU of 8ok6 by Molmil
Variant Surface Glycoprotein VSG11 two monomers
Descriptor: SULFATE ION, Variant surface glycoprotein, alpha-D-glucopyranose, ...
Authors:Gkeka, A, Vlachou, E.P, Zeelen, J.P, Stebbins, C.E.
Deposit date:2023-03-27
Release date:2023-09-13
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:A structural classification of the variant surface glycoproteins of the African trypanosomey.
Plos Negl Trop Dis, 17, 2023
8GI3
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BU of 8gi3 by Molmil
Crystal structure of RhoA mutant L69P complexed with GDP
Descriptor: GUANOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, Transforming protein RhoA
Authors:Chen, X, Qian, X, Chandravanshi, M, Lowy, D.R, Walters, K.J.
Deposit date:2023-03-13
Release date:2024-03-20
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (1.52 Å)
Cite:Ras-like GTPases mutants structure
To be published
8Q0P
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BU of 8q0p by Molmil
Crystal Structure of an N-terminal Domain of Variant Surface Glycoprotein 21 (VSG21) of Trypanosome brucei brucei Lister 427
Descriptor: Variant surface glycoprotein MITat 1.21
Authors:Zeelen, J.P, Stebbins, C.E.
Deposit date:2023-07-28
Release date:2023-09-13
Method:X-RAY DIFFRACTION (2.01 Å)
Cite:A structural classification of the variant surface glycoproteins of the African trypanosomey.
Plos Negl Trop Dis, 17, 2023
5KO9
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BU of 5ko9 by Molmil
Crystal Structure of the SRAP Domain of Human HMCES Protein
Descriptor: Embryonic stem cell-specific 5-hydroxymethylcytosine-binding protein, UNKNOWN ATOM OR ION
Authors:Halabelian, L, Li, Y, Bountra, C, Edwards, A.M, Arrowsmith, C.H, Structural Genomics Consortium (SGC)
Deposit date:2016-06-29
Release date:2016-08-24
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Structural basis of HMCES interactions with abasic DNA and multivalent substrate recognition.
Nat.Struct.Mol.Biol., 26, 2019
5M18
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BU of 5m18 by Molmil
Crystal structure of PBP2a from MRSA in the presence of Cefepime ligand
Descriptor: CADMIUM ION, Penicillin-binding protein 2, beta-muramic acid
Authors:Molina, R, Batuecas, M.T, Hermoso, J.A.
Deposit date:2016-10-07
Release date:2017-02-08
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.98 Å)
Cite:Conformational Dynamics in Penicillin-Binding Protein 2a of Methicillin-Resistant Staphylococcus aureus, Allosteric Communication Network and Enablement of Catalysis.
J. Am. Chem. Soc., 139, 2017
5M19
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BU of 5m19 by Molmil
Crystal structure of PBP2a from MRSA in the presence of Oxacillin ligand
Descriptor: CADMIUM ION, Penicillin-binding protein 2, beta-muramic acid
Authors:Molina, R, Batuecas, M.T, Hermoso, J.A.
Deposit date:2016-10-07
Release date:2017-02-08
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (2 Å)
Cite:Conformational Dynamics in Penicillin-Binding Protein 2a of Methicillin-Resistant Staphylococcus aureus, Allosteric Communication Network and Enablement of Catalysis.
J. Am. Chem. Soc., 139, 2017
4CJN
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BU of 4cjn by Molmil
Crystal structure of PBP2a from MRSA in complex with quinazolinone ligand
Descriptor: (E)-3-(2-(4-cyanostyryl)-4-oxoquinazolin-3(4H)-yl)benzoic acid, CADMIUM ION, CHLORIDE ION, ...
Authors:Bouley, R, Otero, L.H, Rojas-Altuve, A, Hermoso, J.A.
Deposit date:2013-12-21
Release date:2015-02-11
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (1.947 Å)
Cite:Discovery of Antibiotic (E)-3-(3-Carboxyphenyl)-2-(4-Cyanostyryl)Quinazolin-4(3H)-One.
J.Am.Chem.Soc., 137, 2015
5M1A
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BU of 5m1a by Molmil
Crystal structure of PBP2a from MRSA in the presence of Ceftazidime ligand
Descriptor: CADMIUM ION, Penicillin-binding protein 2, beta-muramic acid
Authors:Molina, R, Batuecas, M.T, Hermoso, J.A.
Deposit date:2016-10-07
Release date:2017-02-08
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (2 Å)
Cite:Conformational Dynamics in Penicillin-Binding Protein 2a of Methicillin-Resistant Staphylococcus aureus, Allosteric Communication Network and Enablement of Catalysis.
J. Am. Chem. Soc., 139, 2017
3P8H
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BU of 3p8h by Molmil
Crystal structure of L3MBTL1 (MBT repeat) in complex with a nicotinamide antagonist
Descriptor: 3-bromo-5-[(4-pyrrolidin-1-ylpiperidin-1-yl)carbonyl]pyridine, GLYCEROL, Lethal(3)malignant brain tumor-like protein, ...
Authors:Lam, R, Herold, J.M, Ouyang, H, Tempel, W, Gao, C, Ravichandran, M, Senisterra, G, Bountra, C, Weigelt, J, Arrowsmith, C.H, Edwards, A.M, Vedadi, M, Kireev, D, Frye, S.V, Brown, P.J, Structural Genomics Consortium (SGC)
Deposit date:2010-10-13
Release date:2010-11-03
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.55 Å)
Cite:Small-molecule ligands of methyl-lysine binding proteins.
J.Med.Chem., 54, 2011
6FI8
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BU of 6fi8 by Molmil
Crystal structure of the IS608 transposase in complex with left end 29-mer DNA hairpin and a 6-mer DNA representing the intact target site: pre-cleavage target capture complex
Descriptor: CALCIUM ION, DNA 29-MER (LE29), DNA 6-MER (T6'), ...
Authors:Morero, N.R, Barabas, O.
Deposit date:2018-01-17
Release date:2018-03-28
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (2.598 Å)
Cite:Targeting IS608 transposon integration to highly specific sequences by structure-based transposon engineering.
Nucleic Acids Res., 46, 2018
3ENS
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BU of 3ens by Molmil
Crystal structure of human FXA in complex with methyl (2Z)-3-[(3-chloro-1H-indol-7-yl)amino]-2-cyano-3-{[(3S)-2-oxo-1-(2-oxo-2-pyrrolidin-1-ylethyl)azepan-3-yl]amino}acrylate
Descriptor: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, ACETATE ION, Activated factor Xa heavy chain, ...
Authors:Klei, H.E.
Deposit date:2008-09-25
Release date:2008-12-30
Last modified:2017-10-25
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Design, Structure-Activity Relationships, X-ray Crystal Structure, and Energetic Contributions of a Critical P1 Pharmacophore: 3-Chloroindole-7-yl-Based Factor Xa Inhibitors.
J.Med.Chem., 51, 2008
6TYM
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BU of 6tym by Molmil
KEAP1 Kelch domain in complex with Compound 9
Descriptor: (3S)-3-[2-(benzenecarbonyl)-5-methyl-1,2,3,4-tetrahydroisoquinolin-7-yl]-3-(1-ethyl-4-methyl-1H-benzotriazol-5-yl)propanoic acid, DIMETHYL SULFOXIDE, GLYCEROL, ...
Authors:Marcotte, D.J.
Deposit date:2019-08-09
Release date:2020-01-15
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.422 Å)
Cite:Design, synthesis and identification of novel, orally bioavailable non-covalent Nrf2 activators.
Bioorg.Med.Chem.Lett., 30, 2020
6TYP
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BU of 6typ by Molmil
KEAP1 Kelch domain in complex with Compound 2
Descriptor: (3S)-3-[2-(benzenecarbonyl)-1,2,3,4-tetrahydroisoquinolin-7-yl]-3-(1-ethyl-4-methyl-1H-benzotriazol-5-yl)propanoic acid, FORMIC ACID, Kelch-like ECH-associated protein 1
Authors:Marcotte, D.J.
Deposit date:2019-08-09
Release date:2020-01-15
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Design, synthesis and identification of novel, orally bioavailable non-covalent Nrf2 activators.
Bioorg.Med.Chem.Lett., 30, 2020
3CZD
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BU of 3czd by Molmil
Crystal structure of human glutaminase in complex with L-glutamate
Descriptor: GLUTAMIC ACID, GLYCEROL, Glutaminase kidney isoform, ...
Authors:Karlberg, T, Welin, M, Andersson, J, Arrowsmith, C.H, Berglund, H, Busam, R.D, Collins, R, Dahlgren, L.G, Edwards, A.M, Flodin, S, Flores, A, Graslund, S, Hammarstrom, M, Johansson, A, Johansson, I, Kallas, A, Kotenyova, T, Lehtio, L, Moche, M, Nilsson, M.E, Nordlund, P, Nyman, T, Persson, C, Sagemark, J, Svensson, L, Thorsell, A.G, Tresaugues, L, Van Den Berg, S, Wikstrom, M, Schuler, H, Structural Genomics Consortium (SGC)
Deposit date:2008-04-29
Release date:2008-07-01
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Structural basis for the allosteric inhibitory mechanism of human kidney-type glutaminase (KGA) and its regulation by Raf-Mek-Erk signaling in cancer cell metabolism.
Proc.Natl.Acad.Sci.USA, 109, 2012
3DZO
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BU of 3dzo by Molmil
Crystal structure of a rhoptry kinase from toxoplasma gondii
Descriptor: MAGNESIUM ION, Rhoptry kinase domain
Authors:Wernimont, A.K, Lam, A, Ali, A, Lin, Y.H, Ni, S, Ravichandran, M, Wasney, G, Vedadi, M, Kozieradzki, I, Schapira, M, Bochkarev, A, Wilkstrom, M, Bountra, C, Arrowsmith, C.H, Edwards, A.M, Sibley, D, Hui, R, Qiu, W, Structural Genomics Consortium (SGC)
Deposit date:2008-07-30
Release date:2008-09-16
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Novel structural and regulatory features of rhoptry secretory kinases in Toxoplasma gondii.
Embo J., 28, 2009

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