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1TDQ
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BU of 1tdq by Molmil
Structural basis for the interactions between tenascins and the C-type lectin domains from lecticans: evidence for a cross-linking role for tenascins
Descriptor: Aggrecan core protein, CALCIUM ION, Tenascin-R
Authors:Lundell, A, Olin, A.I, Moergelin, M, al-Karadaghi, S, Aspberg, A, Logan, D.T.
Deposit date:2004-05-24
Release date:2004-08-31
Last modified:2024-10-30
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Structural basis for interactions between tenascins and lectican C-type lectin domains: evidence for a crosslinking role for tenascins
Structure, 12, 2004
1JJC
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BU of 1jjc by Molmil
Crystal structure at 2.6A resolution of phenylalanyl-tRNA synthetase complexed with phenylalanyl-adenylate in the presence of manganese
Descriptor: ADENOSINE-5'-[PHENYLALANINYL-PHOSPHATE], MANGANESE (II) ION, PHENYLALANYL-TRNA SYNTHETASE ALPHA CHAIN, ...
Authors:Safro, M.G, Fishman, R, Moor, N, Ankilova, V.
Deposit date:2001-07-04
Release date:2001-11-02
Last modified:2023-08-16
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Structure at 2.6 A resolution of phenylalanyl-tRNA synthetase complexed with phenylalanyl-adenylate in the presence of manganese.
Acta Crystallogr.,Sect.D, 57, 2001
8CY4
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BU of 8cy4 by Molmil
CamA Adenine Methyltransferase Complexed to Cognate Substrate DNA and Compound 16
Descriptor: 1,2-ETHANEDIOL, DNA (5'-D(*AP*TP*GP*GP*GP*AP*CP*TP*TP*TP*TP*TP*GP*A)-3'), N-[3-(4-hydroxyphenyl)propyl]adenosine, ...
Authors:Zhou, J, Horton, J.R, Cheng, X.
Deposit date:2022-05-22
Release date:2023-01-11
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (2.34 Å)
Cite:Systematic Design of Adenosine Analogs as Inhibitors of a Clostridioides difficile- Specific DNA Adenine Methyltransferase Required for Normal Sporulation and Persistence.
J.Med.Chem., 66, 2023
4NXR
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BU of 4nxr by Molmil
Crystal Structure of T-cell Lymphoma Invasion and Metastasis-1 PDZ Domain Quadruple Mutant (QM) in Complex With Neurexin-1 Peptide
Descriptor: 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, 5-(DIMETHYLAMINO)-1-NAPHTHALENESULFONIC ACID(DANSYL ACID), Neurexin-2-beta Peptide, ...
Authors:Liu, X, Speckhard, D.C, Shepherd, T.R, Hengel, S.R, Fuentes, E.J.
Deposit date:2013-12-09
Release date:2015-05-13
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Distinct Roles for Conformational Dynamics in Protein-Ligand Interactions.
Structure, 24, 2016
2YEF
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BU of 2yef by Molmil
HSP90 inhibitors and drugs from fragment and virtual screening
Descriptor: HEAT SHOCK PROTEIN HSP 90-ALPHA, MAGNESIUM ION, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER
Authors:Roughley, S.D, Hubbard, R.E, Baker, L.M.
Deposit date:2011-03-25
Release date:2011-06-15
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (1.55 Å)
Cite:How Well Can Fragments Explore Accessed Chemical Space? a Case Study from Heat Shock Protein 90.
J.Med.Chem., 54, 2011
2YHM
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BU of 2yhm by Molmil
Structure of respiratory syncytial virus nucleocapsid protein, P212121 crystal form
Descriptor: NUCLEOPROTEIN, RNA
Authors:El Omari, K, Dhaliwal, B, Ren, J, Abrescia, N.G.A, Lockyer, M, Powell, K.L, Hawkins, A.R, Stammers, D.K.
Deposit date:2011-05-04
Release date:2012-01-25
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (3.6 Å)
Cite:Structures of Respiratory Syncytial Virus Nucleocapsid Protein from Two Crystal Forms: Details of Potential Packing Interactions in the Native Helical Form.
Acta Crystallogr.,Sect.F, 67, 2011
8CY0
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BU of 8cy0 by Molmil
CamA Adenine Methyltransferase Complexed to Cognate Substrate DNA and Inhibitor MC4756 (Compound 178)
Descriptor: 1,2-ETHANEDIOL, DNA (5'-D(*AP*TP*GP*GP*GP*AP*CP*TP*TP*TP*TP*TP*GP*A)-3'), N-(4-phenylbutyl)adenosine, ...
Authors:Zhou, J, Horton, J.R, Cheng, X.
Deposit date:2022-05-22
Release date:2023-01-11
Last modified:2024-05-22
Method:X-RAY DIFFRACTION (2.65 Å)
Cite:Systematic Design of Adenosine Analogs as Inhibitors of a Clostridioides difficile- Specific DNA Adenine Methyltransferase Required for Normal Sporulation and Persistence.
J.Med.Chem., 66, 2023
4O1N
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BU of 4o1n by Molmil
Crystal structure of Staphylococcal superantigen-like protein SAOUHSC_00383
Descriptor: GLYCEROL, Superantigen-like protein
Authors:Dutta, D, Dutta, A, Basak, A, Das, A.K.
Deposit date:2013-12-16
Release date:2014-12-24
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Crystal structure of Staphylococcal superantigen-like protein SAOUHSC_00383
To be Published
6BI8
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BU of 6bi8 by Molmil
X-ray structure of MERS coronavirus papain-like protease in complex with human ISG15
Descriptor: 1,2-ETHANEDIOL, CITRIC ACID, GLYCEROL, ...
Authors:Clasman, J.C, Mesecar, A.D.
Deposit date:2017-11-01
Release date:2018-11-07
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.291 Å)
Cite:Decoupling deISGylating and deubiquitinating activities of the MERS virus papain-like protease.
Antiviral Res., 174, 2020
4AAE
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BU of 4aae by Molmil
Crystal structure of the mutant D75N I-CreI in complex with an altered target (The four central bases, 2NN region, are composed by AGCG from 5' to 3')
Descriptor: 24MER DNA, DNA ENDONUCLEASE I-CREI
Authors:Molina, R, Redondo, P, Stella, S, Marenchino, M, D'Abramo, M, Gervasio, F.L, Epinat, J.C, Valton, J, Grizot, S, Duchateau, P, Prieto, J, Montoya, G.
Deposit date:2011-12-01
Release date:2012-05-02
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Non-Specific Protein-DNA Interactions Control I-Crei Target Binding and Cleavage.
Nucleic Acids Res., 40, 2012
3DOP
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BU of 3dop by Molmil
Crystal structure of 5beta-reductase (AKR1D1) in complex with NADP+ and 5beta-dihydrotestosterone, Resolution 2.00A
Descriptor: 3-oxo-5-beta-steroid 4-dehydrogenase, 5-beta-DIHYDROTESTOSTERONE, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE
Authors:Di Costanzo, L, Drury, J.E, Penning, T.M, Christianson, D.W.
Deposit date:2008-07-05
Release date:2008-10-28
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (2 Å)
Cite:Structure and catalytic mechanism of human steroid 5beta-reductase (AKR1D1)
Mol.Cell.Endocrinol., 301, 2009
3KV0
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BU of 3kv0 by Molmil
Crystal structure of HET-C2: A FUNGAL GLYCOLIPID TRANSFER PROTEIN (GLTP)
Descriptor: HET-C2
Authors:Simanshu, D.K, Kenoth, R, Brown, R.E, Patel, D.J.
Deposit date:2009-11-28
Release date:2010-02-23
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Structural determination and tryptophan fluorescence of heterokaryon incompatibility C2 protein (HET-C2), a fungal glycolipid transfer protein (GLTP), provide novel insights into glycolipid specificity and membrane interaction by the GLTP fold.
J.Biol.Chem., 285, 2010
2YEC
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BU of 2yec by Molmil
HSP90 inhibitors and drugs from fragment and virtual screening
Descriptor: 3-METHYL-1H-INDAZOL-6-OL, HEAT SHOCK PROTEIN HSP 90-ALPHA, SULFATE ION
Authors:Roughley, S.D, Hubbard, R.E, Baker, L.M.
Deposit date:2011-03-25
Release date:2011-06-15
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:How Well Can Fragments Explore Accessed Chemical Space? a Case Study from Heat Shock Protein 90.
J.Med.Chem., 54, 2011
4U0Z
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BU of 4u0z by Molmil
Eukaryotic Fic Domain containing protein with bound APCPP
Descriptor: Adenosine monophosphate-protein transferase FICD, DIPHOSPHOMETHYLPHOSPHONIC ACID ADENOSYL ESTER, MAGNESIUM ION
Authors:Cole, A.R, Bunney, T.D, Katan, M.
Deposit date:2014-07-14
Release date:2014-12-10
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (2.95 Å)
Cite:Crystal structure of the human, FIC-domain containing protein HYPE and implications for its functions.
Structure, 22, 2014
7MY4
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BU of 7my4 by Molmil
Crystal Structure of the SPA17 Docking and Dimerization Domain from Danio rerio
Descriptor: Sperm autoantigenic protein 17
Authors:Dahlin, H.R, Zheng, N.
Deposit date:2021-05-20
Release date:2021-05-26
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.72 Å)
Cite:Beyond PKA: Evolutionary and structural insights that define a docking and dimerization domain superfamily.
J.Biol.Chem., 297, 2021
1M3A
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BU of 1m3a by Molmil
Solution structure of a circular form of the truncated N-terminal SH3 domain from oncogene protein c-Crk.
Descriptor: Proto-oncogene C-crk
Authors:Schumann, F.H, Varadan, R, Tayakuniyil, P.P, Hall, J.B, Camarero, J.A, Fushman, D.
Deposit date:2002-06-27
Release date:2003-08-05
Last modified:2024-10-09
Method:SOLUTION NMR
Cite:Changing protein backbone topology: Structural and dynamic consequences of the backbone cyclization in SH3 domain
To be Published
5OKM
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BU of 5okm by Molmil
Crystal structure of human SHIP2 Phosphatase-C2
Descriptor: 1,2-ETHANEDIOL, 2-[3-(2-HYDROXY-1,1-DIHYDROXYMETHYL-ETHYLAMINO)-PROPYLAMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, NITRATE ION, ...
Authors:Le Coq, J, Lietha, D.
Deposit date:2017-07-25
Release date:2017-08-23
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.96 Å)
Cite:Structural basis for interdomain communication in SHIP2 providing high phosphatase activity.
Elife, 6, 2017
2YEB
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BU of 2yeb by Molmil
HSP90 inhibitors and drugs from fragment and virtual screening
Descriptor: 1H-INDAZOL-6-OL, CHLORIDE ION, HEAT SHOCK PROTEIN HSP 90-ALPHA
Authors:Roughley, S.D, Hubbard, R.E, Baker, L.M.
Deposit date:2011-03-25
Release date:2011-06-15
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:How Well Can Fragments Explore Accessed Chemical Space? a Case Study from Heat Shock Protein 90.
J.Med.Chem., 54, 2011
6WTX
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BU of 6wtx by Molmil
Structure of VcINDY in complex with terephthalate
Descriptor: DASS family sodium-coupled anion symporter, SODIUM ION, terephthalic acid
Authors:Sauer, D.B, Marden, J.J, Wang, D.N.
Deposit date:2020-05-04
Release date:2020-09-16
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (3.92 Å)
Cite:Structural basis for the reaction cycle of DASS dicarboxylate transporters.
Elife, 9, 2020
9BE1
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BU of 9be1 by Molmil
CG-centric NF-kappaB RelA binding DNA
Descriptor: ACETATE ION, DNA (5'-D(*CP*GP*GP*GP*AP*AP*TP*TP*TP*CP*CP*GP*CP*GP*GP*AP*AP*AP*TP*TP*CP*CP*CP*G)-3'), ZINC ION
Authors:Biswas, T, Shahabi, S, Tsodikov, O.V, Wang, V, Ghosh, G.
Deposit date:2024-04-13
Release date:2024-08-07
Last modified:2024-08-21
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Transient interactions modulate the affinity of NF-kappa B transcription factors for DNA.
Proc.Natl.Acad.Sci.USA, 121, 2024
1M6D
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BU of 1m6d by Molmil
Crystal structure of human cathepsin F
Descriptor: 4-MORPHOLIN-4-YL-PIPERIDINE-1-CARBOXYLIC ACID [1-(3-BENZENESULFONYL-1-PROPYL-ALLYLCARBAMOYL)-2-PHENYLETHYL]-AMIDE, Cathepsin F
Authors:Somoza, J.R, Palmer, J.T, Ho, J.D.
Deposit date:2002-07-15
Release date:2003-07-15
Last modified:2024-12-25
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:The crystal structure of human cathepsin F and its implications for the development of novel immunomodulators
J.Mol.Biol., 322, 2002
1M4V
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BU of 1m4v by Molmil
Crystal structure of SET3, a superantigen-like protein from Staphylococcus aureus
Descriptor: SET3, superantigen-like protein
Authors:Arcus, V.L, Langley, R, Proft, T, Fraser, J.D, Baker, E.N.
Deposit date:2002-07-05
Release date:2002-07-17
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:The three-dimensional structure of a superantigen-like protein, SET3, from a pathogenicity island of the Staphylococcus aureus genome
J.Biol.Chem., 277, 2002
4A1T
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BU of 4a1t by Molmil
Co-Complex of the of NS3-4A protease with the inhibitory peptide CP5- 46-A (in-House data)
Descriptor: 2,3-DIHYDROXY-1,4-DITHIOBUTANE, BICARBONATE ION, CHLORIDE ION, ...
Authors:Schmelz, S, Kuegler, J, Collins, J, Heinz, D.W.
Deposit date:2011-09-19
Release date:2012-09-19
Last modified:2024-11-20
Method:X-RAY DIFFRACTION (2.05 Å)
Cite:High Affinity Peptide Inhibitors of the Hepatitis C Virus Ns3-4A Protease Refractory to Common Resistant Mutants.
J.Biol.Chem., 287, 2012
6ZHE
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BU of 6zhe by Molmil
Cryo-EM structure of DNA-PK dimer
Descriptor: DNA (25-MER), DNA (26-MER), DNA (27-MER), ...
Authors:Chaplin, A.K, Hardwick, S.W, Chirgadze, D.Y, Blundell, T.L.
Deposit date:2020-06-23
Release date:2020-10-21
Last modified:2024-05-01
Method:ELECTRON MICROSCOPY (7.24 Å)
Cite:Dimers of DNA-PK create a stage for DNA double-strand break repair.
Nat.Struct.Mol.Biol., 28, 2021
4O29
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BU of 4o29 by Molmil
PROTEIN-L-ISOASPARTATE O-METHYLTRANSFERASE from Pyrobaculum aerophilum in COMPLEX WITH S-ADENOSYL-L-HOMOCYSTEINE
Descriptor: Protein-L-isoaspartate O-methyltransferase, S-ADENOSYL-L-HOMOCYSTEINE
Authors:Sawaya, M.R, Yeates, T.O, Griffith, S.C.
Deposit date:2013-12-17
Release date:2014-01-15
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:Structure of L-isoaspartyl (D-aspartyl) Methyltransferase
Thesis, University of California, Los Angeles, 2002

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