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4AMT
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BU of 4amt by Molmil
Crystal structure at 2.6A of human prorenin
Descriptor: RENIN, SULFATE ION, beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose
Authors:Zhou, A.
Deposit date:2012-03-13
Release date:2013-03-20
Last modified:2024-10-23
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:The Crystal Structure of Prorenin
To be Published
2QIQ
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BU of 2qiq by Molmil
Structure-based Design and Synthesis and Biological Evaluation of Peptidomimetic SARS-3CLpro Inhibitors
Descriptor: ETHYL (4R)-4-{[(2R,5S)-5-{[N-(TERT-BUTOXYCARBONYL)-L-SERYL]AMINO}-6-METHYL-2-(3-METHYLBUT-2-EN-1-YL)-4-OXOHEPTANOYL]AMINO}-5-[(3R)-2-OXOPYRROLIDIN-3-YL]PENTANOATE, Replicase polyprotein 1ab
Authors:Grum-Tokars, V.
Deposit date:2007-07-05
Release date:2008-02-12
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Structure-based design, synthesis, and biological evaluation of peptidomimetic SARS-CoV 3CLpro inhibitors.
Bioorg.Med.Chem.Lett., 17, 2007
119D
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BU of 119d by Molmil
CRYSTAL AND MOLECULAR STRUCTURE OF D(CGTAGATCTACG) AT 2.25 ANGSTROMS RESOLUTION
Descriptor: DNA (5'-D(*CP*GP*TP*AP*GP*AP*TP*CP*TP*AP*CP*G)-3'), MAGNESIUM ION
Authors:Leonard, G.A, Hunter, W.N.
Deposit date:1993-04-14
Release date:1993-10-15
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (2.25 Å)
Cite:Crystal and molecular structure of d(CGTAGATCTACG) at 2.25 A resolution.
J.Mol.Biol., 234, 1993
2QY0
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BU of 2qy0 by Molmil
Active dimeric structure of the catalytic domain of C1r reveals enzyme-product like contacts
Descriptor: Complement C1r subcomponent, GLYCEROL
Authors:Kardos, J, Harmat, V, Pallo, A, Barabas, O, Szilagyi, K, Graf, L, Naray-Szabo, G, Goto, Y, Zavodszky, P, Gal, P.
Deposit date:2007-08-13
Release date:2008-02-05
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Revisiting the mechanism of the autoactivation of the complement protease C1r in the C1 complex: Structure of the active catalytic region of C1r.
Mol.Immunol., 45, 2008
4BFP
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BU of 4bfp by Molmil
Crystal structure of human tankyrase 2 in complex with WIKI4
Descriptor: 2-[3-[[4-(4-methoxyphenyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]sulfanyl]propyl]benzo[de]isoquinoline-1,3-dione, SULFATE ION, TANKYRASE-2, ...
Authors:Haikarainen, T, Narwal, M, Lehtio, L.
Deposit date:2013-03-21
Release date:2013-06-19
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Structural Basis and Selectivity of Tankyrase Inhibition by a Wnt Signaling Inhibitor Wiki4
Plos One, 8, 2013
3OMH
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BU of 3omh by Molmil
Crystal structure of PTPN22 in complex with SKAP-HOM pTyr75 peptide
Descriptor: Src kinase-associated phosphoprotein 2, Tyrosine-protein phosphatase non-receptor type 22
Authors:Yu, X, Sun, J.-P, Zhang, S, Zhang, Z.-Y.
Deposit date:2010-08-26
Release date:2011-06-29
Last modified:2011-09-14
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:Substrate Specificity of Lymphoid-specific Tyrosine Phosphatase (Lyp) and Identification of Src Kinase-associated Protein of 55 kDa Homolog (SKAP-HOM) as a Lyp Substrate.
J.Biol.Chem., 286, 2011
144D
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BU of 144d by Molmil
MINOR GROOVE BINDING OF SN6999 TO AN ALKYLATED DNA: MOLECULAR STRUCTURE OF D(CGC[E6G]AATTCGCG)-SN6999 COMPLEX
Descriptor: 1-METHYL-4-[4-[4-(4-(1-METHYLQUINOLINIUM)AMINO)BENZAMIDO]ANILINO]PYRIDINIUM, DNA (5'-D(*CP*GP*CP*(G36)P*AP*AP*TP*TP*CP*GP*CP*G)-3')
Authors:Gao, Y.-G, Sriram, M, Denny, W.A, Wang, A.H.-J.
Deposit date:1993-10-26
Release date:1995-05-30
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (2.25 Å)
Cite:Minor groove binding of SN6999 to an alkylated DNA: molecular structure of d(CGC[e6G]AATTCGCG)-SN6999 complex.
Biochemistry, 32, 1993
1A1N
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BU of 1a1n by Molmil
MHC CLASS I MOLECULE B*3501 COMPLEXED WITH PEPTIDE VPLRPMTY FROM THE NEF PROTEIN (75-82) OF HIV1
Descriptor: Beta-2-microglobulin, HLA class I histocompatibility antigen, BW-53 B*5301 alpha chain, ...
Authors:Smith, K.J, Reid, S.W, Stuart, D.I, Mcmichael, A.J, Jones, E.Y, Bell, J.I.
Deposit date:1997-12-11
Release date:1998-04-08
Last modified:2023-08-02
Method:X-RAY DIFFRACTION (2 Å)
Cite:An altered position of the alpha 2 helix of MHC class I is revealed by the crystal structure of HLA-B*3501.
Immunity, 4, 1996
2QNI
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BU of 2qni by Molmil
Crystal structure of uncharacterized protein Atu0299
Descriptor: Uncharacterized protein Atu0299
Authors:Dong, A, Xu, X, Gu, J, Zheng, H, Edwards, A.M, Joachimiak, A, Savchenko, A, Midwest Center for Structural Genomics (MCSG)
Deposit date:2007-07-18
Release date:2007-08-07
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Crystal structure of uncharacterized protein Atu0299.
To be Published
4B6W
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BU of 4b6w by Molmil
Architecture of Trypanosoma brucei Tubulin-Binding cofactor B
Descriptor: 1,2-ETHANEDIOL, TUBULIN-SPECIFIC CHAPERONE
Authors:Fleming, J.R, Morgan, R.E, Fyfe, P.K, Kelly, S.M, Hunter, W.N.
Deposit date:2012-08-15
Release date:2012-08-22
Last modified:2024-10-23
Method:X-RAY DIFFRACTION (2.35 Å)
Cite:The Architecture of Trypanosoma Brucei Tubulin-Binding Cofactor B and Implications for Function.
FEBS J., 280, 2013
3OXR
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BU of 3oxr by Molmil
Crystal Structure of HLA A*02:06 Bound to HBV Core 18-27
Descriptor: 10mer peptide from Pre-core-protein, Beta-2-microglobulin, MHC class I antigen
Authors:Liu, J, Chen, Y, Lai, L, Ren, E.
Deposit date:2010-09-21
Release date:2011-05-04
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Structural insights into the binding of hepatitis B virus core peptide to HLA-A2 alleles: Towards designing better vaccines.
Eur.J.Immunol., 41, 2011
1A60
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BU of 1a60 by Molmil
NMR STRUCTURE OF A CLASSICAL PSEUDOKNOT: INTERPLAY OF SINGLE-AND DOUBLE-STRANDED RNA, 24 STRUCTURES
Descriptor: TYMV PSEUDOKNOT
Authors:Kolk, M.H, Van Der Graaf, M, Wijmenga, S.S, Pleij, C.W.A, Heus, H.A, Hilbers, C.W.
Deposit date:1998-03-04
Release date:1998-05-27
Last modified:2024-05-22
Method:SOLUTION NMR
Cite:NMR structure of a classical pseudoknot: interplay of single- and double-stranded RNA.
Science, 280, 1998
3P24
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BU of 3p24 by Molmil
Structure of profragilysin-3 from Bacteroides fragilis
Descriptor: AZIDE ION, BFT-3, GLYCEROL, ...
Authors:Goulas, T, Arolas, J.L, Gomis-Ruth, F.X.
Deposit date:2010-10-01
Release date:2010-12-29
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Structure, function and latency regulation of a bacterial enterotoxin potentially derived from a mammalian adamalysin/ADAM xenolog.
Proc.Natl.Acad.Sci.USA, 108, 2011
4C9T
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BU of 4c9t by Molmil
BACTERIAL CHALCONE ISOMERASE IN open CONFORMATION FROM EUBACTERIUM RAMULUS AT 2.0 A RESOLUTION, SelenoMet derivative
Descriptor: CHALCONE ISOMERASE, CHLORIDE ION, GLYCEROL, ...
Authors:Thomsen, M, Palm, G.J, Hinrichs, W.
Deposit date:2013-10-03
Release date:2014-10-22
Last modified:2015-04-22
Method:X-RAY DIFFRACTION (1.98 Å)
Cite:Structure and Catalytic Mechanism of the Evolutionarily Unique Bacterial Chalcone Isomerase
Acta Crystallogr.,Sect.D, 71, 2015
3OVJ
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BU of 3ovj by Molmil
Structure of an amyloid forming peptide KLVFFA from amyloid beta in complex with orange G
Descriptor: 7-hydroxy-8-[(E)-phenyldiazenyl]naphthalene-1,3-disulfonic acid, KLVFFA hexapeptide segment from Amyloid beta
Authors:Landau, M, Eisenberg, D.
Deposit date:2010-09-16
Release date:2011-07-06
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Towards a pharmacophore for amyloid.
Plos Biol., 9, 2011
3OXS
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BU of 3oxs by Molmil
Crystal Structure of HLA A*02:07 Bound to HBV Core 18-27
Descriptor: 10mer peptide from Pre-core-protein, Beta-2-microglobulin, MHC class I antigen
Authors:Liu, J, Chen, Y, Lai, L, Ren, E.
Deposit date:2010-09-22
Release date:2011-05-04
Last modified:2024-10-09
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:Structural insights into the binding of hepatitis B virus core peptide to HLA-A2 alleles: Towards designing better vaccines.
Eur.J.Immunol., 41, 2011
1A5I
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BU of 1a5i by Molmil
CATALYTIC DOMAIN OF VAMPIRE BAT (DESMODUS ROTUNDUS) SALIVA PLASMINOGEN ACTIVATOR IN COMPLEX WITH EGR-CMK (GLU-GLY-ARG CHLOROMETHYL KETONE)
Descriptor: L-alpha-glutamyl-N-{(1S)-4-{[amino(iminio)methyl]amino}-1-[(1S)-2-chloro-1-hydroxyethyl]butyl}glycinamide, PLASMINOGEN ACTIVATOR
Authors:Renatus, M, Stubbs, M.T, Bode, W.
Deposit date:1998-02-17
Release date:1999-03-23
Last modified:2023-08-02
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:Catalytic domain structure of vampire bat plasminogen activator: a molecular paradigm for proteolysis without activation cleavage.
Biochemistry, 36, 1997
1A6H
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BU of 1a6h by Molmil
DNA QUADRUPLEX CONTAINING GCGC TETRAD, NMR, 4 STRUCTURES
Descriptor: DNA (5'-D(GP*CP*GP*GP*TP*TP*TP*GP*CP*GP*G)-3')
Authors:Kettani, A, Kumar, R.A, Patel, D.J.
Deposit date:1998-02-25
Release date:1998-06-17
Last modified:2024-05-22
Method:SOLUTION NMR
Cite:Solution structure of a DNA quadruplex containing the fragile X syndrome triplet repeat.
J.Mol.Biol., 254, 1995
1IJI
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BU of 1iji by Molmil
Crystal Structure of L-Histidinol Phosphate Aminotransferase with PLP
Descriptor: Histidinol Phosphate Aminotransferase, PYRIDOXAL-5'-PHOSPHATE
Authors:Sivaraman, J, Li, Y, Larocque, R, Schrag, J.D, Cygler, M, Matte, A.
Deposit date:2001-04-26
Release date:2001-08-29
Last modified:2017-10-04
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Crystal structure of histidinol phosphate aminotransferase (HisC) from Escherichia coli, and its covalent complex with pyridoxal-5'-phosphate and l-histidinol phosphate.
J.Mol.Biol., 311, 2001
3OVL
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BU of 3ovl by Molmil
Structure of an amyloid forming peptide VQIVYK from the TAU protein in complex with orange G
Descriptor: 7-hydroxy-8-[(E)-phenyldiazenyl]naphthalene-1,3-disulfonic acid, ACETIC ACID, Microtubule-associated protein, ...
Authors:Landau, M, Eisenberg, D.
Deposit date:2010-09-16
Release date:2011-07-06
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (1.81 Å)
Cite:Towards a pharmacophore for amyloid.
Plos Biol., 9, 2011
1A8K
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BU of 1a8k by Molmil
CRYSTALLOGRAPHIC ANALYSIS OF HUMAN IMMUNODEFICIENCY VIRUS 1 PROTEASE WITH AN ANALOG OF THE CONSERVED CA-P2 SUBSTRATE: INTERACTIONS WITH FREQUENTLY OCCURRING GLUTAMIC ACID RESIDUE AT P2' POSITION OF SUBSTRATES
Descriptor: HIV PROTEASE, N-[(2R)-2-({N~5~-[amino(iminio)methyl]-L-ornithyl-L-valyl}amino)-4-methylpentyl]-L-phenylalanyl-L-alpha-glutamyl-L-alanyl-L-norleucinamide
Authors:Weber, I.T, Wu, J, Adomat, J, Harrison, R.W, Kimmel, A.R, Wondrak, E.M, Louis, J.M.
Deposit date:1998-03-27
Release date:1999-01-13
Last modified:2024-05-22
Method:X-RAY DIFFRACTION (2 Å)
Cite:Crystallographic analysis of human immunodeficiency virus 1 protease with an analog of the conserved CA-p2 substrate -- interactions with frequently occurring glutamic acid residue at P2' position of substrates.
Eur.J.Biochem., 249, 1997
2QVT
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BU of 2qvt by Molmil
Structure of Melampsora lini avirulence protein, AvrL567-D
Descriptor: AvrL567-D
Authors:Guncar, G, Wang, C.I, Forwood, J.K, Teh, T, Catanzariti, A.M, Lawrence, G, Schirra, H.J, Anderson, P.A, Ellis, J.G, Dodds, P.N, Kobe, B.
Deposit date:2007-08-08
Release date:2007-10-30
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2.26 Å)
Cite:Crystal structures of flax rust avirulence proteins AvrL567-A and -D reveal details of the structural basis for flax disease resistance specificity.
Plant Cell, 19, 2007
4BTH
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BU of 4bth by Molmil
The LeuA146Trp,PheB24Tyr Double Mutant of the Quorum Quenching N-acyl Homoserine Lactone Acylase PvdQ Has an Altered Substrate Specificity Towards Small Acyl Chains
Descriptor: ACYL-HOMOSERINE LACTONE ACYLASE PVDQ SUBUNIT ALPHA, ACYL-HOMOSERINE LACTONE ACYLASE PVDQ SUBUNIT BETA, GLYCEROL
Authors:Koch, G, Nadal-Jimenez, P, Reis, C.R, Muntendam, R, Bokhove, M, Melillo, E, Dijkstra, B.W, Cool, R.H, Quax, W.J.
Deposit date:2013-06-18
Release date:2014-01-22
Last modified:2024-10-16
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Reducing Virulence of the Human Pathogen Burkholderia by Altering the Substrate Specificity of the Quorum-Quenching Acylase Pvdq
Proc.Natl.Acad.Sci.USA, 111, 2014
3OX8
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BU of 3ox8 by Molmil
Crystal Structure of HLA A*02:03 Bound to HBV Core 18-27
Descriptor: 10mer peptide from Pre-core-protein, Beta-2-microglobulin, MHC class I antigen
Authors:Liu, J, Chen, Y, Lai, L, Ren, E.
Deposit date:2010-09-21
Release date:2011-05-04
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.16 Å)
Cite:Structural insights into the binding of hepatitis B virus core peptide to HLA-A2 alleles: Towards designing better vaccines.
Eur.J.Immunol., 41, 2011
1AUY
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BU of 1auy by Molmil
TURNIP YELLOW MOSAIC VIRUS
Descriptor: TURNIP YELLOW MOSAIC VIRUS
Authors:Canady, M.A, Larson, S.B, Day, J, McPherson, A.
Deposit date:1997-09-07
Release date:1998-03-18
Last modified:2024-10-23
Method:X-RAY DIFFRACTION (3 Å)
Cite:Crystal structure of turnip yellow mosaic virus.
Nat.Struct.Biol., 3, 1996

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