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2M4Z
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BU of 2m4z by Molmil
Analysis of the structural and molecular basis of voltage-sensitive sodium channel inhibition by the spider toxin, Huwentoxin-IV (-TRTX-Hh2a).
Descriptor: Mu-theraphotoxin-Hh2a
Authors:Gibbs, A.
Deposit date:2013-02-12
Release date:2013-06-19
Last modified:2023-06-14
Method:SOLUTION NMR
Cite:Analysis of the Structural and Molecular Basis of Voltage-sensitive Sodium Channel Inhibition by the Spider Toxin Huwentoxin-IV ( mu-TRTX-Hh2a).
J.Biol.Chem., 288, 2013
2ZZ8
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BU of 2zz8 by Molmil
Crystal structure of LipL32, the most abundant surface protein of pathogenic leptospira spp
Descriptor: LipL32 protein
Authors:Vivian, J.P, Beddoe, T, Rossjohn, J.
Deposit date:2009-02-06
Release date:2009-02-24
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (2.01 Å)
Cite:Crystal structure of LipL32, the most abundant surface protein of pathogenic Leptospira spp.
J.Mol.Biol., 387, 2009
2MUQ
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BU of 2muq by Molmil
Solution Structure of the Human FAAP20 UBZ
Descriptor: Fanconi anemia-associated protein of 20 kDa, ZINC ION
Authors:Wojtaszek, J.L, Wang, S, Zhou, P.
Deposit date:2014-09-16
Release date:2014-12-03
Last modified:2024-05-15
Method:SOLUTION NMR
Cite:Ubiquitin recognition by FAAP20 expands the complex interface beyond the canonical UBZ domain.
Nucleic Acids Res., 42, 2014
2MUR
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BU of 2mur by Molmil
Solution Structure of the Human FAAP20 UBZ-Ubiquitin Complex
Descriptor: Fanconi anemia-associated protein of 20 kDa, Ubiquitin, ZINC ION
Authors:Wang, S, Wojtaszek, J.L, Zhou, P.
Deposit date:2014-09-16
Release date:2014-12-03
Last modified:2024-05-15
Method:SOLUTION NMR
Cite:Ubiquitin recognition by FAAP20 expands the complex interface beyond the canonical UBZ domain.
Nucleic Acids Res., 42, 2014
3BEJ
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BU of 3bej by Molmil
Structure of human FXR in complex with MFA-1 and co-activator peptide
Descriptor: (8alpha,10alpha,13alpha,17beta)-17-[(4-hydroxyphenyl)carbonyl]androsta-3,5-diene-3-carboxylic acid, Bile acid receptor, Nuclear receptor coactivator 1, ...
Authors:Soisson, S.M, Parthasarathy, G, Becker, J.W.
Deposit date:2007-11-19
Release date:2008-03-18
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Identification of a potent synthetic FXR agonist with an unexpected mode of binding and activation.
Proc.Natl.Acad.Sci.Usa, 105, 2008
3AIE
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BU of 3aie by Molmil
Crystal Structure of glucansucrase from Streptococcus mutans
Descriptor: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CALCIUM ION, Glucosyltransferase-SI
Authors:Ito, K, Ito, S, Shimamura, T, Iwata, S.
Deposit date:2010-05-12
Release date:2011-03-23
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Crystal structure of glucansucrase from the dental caries pathogen Streptococcus mutans.
J.Mol.Biol., 408, 2011
3AQP
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BU of 3aqp by Molmil
Crystal structure of SecDF, a translocon-associated membrane protein, from Thermus thrmophilus
Descriptor: Probable SecDF protein-export membrane protein
Authors:Tsukazaki, T, Mori, H, Echizen, Y, Ishitani, R, Fukai, S, Tanaka, T, Perederina, A, Vassylyev, D.G, Kohno, T, Ito, K, Nureki, O.
Deposit date:2010-11-16
Release date:2011-05-18
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (3.3 Å)
Cite:Structure and function of a membrane component SecDF that enhances protein export
Nature, 474, 2011
3AQO
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BU of 3aqo by Molmil
Structure and function of a membrane component SecDF that enhances protein export
Descriptor: Probable SecDF protein-export membrane protein
Authors:Echizen, Y, Tsukazaki, T, Ishitani, R, Nureki, O.
Deposit date:2010-11-16
Release date:2011-05-18
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Structure and function of a membrane component SecDF that enhances protein export.
Nature, 474, 2011
2OMV
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BU of 2omv by Molmil
Crystal structure of InlA S192N Y369S/hEC1 complex
Descriptor: CALCIUM ION, CHLORIDE ION, Epithelial-cadherin, ...
Authors:Wollert, T, Heinz, D.W, Schubert, W.D.
Deposit date:2007-01-23
Release date:2007-06-05
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Extending the host range of Listeria monocytogenes by rational protein design.
Cell(Cambridge,Mass.), 129, 2007
2OMY
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BU of 2omy by Molmil
Crystal structure of InlA S192N/hEC1 complex
Descriptor: CALCIUM ION, CHLORIDE ION, Epithelial-cadherin, ...
Authors:Wollert, T, Heinz, D.W, Schubert, W.D.
Deposit date:2007-01-23
Release date:2007-06-05
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Extending the host range of Listeria monocytogenes by rational protein design.
Cell(Cambridge,Mass.), 129, 2007
2OMW
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BU of 2omw by Molmil
Crystal structure of InlA S192N Y369S/mEC1 complex
Descriptor: CHLORIDE ION, Epithelial-cadherin, Internalin-A
Authors:Wollert, T, Heinz, D.W, Schubert, W.D.
Deposit date:2007-01-23
Release date:2007-06-05
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Extending the host range of Listeria monocytogenes by rational protein design.
Cell(Cambridge,Mass.), 129, 2007
2OIN
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BU of 2oin by Molmil
crystal structure of HCV NS3-4A R155K mutant
Descriptor: NS4A peptide, Polyprotein, ZINC ION
Authors:Wei, Y.
Deposit date:2007-01-11
Release date:2007-06-05
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Phenotypic and structural analyses of hepatitis C virus NS3 protease Arg155 variants: sensitivity to telaprevir (VX-950) and interferon alpha.
J.Biol.Chem., 282, 2007
3BPN
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BU of 3bpn by Molmil
Crystal structure of the IL4-IL4R-IL13Ra ternary complex
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Interleukin-13 receptor alpha-1 chain, Interleukin-4, ...
Authors:Garcia, K.C.
Deposit date:2007-12-18
Release date:2008-02-05
Last modified:2021-10-20
Method:X-RAY DIFFRACTION (3.02 Å)
Cite:Molecular and Structural Basis of Cytokine Receptor Pleiotropy in the Interleukin-4/13 System.
Cell(Cambridge,Mass.), 132, 2008
3AIC
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BU of 3aic by Molmil
Crystal Structure of Glucansucrase from Streptococcus mutans
Descriptor: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 4,6-dideoxy-4-{[(1S,4R,5S,6S)-4,5,6-trihydroxy-3-(hydroxymethyl)cyclohex-2-en-1-yl]amino}-alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose, CALCIUM ION, ...
Authors:Ito, K, Ito, S, Shimamura, T, Iwata, S.
Deposit date:2010-05-12
Release date:2011-03-23
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (3.11 Å)
Cite:Crystal structure of glucansucrase from the dental caries pathogen Streptococcus mutans.
J.Mol.Biol., 408, 2011
3BPL
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BU of 3bpl by Molmil
Crystal structure of the IL4-IL4R-Common Gamma ternary complex
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Garcia, K.C.
Deposit date:2007-12-18
Release date:2008-02-05
Last modified:2021-10-20
Method:X-RAY DIFFRACTION (2.93 Å)
Cite:Molecular and Structural Basis of Cytokine Receptor Pleiotropy in the Interleukin-4/13 System.
Cell(Cambridge,Mass.), 132, 2008
3BPO
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BU of 3bpo by Molmil
Crystal structure of the IL13-IL4R-IL13Ra ternary complex
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Interleukin 13, ...
Authors:Garcia, K.C.
Deposit date:2007-12-18
Release date:2008-02-05
Last modified:2021-10-20
Method:X-RAY DIFFRACTION (3 Å)
Cite:Molecular and Structural Basis of Cytokine Receptor Pleiotropy in the Interleukin-4/13 System.
Cell(Cambridge,Mass.), 132, 2008
2Q11
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BU of 2q11 by Molmil
Structure of BACE complexed to compound 1
Descriptor: 3-(2-AMINO-6-BENZOYLQUINAZOLIN-3(4H)-YL)-N-CYCLOHEXYL-N-METHYLPROPANAMIDE, Beta-secretase 1
Authors:Sharff, A.J.
Deposit date:2007-05-23
Release date:2007-08-14
Last modified:2021-10-20
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:2-Amino-3,4-dihydroquinazolines as inhibitors of BACE-1 (beta-Site APP cleaving enzyme): Use of structure based design to convert a micromolar hit into a nanomolar lead.
J.Med.Chem., 50, 2007
1XWW
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BU of 1xww by Molmil
Crystal Structure of Human B-form Low Molecular Weight Phosphotyrosyl Phosphatase at 1.6 Angstrom Resolution
Descriptor: GLYCEROL, Low molecular weight phosphotyrosine protein phosphatase, SULFATE ION
Authors:Stauffacher, C.V, Zabell, A.P.R.
Deposit date:2004-11-02
Release date:2005-11-01
Last modified:2023-08-23
Method:X-RAY DIFFRACTION (1.63 Å)
Cite:Crystal structure of the human B-form low molecular weight phosphotyrosyl phosphatase at 1.6-A resolution.
J.Biol.Chem., 281, 2006
2Q15
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BU of 2q15 by Molmil
Structure of BACE complexed to compound 3a
Descriptor: (4S)-4-(2-AMINO-6-PHENOXYQUINAZOLIN-3(4H)-YL)-N,4-DICYCLOHEXYL-N-METHYLBUTANAMIDE, Beta-secretase 1
Authors:Sharff, A.J.
Deposit date:2007-05-23
Release date:2007-08-14
Last modified:2021-10-20
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:2-Amino-3,4-dihydroquinazolines as inhibitors of BACE-1 (beta-Site APP cleaving enzyme): Use of structure based design to convert a micromolar hit into a nanomolar lead.
J.Med.Chem., 50, 2007
3D14
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BU of 3d14 by Molmil
Crystal structure of mouse Aurora A (Asn186->Gly, Lys240->Arg, Met302->Leu) in complex with 1-{5-[2-(thieno[3,2-d]pyrimidin-4-ylamino)-ethyl]- thiazol-2-yl}-3-(3-trifluoromethyl-phenyl)-urea
Descriptor: 1-{5-[2-(thieno[3,2-d]pyrimidin-4-ylamino)ethyl]-1,3-thiazol-2-yl}-3-[3-(trifluoromethyl)phenyl]urea, serine/threonine kinase 6
Authors:Elling, R.A, Baskaran, S, Allen, D.A, Oslob, J.D, Romanowski, M.J.
Deposit date:2008-05-04
Release date:2008-08-26
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Discovery of a potent and selective aurora kinase inhibitor.
Bioorg.Med.Chem.Lett., 18, 2008
3CR5
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BU of 3cr5 by Molmil
X-ray structure of bovine Pnt-Zn(2+),Ca(2+)-S100B
Descriptor: 1,5-BIS(4-AMIDINOPHENOXY)PENTANE, CALCIUM ION, Protein S100-B, ...
Authors:Charpentier, T.H.
Deposit date:2008-04-04
Release date:2008-06-24
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Divalent metal ion complexes of S100B in the absence and presence of pentamidine.
J.Mol.Biol., 382, 2008
3CTQ
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BU of 3ctq by Molmil
Structure of MAP kinase p38 in complex with a 1-o-tolyl-1,2,3-triazole-4-carboxamide
Descriptor: Mitogen-activated protein kinase 14, N-benzyl-1-[5-({5-tert-butyl-2-methoxy-3-[(methylsulfonyl)amino]phenyl}carbamoyl)-2-methylphenyl]-1H-1,2,3-triazole-4-carboxamide
Authors:Qian, K.
Deposit date:2008-04-14
Release date:2008-05-27
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Structure-based design and subsequent optimization of 2-tolyl-(1,2,3-triazol-1-yl-4-carboxamide) inhibitors of p38 MAP kinase.
Bioorg.Med.Chem.Lett., 18, 2008
3CR2
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BU of 3cr2 by Molmil
X-ray structure of bovine Zn(2+),Ca(2+)-S100B
Descriptor: CALCIUM ION, Protein S100-B, ZINC ION
Authors:Charpentier, T.H.
Deposit date:2008-04-04
Release date:2008-06-24
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (1.88 Å)
Cite:Divalent metal ion complexes of S100B in the absence and presence of pentamidine.
J.Mol.Biol., 382, 2008
3AIB
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BU of 3aib by Molmil
Crystal Structure of Glucansucrase
Descriptor: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CALCIUM ION, Glucosyltransferase-SI, ...
Authors:Ito, K, Ito, S, Shimamura, T, Iwata, S.
Deposit date:2010-05-12
Release date:2011-03-23
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (3.09 Å)
Cite:Crystal structure of glucansucrase from the dental caries pathogen Streptococcus mutans.
J.Mol.Biol., 408, 2011
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

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