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2PJY
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BU of 2pjy by Molmil
Structural basis for cooperative assembly of the TGF-beta signaling complex
分子名称: TGF-beta receptor type-1, TGF-beta receptor type-2, Transforming growth factor beta-3
著者Groppe, J, Zubieta, C.
登録日2007-04-16
公開日2008-02-05
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (3 Å)
主引用文献Cooperative assembly of TGF-beta superfamily signaling complexes is mediated by two disparate mechanisms and distinct modes of receptor binding.
Mol.Cell, 29, 2008
2Q11
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BU of 2q11 by Molmil
Structure of BACE complexed to compound 1
分子名称: 3-(2-AMINO-6-BENZOYLQUINAZOLIN-3(4H)-YL)-N-CYCLOHEXYL-N-METHYLPROPANAMIDE, Beta-secretase 1
著者Sharff, A.J.
登録日2007-05-23
公開日2007-08-14
最終更新日2021-10-20
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献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
2PG2
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BU of 2pg2 by Molmil
Crystal structure of KSP in complex with ADP and thiophene containing inhibitor 15
分子名称: ADENOSINE-5'-DIPHOSPHATE, Kinesin-like protein KIF11, MAGNESIUM ION, ...
著者Lee, T.T.
登録日2007-04-06
公開日2007-06-05
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (1.849 Å)
主引用文献Synthesis and SAR of thiophene containing kinesin spindle protein (KSP) inhibitors
Bioorg.Med.Chem.Lett., 17, 2007
2Q15
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BU of 2q15 by Molmil
Structure of BACE complexed to compound 3a
分子名称: (4S)-4-(2-AMINO-6-PHENOXYQUINAZOLIN-3(4H)-YL)-N,4-DICYCLOHEXYL-N-METHYLBUTANAMIDE, Beta-secretase 1
著者Sharff, A.J.
登録日2007-05-23
公開日2007-08-14
最終更新日2021-10-20
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献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
1T14
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BU of 1t14 by Molmil
Crystal structure of LUSH from Drosophila melanogaster: apo protein
分子名称: ACETATE ION, lush
著者Kruse, S.W, Jones, D.N.M.
登録日2004-04-15
公開日2005-04-26
最終更新日2023-08-23
実験手法X-RAY DIFFRACTION (1.86 Å)
主引用文献The role of multiple hydrogen-bonding groups in specific alcohol binding sites in proteins: insights from structural studies of LUSH.
J.Mol.Biol., 376, 2008
4HQX
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BU of 4hqx by Molmil
CRYSTAL STRUCTURE OF HUMAN PDGF-BB IN COMPLEX WITH A Modified nucleotide aptamer (SOMAmer SL4)
分子名称: MAGNESIUM ION, Platelet-derived growth factor subunit B, SODIUM ION, ...
著者Davies, D.R, Edwards, T.E, Janjic, N, Gelinas, A.D, Zhang, C, Jarvis, T.C.
登録日2012-10-26
公開日2012-11-21
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Unique motifs and hydrophobic interactions shape the binding of modified DNA ligands to protein targets.
Proc.Natl.Acad.Sci.USA, 109, 2012
5LPR
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BU of 5lpr by Molmil
STRUCTURAL BASIS FOR BROAD SPECIFICITY IN ALPHA-LYTIC PROTEASE MUTANTS
分子名称: ALPHA-LYTIC PROTEASE, METHOXYSUCCINYL-ALA-ALA-PRO-ALANINE BORONIC ACID INHIBITOR, SULFATE ION
著者Fujishige, A, Bone, R, Agard, D.A.
登録日1991-08-05
公開日1993-01-15
最終更新日2024-06-05
実験手法X-RAY DIFFRACTION (2.13 Å)
主引用文献Structural basis for broad specificity in alpha-lytic protease mutants.
Biochemistry, 30, 1991
4I53
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BU of 4i53 by Molmil
Crystal structure of clade C1086 HIV-1 gp120 core in complex with DMJ-II-121
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, FORMIC ACID, HIV-1 glycoprotein, ...
著者Le-Khac, M, Hendrickson, W.A.
登録日2012-11-28
公開日2013-05-29
最終更新日2021-05-26
実験手法X-RAY DIFFRACTION (2.5002 Å)
主引用文献Structure-Based Design and Synthesis of an HIV-1 Entry Inhibitor Exploiting X-Ray and Thermodynamic Characterization.
ACS Med Chem Lett, 4, 2013
4JLC
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BU of 4jlc by Molmil
Crystal structure of mouse TBK1 bound to SU6668
分子名称: 3-{2,4-dimethyl-5-[(Z)-(2-oxo-1,2-dihydro-3H-indol-3-ylidene)methyl]-1H-pyrrol-3-yl}propanoic acid, Serine/threonine-protein kinase TBK1
著者Li, P.
登録日2013-03-12
公開日2013-06-19
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (3 Å)
主引用文献Structural Insights into the Functions of TBK1 in Innate Antimicrobial Immunity.
Structure, 21, 2013
4JKM
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BU of 4jkm by Molmil
Crystal Structure of Clostridium perfringens beta-glucuronidase
分子名称: Beta-glucuronidase, Maltose-binding periplasmic protein
著者Wallace, B.D, Redinbo, M.R.
登録日2013-03-09
公開日2014-09-17
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.263 Å)
主引用文献Structure and Inhibition of Microbiome beta-Glucuronidases Essential to the Alleviation of Cancer Drug Toxicity.
Chem.Biol., 22, 2015
4JY4
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BU of 4jy4 by Molmil
Crystal structure of human Fab PGT121, a broadly reactive and potent HIV-1 neutralizing antibody
分子名称: GLYCEROL, N-acetyl-alpha-neuraminic acid-(2-6)-beta-D-galactopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(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)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, PGT121 heavy chain, ...
著者Julien, J.-P, Diwanji, D.C, Burton, D.R, Wilson, I.A.
登録日2013-03-29
公開日2013-05-15
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Broadly neutralizing antibody PGT121 allosterically modulates CD4 binding via recognition of the HIV-1 gp120 V3 base and multiple surrounding glycans.
Plos Pathog., 9, 2013
4JM2
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BU of 4jm2 by Molmil
Crystal Structure of PGT 135 Fab in Complex with gp120 Core Protein from HIV-1 Strain JR-FL Bound to CD4 and 17b Fab
分子名称: 17b Heavy chain, 17b Light chain, 2-acetamido-2-deoxy-beta-D-glucopyranose, ...
著者Kong, L, Wilson, I.A.
登録日2013-03-13
公開日2013-05-29
最終更新日2020-07-29
実験手法X-RAY DIFFRACTION (3.1 Å)
主引用文献Supersite of immune vulnerability on the glycosylated face of HIV-1 envelope glycoprotein gp120.
Nat.Struct.Mol.Biol., 20, 2013
4IWD
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BU of 4iwd by Molmil
Structure of dually phosphorylated c-MET receptor kinase in complex with an MK-8033 analog
分子名称: 1-{5-oxo-3-[1-(piperidin-4-yl)-1H-pyrazol-4-yl]-5H-benzo[4,5]cyclohepta[1,2-b]pyridin-7-yl}-N-(pyridin-2-ylmethyl)methanesulfonamide, Hepatocyte growth factor receptor
著者Soisson, S.M, Northrup, A, Rickert, K, Patel, S, Allison, T.
登録日2013-01-23
公開日2013-12-11
最終更新日2017-11-15
実験手法X-RAY DIFFRACTION (1.99 Å)
主引用文献Discovery of 1-[3-(1-methyl-1H-pyrazol-4-yl)-5-oxo-5H-benzo[4,5]cyclohepta[1,2-b]pyridin-7-yl]-N-(pyridin-2-ylmethyl)methanesulfonamide (MK-8033): A Specific c-Met/Ron dual kinase inhibitor with preferential affinity for the activated state of c-Met.
J.Med.Chem., 56, 2013
4JY6
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BU of 4jy6 by Molmil
Crystal structure of human Fab PGT123, a broadly reactive and potent HIV-1 neutralizing antibody
分子名称: GLYCEROL, PGT123 heavy chain, PGT123 light chain, ...
著者Julien, J.-P, Diwanji, D.C, Burton, D.R, Wilson, I.A.
登録日2013-03-29
公開日2013-05-08
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Broadly Neutralizing Antibody PGT121 Allosterically Modulates CD4 Binding via Recognition of the HIV-1 gp120 V3 Base and Multiple Surrounding Glycans.
Plos Pathog., 9, 2013
4JL9
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BU of 4jl9 by Molmil
Crystal structure of mouse TBK1 bound to BX795
分子名称: N-(3-{[5-iodo-4-({3-[(thiophen-2-ylcarbonyl)amino]propyl}amino)pyrimidin-2-yl]amino}phenyl)pyrrolidine-1-carboxamide, Serine/threonine-protein kinase TBK1
著者Li, P, Shu, C.
登録日2013-03-12
公開日2013-06-19
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (3.0999 Å)
主引用文献Structural Insights into the Functions of TBK1 in Innate Antimicrobial Immunity.
Structure, 21, 2013
4JM4
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BU of 4jm4 by Molmil
Crystal Structure of PGT 135 Fab
分子名称: PGT 135 Heavy Chain, PGT 135 Light Chain
著者Kong, L, Wilson, I.A.
登録日2013-03-13
公開日2013-05-29
最終更新日2013-07-17
実験手法X-RAY DIFFRACTION (1.751 Å)
主引用文献Supersite of immune vulnerability on the glycosylated face of HIV-1 envelope glycoprotein gp120.
Nat.Struct.Mol.Biol., 20, 2013
4JPJ
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BU of 4jpj by Molmil
Crystal structure of the germline-targeting HIV-1 gp120 engineered outer domain, eOD-GT6
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, Germline-targeting HIV-1 gp120 engineered outer domain, eOD-GT6
著者Julien, J.-P, Jardine, J, Schief, W.R, Wilson, I.A.
登録日2013-03-19
公開日2013-04-10
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Rational HIV immunogen design to target specific germline B cell receptors.
Science, 340, 2013
4JKL
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BU of 4jkl by Molmil
Crystal Structure of Streptococcus agalactiae beta-glucuronidase in space group P21212
分子名称: Beta-glucuronidase, MAGNESIUM ION
著者Wallace, B.D, Redinbo, M.R.
登録日2013-03-09
公開日2014-09-17
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.288 Å)
主引用文献Structure and Inhibition of Microbiome beta-Glucuronidases Essential to the Alleviation of Cancer Drug Toxicity.
Chem.Biol., 22, 2015
4JIO
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BU of 4jio by Molmil
Bro1 V domain and ubiquitin
分子名称: BRO1, Ubiquitin
著者Pashkova, N, Gakhar, L, Piper, R.C.
登録日2013-03-06
公開日2013-06-19
最終更新日2013-07-10
実験手法X-RAY DIFFRACTION (3.6 Å)
主引用文献The yeast alix homolog bro1 functions as a ubiquitin receptor for protein sorting into multivesicular endosomes.
Dev.Cell, 25, 2013
4JJY
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BU of 4jjy by Molmil
Alix V domain
分子名称: Programmed cell death 6-interacting protein
著者Pashkova, N, Gakhar, L, Yu, L, Piper, R.C.
登録日2013-03-08
公開日2013-06-19
最終更新日2013-07-10
実験手法X-RAY DIFFRACTION (6.503 Å)
主引用文献The yeast alix homolog bro1 functions as a ubiquitin receptor for protein sorting into multivesicular endosomes.
Dev.Cell, 25, 2013
4JPI
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BU of 4jpi by Molmil
Crystal structure of a putative VRC01 germline precursor Fab
分子名称: GLYCEROL, Putative VRC01 germline Fab heavy chain, Putative VRC01 germline Fab light chain
著者Julien, J.-P, Diwanji, D.C, Jardine, J, Schief, W.R, Wilson, I.A.
登録日2013-03-19
公開日2013-04-10
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Rational HIV immunogen design to target specific germline B cell receptors.
Science, 340, 2013
4JPK
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BU of 4jpk by Molmil
Crystal structure of the germline-targeting HIV-1 gp120 engineered outer domain eOD-GT6 in complex with a putative VRC01 germline precursor Fab
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, Germline-targeting HIV-1 gp120 engineered outer domain, eOD-GT6, ...
著者Julien, J.-P, Jardine, J, Schief, W.R, Wilson, I.A.
登録日2013-03-19
公開日2013-04-10
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Rational HIV immunogen design to target specific germline B cell receptors.
Science, 340, 2013
4HYX
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BU of 4hyx by Molmil
Crystal Structure Analysis of the Bacteriorhodopsin in Facial Amphiphile-4 DMPC Bicelle
分子名称: Bacteriorhodopsin, DECANE, GLYCEROL, ...
著者Lee, S, Stout, C.D, Zhang, Q.
登録日2012-11-14
公開日2013-03-20
最終更新日2013-05-22
実験手法X-RAY DIFFRACTION (1.99 Å)
主引用文献Steroid-based facial amphiphiles for stabilization and crystallization of membrane proteins.
Proc.Natl.Acad.Sci.USA, 110, 2013
4HWL
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Crystal Structure Analysis of the Bacteriorhodopsin in Facial Amphiphile-7 DMPC Bicelle
分子名称: Bacteriorhodopsin, GLYCEROL, HEPTANE, ...
著者Lee, S, Stout, C.D, Zhang, Q.
登録日2012-11-08
公開日2013-03-20
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Steroid-based facial amphiphiles for stabilization and crystallization of membrane proteins.
Proc.Natl.Acad.Sci.USA, 110, 2013
4JY5
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Crystal structure of human Fab PGT122, a broadly reactive and potent HIV-1 neutralizing antibody
分子名称: GLYCEROL, PGT122 heavy chain, PGT122 light chain
著者Julien, J.-P, Diwanji, D.C, Burton, D.R, Wilson, I.A.
登録日2013-03-29
公開日2013-05-08
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.75 Å)
主引用文献Broadly neutralizing antibody PGT121 allosterically modulates CD4 binding via recognition of the HIV-1 gp120 V3 base and multiple surrounding glycans.
Plos Pathog., 9, 2013

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