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4BV7
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BU of 4bv7 by Molmil
Identification of small molecule inhibitors selective for apo(a) kringles KIV-7, KIV-10 and KV.
分子名称: 3-(4-piperidyl)propanoic acid, ACETATE ION, APOLIPOPROTEIN(A)
著者Sandmark, J, Althage, M, Andersson, G.M.K, Antonsson, T, Blaho, S, Bodin, C, Bostrom, J, Chen, Y, Dahlen, A, Eriksson, P.O, Evertsson, E, Fex, T, Fjellstrom, O, Gustafsson, D, Hallberg, C, Hicks, R, Jarkvist, E, Johansson, C, Kalies, I, Kang, D, Svalstedt Karlsson, B, Kartberg, F, Legnehed, A, Lindqvist, A.M, Martinsson, S.A, Moberg, A, Petersson, A.U, Ridderstrom, M, Thelin, A, Tigerstrom, A, Vinblad, J, Xu, B, Knecht, W.
登録日2013-06-25
公開日2014-07-09
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Small Molecules Used to Decipher the Pathophysiological Roles of the Kringle Domains Kiv-7, - 10 and Kv of Apolipoprotein(A)
To be Published
3OZZ
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BU of 3ozz by Molmil
Structure of a cytochrome b5 core-swap mutant
分子名称: Cytochrome b5, PROTOPORPHYRIN IX CONTAINING FE
著者Terzyan, S, Parthasarathy, S, Zhang, X.C, Benson, D.
登録日2010-09-27
公開日2011-09-14
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Structure of a cytochrome b5 core-swap mutant
To be Published
5UKA
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BU of 5uka by Molmil
Salmonella typhimurium AhpC E49Q mutant
分子名称: Alkyl hydroperoxide reductase subunit C, CHLORIDE ION, POTASSIUM ION, ...
著者Perkins, A, Nelson, K, Parsonage, D, Poole, L, Karplus, P.A.
登録日2017-01-20
公開日2018-01-24
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Experimentally Dissecting the Origins of Peroxiredoxin Catalysis.
Antioxid.Redox Signal., 28, 2018
1OL1
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BU of 1ol1 by Molmil
Cyclin A binding groove inhibitor H-Cit-Cit-Leu-Ile-(p-F-Phe)-NH2
分子名称: CELL DIVISION PROTEIN KINASE 2, CIR-CIR-LEU-ILE-PFF-NH2, CYCLIN A2
著者Kontopidis, G, Andrews, M, McInnes, C, Cowan, A, Powers, H, Innes, L, Plater, A, Griffiths, G, Paterson, D, Zheleva, D, Lane, D, Green, S, Walkinshaw, M, Fischer, P.
登録日2003-08-04
公開日2003-12-11
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (2.9 Å)
主引用文献Insights Into Cyclin Groove Recognition. Complex Crystal Structures and Inhibitor Design Through Ligand Exchange
Structure, 11, 2003
1OL2
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BU of 1ol2 by Molmil
Cyclin A binding groove inhibitor H-Arg-Arg-Leu-Asn-(p-F-Phe)-NH2
分子名称: ARG-ARG-LEU-ASN-PFF-NH2, CELL DIVISION PROTEIN KINASE 2, CYCLIN A2
著者Kontopidis, G, Andrews, M, McInnes, C, Cowan, A, Powers, H, Innes, L, Plater, A, Griffiths, G, Paterson, D, Zheleva, D, Lane, D, Green, S, Walkinshaw, M, Fischer, P.
登録日2003-08-05
公開日2003-12-11
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Insights Into Cyclin Groove Recognition. Complex Crystal Structures and Inhibitor Design Through Ligand Exchange
Structure, 11, 2003
1OKW
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BU of 1okw by Molmil
Cyclin A binding groove inhibitor Ac-Arg-Arg-Leu-Asn-(m-Cl-Phe)-NH2
分子名称: ACE-ARG-ARG-LEU-ASN-FCL-NH2, CELL DIVISION PROTEIN KINASE 2, CYCLIN A2
著者Kontopidis, G, Andrews, M, McInnes, C, Cowan, A, Powers, H, Innes, L, Plater, A, Griffiths, G, Paterson, D, Zheleva, D, Lane, D, Green, S, Walkinshaw, M, Fischer, P.
登録日2003-07-31
公開日2003-12-11
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Insights Into Cyclin Groove Recognition. Complex Crystal Structures and Inhibitor Design Through Ligand Exchange
Structure, 11, 2003
1OKV
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BU of 1okv by Molmil
Cyclin A binding groove inhibitor H-Arg-Arg-Leu-Ile-Phe-NH2
分子名称: CELL DIVISION PROTEIN KINASE 2, CYCLIN A2, H-ARG-ARG-LEU-ILE-PHE-NH2
著者Kontopidis, G, Andrews, M, McInnes, C, Cowan, A, Powers, H, Innes, L, Plater, A, Griffiths, G, Paterson, D, Zheleva, D, Lane, D, Green, S, Walkinshaw, M, Fischer, P.
登録日2003-07-30
公開日2003-12-11
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Insights Into Cyclin Groove Recognition. Complex Crystal Structures and Inhibitor Design Through Ligand Exchange
Structure, 11, 2003
4IM8
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BU of 4im8 by Molmil
low resolution crystal structure of mouse RAGE
分子名称: Advanced glycation end-products receptor
著者Xu, D, Young, J.H, Krahn, J.M, Song, D, Corbett, K.D, Chazin, W.J, Pedersen, L.C, Esko, J.D.
登録日2013-01-02
公開日2013-08-14
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (3.503 Å)
主引用文献Stable RAGE-Heparan Sulfate Complexes Are Essential for Signal Transduction.
Acs Chem.Biol., 8, 2013
4CIK
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BU of 4cik by Molmil
plasminogen kringle 1 in complex with inhibitor
分子名称: 5-[(2R,4S)-2-(phenylmethyl)piperidin-4-yl]-1,2-oxazol-3-one, PLASMINOGEN
著者Xue, Y, Johansson, C, Cheng, L, Pettersen, D, Gustafsson, D.
登録日2013-12-10
公開日2014-06-18
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (1.78 Å)
主引用文献Discovery of the Fibrinolysis Inhibitor Azd6564, Acting Via Interference of a Protein-Protein Interaction.
Acs Med.Chem.Lett., 5, 2014
7KLD
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BU of 7kld by Molmil
Crystal Structure of an Essential Ribosomal Processing Protease Prp from S. aureus in complex with a covalently linked product Peptide
分子名称: CALCIUM ION, LYS-LEU-ASN-LEU-GLN-PHE-PCS, Phage-related ribosomal protease
著者Wright, H.T, Peterson, D.
登録日2020-10-29
公開日2021-09-01
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (2.25 Å)
主引用文献Phage-Related Ribosomal Protease (Prp) of Staphylococcus aureus : In Vitro Michaelis-Menten Kinetics, Screening for Inhibitors, and Crystal Structure of a Covalent Inhibition Product Complex.
Biochemistry, 61, 2022
4LSJ
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BU of 4lsj by Molmil
Crystal Structure of the Glucocorticoid Receptor Ligand Binding Domain Bound to a Dibenzoxapine Sulfonamide
分子名称: D30 peptide, Glucocorticoid receptor, N-{3-[(1Z)-1-(10-methoxydibenzo[b,e]oxepin-11(6H)-ylidene)propyl]phenyl}methanesulfonamide
著者Carson, M, Luz, J.G, Clawson, D, Coghlan, M.
登録日2013-07-22
公開日2014-01-29
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.35 Å)
主引用文献Glucocorticoid receptor modulators informed by crystallography lead to a new rationale for receptor selectivity, function, and implications for structure-based design.
J.Med.Chem., 57, 2014
7JVS
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BU of 7jvs by Molmil
Crystal Structure of an Essential Ribosomal Processing Protease Prp from S. aureus in complex with a Substrate Peptide
分子名称: CALCIUM ION, L27 ribosomal peptide, NICKEL (II) ION, ...
著者Wright, H.T, Peterson, D.
登録日2020-08-22
公開日2021-09-01
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Crystal Structure of an Essential Ribosomal Processing Protease Prp from S. aureus in complex with a Substrate Peptide
To be published
2L6S
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BU of 2l6s by Molmil
Efficacy of an HIV-1 entry inhibitor targeting the GP41 fusion peptide
分子名称: VIR-576
著者Forssmann, W, The, Y, Stoll, M, Adermann, K, Albrecht, U, Barlos, K, Busmann, A, Canales-Mayordomo, A, Gimenez-Gallego, G, Hirsch, J, Jimenez-Barbero, J, Meyer-Olson, D, Muench, J, Perez-Castells, J, Standker, L, Kirchhoff, F, Schmidt, R.E.
登録日2010-11-24
公開日2011-01-19
最終更新日2024-05-01
実験手法SOLUTION NMR
主引用文献Short-term monotherapy in HIV-infected patients with a virus entry inhibitor against the gp41 fusion peptide.
Sci Transl Med, 2, 2010
4I5I
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BU of 4i5i by Molmil
Crystal structure of the SIRT1 catalytic domain bound to NAD and an EX527 analog
分子名称: (6S)-2-chloro-5,6,7,8,9,10-hexahydrocyclohepta[b]indole-6-carboxamide, NAD-dependent protein deacetylase sirtuin-1, NICOTINAMIDE-ADENINE-DINUCLEOTIDE, ...
著者Zhao, X, Allison, D, Condon, B, Zhang, F, Gheyi, T, Zhang, A, Ashok, S, Russell, M, Macewan, I, Qian, Y, Jamison, J.A, Luz, J.G.
登録日2012-11-28
公開日2013-01-23
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献The 2.5 angstrom crystal structure of the SIRT1 catalytic domain bound to nicotinamide adenine dinucleotide (NAD+) and an indole (EX527 analogue) reveals a novel mechanism of histone deacetylase inhibition.
J.Med.Chem., 56, 2013
2L6T
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BU of 2l6t by Molmil
Efficacy of an HIV-1 entry inhibitor targeting the GP41 fusion peptide
分子名称: VIR-576
著者Forssmann, W, The, Y, Stoll, M, Adermann, K, Albrecht, U, Barlos, K, Busmann, A, Can les-Mayordomo, A, Gimenez-Gallego, G, Hirsch, J, Jimenez-Barbero, J, Meyer-Olson, D, Muench, J, Perez-Castells, J, Staendker, L, Kirchhoff, F, Schmidt, R.E.
登録日2010-11-24
公開日2011-01-19
最終更新日2024-05-01
実験手法SOLUTION NMR
主引用文献Short-term monotherapy in HIV-infected patients with a virus entry inhibitor against the gp41 fusion peptide.
Sci Transl Med, 2, 2010
3KPM
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BU of 3kpm by Molmil
Crystal Structure of HLA B*4402 in complex with EEYLKAWTF, a mimotope
分子名称: Beta-2-microglobulin, EEYLKAWTF, mimotope peptide, ...
著者Macdonald, W.A, Chen, Z, Gras, S, Archbold, J.K, Tynan, F.E, Clements, C.S, Bharadwaj, M, Kjer-Nielsen, L, Saunders, P.M, Wilce, M.C, Crawford, F, Stadinsky, B, Jackson, D, Brooks, A.G, Purcell, A.W, Kappler, J.W, Burrows, S.R, Rossjohn, J, McCluskey, J.
登録日2009-11-16
公開日2009-12-22
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献T cell allorecognition via molecular mimicry.
Immunity, 31, 2009
1UUH
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BU of 1uuh by Molmil
Hyaluronan binding domain of human CD44
分子名称: CD44 ANTIGEN
著者Teriete, P, Banerji, S, Noble, M, Blundell, C, Wright, A, Pickford, A, Lowe, E, Mahoney, D, Tammi, M, Kahmann, J, Campbell, I, Day, A, Jackson, D.
登録日2003-12-19
公開日2004-03-04
最終更新日2019-05-29
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Structure of the Regulatory Hyaluronan-Binding Domain in the Inflammatory Leukocyte Homing Receptor Cd44
Mol.Cell, 13, 2004
1GU0
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BU of 1gu0 by Molmil
CRYSTAL STRUCTURE OF TYPE II DEHYDROQUINASE FROM STREPTOMYCES COELICOLOR
分子名称: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 3-DEHYDROQUINATE DEHYDRATASE
著者Roszak, A.W, Krell, T, Robinson, D, Hunter, I.S, Coggins, J.R, Lapthorn, A.J.
登録日2002-01-22
公開日2002-04-12
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献The Structure and Mechanism of the Type II Dehydroquinase from Streptomyces Coelicolor
Structure, 10, 2002
3KPN
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BU of 3kpn by Molmil
Crystal Structure of HLA B*4403 in complex with EEYLQAFTY a self peptide from the ABCD3 protein
分子名称: Beta-2-microglobulin, EEYLQAFTY, self peptide from the ATP binding cassette protein ABCD3, ...
著者Macdonald, W.A, Chen, Z, Gras, S, Archbold, J.K, Tynan, F.E, Clements, C.S, Bharadwaj, M, Kjer-Nielsen, L, Saunders, P.M, Wilce, M.C, Crawford, F, Stadinsky, B, Jackson, D, Brooks, A.G, Purcell, A.W, Kappler, J.W, Burrows, S.R, Rossjohn, J, McCluskey, J.
登録日2009-11-16
公開日2009-12-22
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献T cell allorecognition via molecular mimicry.
Immunity, 31, 2009
3KPR
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BU of 3kpr by Molmil
Crystal Structure of the LC13 TCR in complex with HLA B*4405 bound to EEYLKAWTF a mimotope
分子名称: Beta-2-microglobulin, EEYLKAWTF, mimotope peptide, ...
著者Macdonald, W.A, Chen, Z, Gras, S, Archbold, J.K, Tynan, F.E, Clements, C.S, Bharadwaj, M, Kjer-Nielsen, L, Saunders, P.M, Wilce, M.C, Crawford, F, Stadinsky, B, Jackson, D, Brooks, A.G, Purcell, A.W, Kappler, J.W, Burrows, S.R, Rossjohn, J, McCluskey, J.
登録日2009-11-16
公開日2009-12-22
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献T cell allorecognition via molecular mimicry.
Immunity, 31, 2009
3KPO
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BU of 3kpo by Molmil
Crystal Structure of HLA B*4403 in complex with EEYLKAWTF, a mimotope
分子名称: Beta-2-microglobulin, EEYLKAWTF, mimotope peptide, ...
著者Macdonald, W.A, Chen, Z, Gras, S, Archbold, J.K, Tynan, F.E, Clements, C.S, Bharadwaj, M, Kjer-Nielsen, L, Saunders, P.M, Wilce, M.C, Crawford, F, Stadinsky, B, Jackson, D, Brooks, A.G, Purcell, A.W, Kappler, J.W, Burrows, S.R, Rossjohn, J, McCluskey, J.
登録日2009-11-16
公開日2009-12-22
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献T cell allorecognition via molecular mimicry.
Immunity, 31, 2009
3KPP
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BU of 3kpp by Molmil
Crystal Structure of HLA B*4405 in complex with EEYLQAFTY a self peptide from the ABCD3 protein
分子名称: Beta-2-microglobulin, DI(HYDROXYETHYL)ETHER, EEYLQAFTY, ...
著者Macdonald, W.A, Chen, Z, Gras, S, Archbold, J.K, Tynan, F.E, Clements, C.S, Bharadwaj, M, Kjer-Nielsen, L, Saunders, P.M, Wilce, M.C, Crawford, F, Stadinsky, B, Jackson, D, Brooks, A.G, Purcell, A.W, Kappler, J.W, Burrows, S.R, Rossjohn, J, McCluskey, J.
登録日2009-11-16
公開日2009-12-22
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献T cell allorecognition via molecular mimicry.
Immunity, 31, 2009
3KPQ
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BU of 3kpq by Molmil
Crystal Structure of HLA B*4405 in complex with EEYLKAWTF, a mimotope
分子名称: Beta-2-microglobulin, EEYLKAWTF, mimotope peptide, ...
著者Macdonald, W.A, Chen, Z, Gras, S, Archbold, J.K, Tynan, F.E, Clements, C.S, Bharadwaj, M, Kjer-Nielsen, L, Saunders, P.M, Wilce, M.C, Crawford, F, Stadinsky, B, Jackson, D, Brooks, A.G, Purcell, A.W, Kappler, J.W, Burrows, S.R, Rossjohn, J, McCluskey, J.
登録日2009-11-16
公開日2009-12-22
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (1.84 Å)
主引用文献T cell allorecognition via molecular mimicry.
Immunity, 31, 2009
3L4Q
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BU of 3l4q by Molmil
Structural insights into phosphoinositide 3-kinase activation by the influenza A virus NS1 protein
分子名称: GLYCEROL, Non-structural protein 1, Phosphatidylinositol 3-kinase regulatory subunit beta
著者Hale, B.G, Kerry, P.S, Jackson, D, Precious, B.L, Gray, A, Killip, M.J, Randall, R.E, Russell, R.J.
登録日2009-12-21
公開日2010-02-02
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Structural insights into phosphoinositide 3-kinase activation by the influenza A virus NS1 protein
Proc.Natl.Acad.Sci.USA, 107, 2010
3KPL
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BU of 3kpl by Molmil
Crystal Structure of HLA B*4402 in complex with EEYLQAFTY a self peptide from the ABCD3 protein
分子名称: Beta-2-microglobulin, EEYLQAFTY, self peptide from the ATP binding cassette protein ABCD3, ...
著者Macdonald, W.A, Chen, Z, Gras, S, Archbold, J.K, Tynan, F.E, Clements, C.S, Bharadwaj, M, Kjer-Nielsen, L, Saunders, P.M, Wilce, M.C, Crawford, F, Stadinsky, B, Jackson, D, Brooks, A.G, Purcell, A.W, Kappler, J.W, Burrows, S.R, Rossjohn, J, McCluskey, J.
登録日2009-11-16
公開日2009-12-22
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (1.96 Å)
主引用文献T cell allorecognition via molecular mimicry.
Immunity, 31, 2009

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