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4CIK
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BU of 4cik by Molmil
plasminogen kringle 1 in complex with inhibitor
Descriptor: 5-[(2R,4S)-2-(phenylmethyl)piperidin-4-yl]-1,2-oxazol-3-one, PLASMINOGEN
Authors:Xue, Y, Johansson, C, Cheng, L, Pettersen, D, Gustafsson, D.
Deposit date:2013-12-10
Release date:2014-06-18
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (1.78 Å)
Cite:Discovery of the Fibrinolysis Inhibitor Azd6564, Acting Via Interference of a Protein-Protein Interaction.
Acs Med.Chem.Lett., 5, 2014
3OZZ
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BU of 3ozz by Molmil
Structure of a cytochrome b5 core-swap mutant
Descriptor: Cytochrome b5, PROTOPORPHYRIN IX CONTAINING FE
Authors:Terzyan, S, Parthasarathy, S, Zhang, X.C, Benson, D.
Deposit date:2010-09-27
Release date:2011-09-14
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (1.7 Å)
Cite: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
Descriptor: Alkyl hydroperoxide reductase subunit C, CHLORIDE ION, POTASSIUM ION, ...
Authors:Perkins, A, Nelson, K, Parsonage, D, Poole, L, Karplus, P.A.
Deposit date:2017-01-20
Release date:2018-01-24
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Experimentally Dissecting the Origins of Peroxiredoxin Catalysis.
Antioxid.Redox Signal., 28, 2018
4IM8
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BU of 4im8 by Molmil
low resolution crystal structure of mouse RAGE
Descriptor: Advanced glycation end-products receptor
Authors:Xu, D, Young, J.H, Krahn, J.M, Song, D, Corbett, K.D, Chazin, W.J, Pedersen, L.C, Esko, J.D.
Deposit date:2013-01-02
Release date:2013-08-14
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (3.503 Å)
Cite:Stable RAGE-Heparan Sulfate Complexes Are Essential for Signal Transduction.
Acs Chem.Biol., 8, 2013
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
Descriptor: CALCIUM ION, LYS-LEU-ASN-LEU-GLN-PHE-PCS, Phage-related ribosomal protease
Authors:Wright, H.T, Peterson, D.
Deposit date:2020-10-29
Release date:2021-09-01
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (2.25 Å)
Cite: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
Descriptor: D30 peptide, Glucocorticoid receptor, N-{3-[(1Z)-1-(10-methoxydibenzo[b,e]oxepin-11(6H)-ylidene)propyl]phenyl}methanesulfonamide
Authors:Carson, M, Luz, J.G, Clawson, D, Coghlan, M.
Deposit date:2013-07-22
Release date:2014-01-29
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.35 Å)
Cite: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
4BZ1
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BU of 4bz1 by Molmil
Structure of dengue virus EDIII in complex with Fab 3e31
Descriptor: CHLORIDE ION, ENVELOPE PROTEIN, FAB 3E31 HEAVY CHAIN, ...
Authors:Li, J, Watterson, D, Chang, C.W, Li, X.Q, Ericsson, D.J, Qiu, L.W, Cai, J.P, Chen, J, Fry, S.R, Cooper, M.A, Che, X.Y, Young, P.R, Kobe, B.
Deposit date:2013-07-23
Release date:2014-08-13
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (2.15 Å)
Cite:Structure of Dengue Virus Ediii in Complex with Fab 3E31
To be Published
4BZ2
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BU of 4bz2 by Molmil
Structure of dengue virus EDIII in complex with Fab 2D73
Descriptor: CHLORIDE ION, DI(HYDROXYETHYL)ETHER, ENVELOPE PROTEIN, ...
Authors:Li, J, Watterson, D, Chang, C.W, Li, X.Q, Ericsson, D.J, Qiu, L.W, Cai, J.P, Chen, J, Fry, S.R, Cooper, M.A, Che, X.Y, Young, P.R, Kobe, B.
Deposit date:2013-07-23
Release date:2014-08-13
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (2.03 Å)
Cite:Structure of Dengue Virus Ediii in Complex with Fab 2D73
To be Published
2L6T
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BU of 2l6t by Molmil
Efficacy of an HIV-1 entry inhibitor targeting the GP41 fusion peptide
Descriptor: VIR-576
Authors: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.
Deposit date:2010-11-24
Release date:2011-01-19
Last modified:2024-05-01
Method:SOLUTION NMR
Cite:Short-term monotherapy in HIV-infected patients with a virus entry inhibitor against the gp41 fusion peptide.
Sci Transl Med, 2, 2010
2L6S
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BU of 2l6s by Molmil
Efficacy of an HIV-1 entry inhibitor targeting the GP41 fusion peptide
Descriptor: VIR-576
Authors: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.
Deposit date:2010-11-24
Release date:2011-01-19
Last modified:2024-05-01
Method:SOLUTION NMR
Cite:Short-term monotherapy in HIV-infected patients with a virus entry inhibitor against the gp41 fusion peptide.
Sci Transl Med, 2, 2010
4OQ5
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BU of 4oq5 by Molmil
Crystal Structure of Human MCL-1 Bound to Inhibitor 4-(4-methylnaphthalen-1-yl)-2-{[(4-phenoxyphenyl)sulfonyl]amino}benzoic acid
Descriptor: 4-(4-methylnaphthalen-1-yl)-2-{[(4-phenoxyphenyl)sulfonyl]amino}benzoic acid, Induced myeloid leukemia cell differentiation protein Mcl-1
Authors:Petros, A.M, Swann, S.L, Song, D, Swinger, K, Park, C, Zhang, H, Wendt, M.D, Kunzer, A.R, Souers, A.J, Sun, C.
Deposit date:2014-02-07
Release date:2014-03-12
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.86 Å)
Cite:Fragment-based discovery of potent inhibitors of the anti-apoptotic MCL-1 protein.
Bioorg.Med.Chem.Lett., 24, 2014
1OL1
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BU of 1ol1 by Molmil
Cyclin A binding groove inhibitor H-Cit-Cit-Leu-Ile-(p-F-Phe)-NH2
Descriptor: CELL DIVISION PROTEIN KINASE 2, CIR-CIR-LEU-ILE-PFF-NH2, CYCLIN A2
Authors: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.
Deposit date:2003-08-04
Release date:2003-12-11
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (2.9 Å)
Cite: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
Descriptor: ACE-ARG-ARG-LEU-ASN-FCL-NH2, CELL DIVISION PROTEIN KINASE 2, CYCLIN A2
Authors: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.
Deposit date:2003-07-31
Release date:2003-12-11
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Insights Into Cyclin Groove Recognition. Complex Crystal Structures and Inhibitor Design Through Ligand Exchange
Structure, 11, 2003
3KPQ
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BU of 3kpq by Molmil
Crystal Structure of HLA B*4405 in complex with EEYLKAWTF, a mimotope
Descriptor: Beta-2-microglobulin, EEYLKAWTF, mimotope peptide, ...
Authors: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.
Deposit date:2009-11-16
Release date:2009-12-22
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (1.84 Å)
Cite:T cell allorecognition via molecular mimicry.
Immunity, 31, 2009
1OKV
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BU of 1okv by Molmil
Cyclin A binding groove inhibitor H-Arg-Arg-Leu-Ile-Phe-NH2
Descriptor: CELL DIVISION PROTEIN KINASE 2, CYCLIN A2, H-ARG-ARG-LEU-ILE-PHE-NH2
Authors: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.
Deposit date:2003-07-30
Release date:2003-12-11
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Insights Into Cyclin Groove Recognition. Complex Crystal Structures and Inhibitor Design Through Ligand Exchange
Structure, 11, 2003
4OQ6
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BU of 4oq6 by Molmil
Crystal Structure of Human MCL-1 Bound to Inhibitor 4-hydroxy-4'-propylbiphenyl-3-carboxylic acid
Descriptor: 4-hydroxy-4'-propylbiphenyl-3-carboxylic acid, Induced myeloid leukemia cell differentiation protein Mcl-1
Authors:Petros, A.M, Swann, S.L, Song, D, Swinger, K, Park, C, Zhang, H, Wendt, M.D, Kunzer, A.R, Souers, A.J, Sun, C.
Deposit date:2014-02-07
Release date:2014-03-12
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.81 Å)
Cite:Fragment-based discovery of potent inhibitors of the anti-apoptotic MCL-1 protein.
Bioorg.Med.Chem.Lett., 24, 2014
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
Descriptor: Beta-2-microglobulin, EEYLQAFTY, self peptide from the ATP binding cassette protein ABCD3, ...
Authors: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.
Deposit date:2009-11-16
Release date:2009-12-22
Last modified:2024-10-16
Method:X-RAY DIFFRACTION (2 Å)
Cite: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
Descriptor: Beta-2-microglobulin, EEYLKAWTF, mimotope peptide, ...
Authors: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.
Deposit date:2009-11-16
Release date:2009-12-22
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.6 Å)
Cite: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
Descriptor: CD44 ANTIGEN
Authors: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.
Deposit date:2003-12-19
Release date:2004-03-04
Last modified:2019-05-29
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Structure of the Regulatory Hyaluronan-Binding Domain in the Inflammatory Leukocyte Homing Receptor Cd44
Mol.Cell, 13, 2004
3L4Q
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BU of 3l4q by Molmil
Structural insights into phosphoinositide 3-kinase activation by the influenza A virus NS1 protein
Descriptor: GLYCEROL, Non-structural protein 1, Phosphatidylinositol 3-kinase regulatory subunit beta
Authors:Hale, B.G, Kerry, P.S, Jackson, D, Precious, B.L, Gray, A, Killip, M.J, Randall, R.E, Russell, R.J.
Deposit date:2009-12-21
Release date:2010-02-02
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (2.3 Å)
Cite: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
Descriptor: Beta-2-microglobulin, EEYLQAFTY, self peptide from the ATP binding cassette protein ABCD3, ...
Authors: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.
Deposit date:2009-11-16
Release date:2009-12-22
Last modified:2024-10-09
Method:X-RAY DIFFRACTION (1.96 Å)
Cite:T cell allorecognition via molecular mimicry.
Immunity, 31, 2009
3KPS
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BU of 3kps by Molmil
Crystal Structure of the LC13 TCR in complex with HLA B*4405 bound to EEYLQAFTY a self peptide from the ABCD3 protein
Descriptor: Beta-2-microglobulin, EEYLQAFTY, self peptide from the ATP binding cassette protein ABCD3, ...
Authors: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.
Deposit date:2009-11-16
Release date:2009-12-22
Last modified:2024-10-09
Method:X-RAY DIFFRACTION (2.7 Å)
Cite: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
Descriptor: Beta-2-microglobulin, EEYLKAWTF, mimotope peptide, ...
Authors: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.
Deposit date:2009-11-16
Release date:2009-12-22
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.3 Å)
Cite: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
Descriptor: Beta-2-microglobulin, DI(HYDROXYETHYL)ETHER, EEYLQAFTY, ...
Authors: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.
Deposit date:2009-11-16
Release date:2009-12-22
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:T cell allorecognition via molecular mimicry.
Immunity, 31, 2009
3KPM
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BU of 3kpm by Molmil
Crystal Structure of HLA B*4402 in complex with EEYLKAWTF, a mimotope
Descriptor: Beta-2-microglobulin, EEYLKAWTF, mimotope peptide, ...
Authors: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.
Deposit date:2009-11-16
Release date:2009-12-22
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:T cell allorecognition via molecular mimicry.
Immunity, 31, 2009

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