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1BII
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BU of 1bii by Molmil
THE CRYSTAL STRUCTURE OF H-2DD MHC CLASS I IN COMPLEX WITH THE HIV-1 DERIVED PEPTIDE P18-110
Descriptor: BETA-2 MICROGLOBULIN, DECAMERIC PEPTIDE, MHC CLASS I H-2DD
Authors:Achour, A, Persson, K, Harris, R.A, Sundback, J, Sentman, C.L, Lindqvist, Y, Schneider, G, Karre, K.
Deposit date:1998-06-11
Release date:1998-10-14
Last modified:2023-08-02
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:The crystal structure of H-2Dd MHC class I complexed with the HIV-1-derived peptide P18-I10 at 2.4 A resolution: implications for T cell and NK cell recognition.
Immunity, 9, 1998
4HFH
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The GLIC pentameric Ligand-Gated Ion Channel (wild-type) complexed to bromoform
Descriptor: ACETATE ION, CHLORIDE ION, DIUNDECYL PHOSPHATIDYL CHOLINE, ...
Authors:Sauguet, L, Howard, R.J, Malherbe, L, Lee, U.S, Corringer, P.J, Harris, R.A, Delarue, M.
Deposit date:2012-10-05
Release date:2013-04-17
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.65 Å)
Cite:Structural basis for potentiation by alcohols and anaesthetics in a ligand-gated ion channel.
Nat Commun, 4, 2013
4HFC
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The GLIC pentameric Ligand-Gated Ion Channel F14'A ethanol-sensitive mutant complexed to 2-bromo-ethanol
Descriptor: 2-BROMOETHANOL, ACETATE ION, CHLORIDE ION, ...
Authors:Sauguet, L, Howard, R.J, Malherbe, L, Lee, U.S, Corringer, P.J, Harris, R.A, Delarue, M.
Deposit date:2012-10-05
Release date:2013-04-17
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (3.05 Å)
Cite:Structural basis for potentiation by alcohols and anaesthetics in a ligand-gated ion channel.
Nat Commun, 4, 2013
4HFB
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The GLIC pentameric Ligand-Gated Ion Channel F14'A ethanol-sensitive mutant (Apo)
Descriptor: ACETATE ION, CHLORIDE ION, DIUNDECYL PHOSPHATIDYL CHOLINE, ...
Authors:Sauguet, L, Howard, R.J, Malherbe, L, Lee, U.S, Corringer, P.J, Harris, R.A, Delarue, M.
Deposit date:2012-10-05
Release date:2013-04-17
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.75 Å)
Cite:Structural basis for potentiation by alcohols and anaesthetics in a ligand-gated ion channel.
Nat Commun, 4, 2013
4HFE
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The GLIC pentameric Ligand-Gated Ion Channel F14'A ethanol-sensitive mutant complexed to ethanol
Descriptor: ACETATE ION, CHLORIDE ION, DIUNDECYL PHOSPHATIDYL CHOLINE, ...
Authors:Sauguet, L, Howard, R.J, Malherbe, L, Lee, U.S, Corringer, P.J, Harris, R.A, Delarue, M.
Deposit date:2012-10-05
Release date:2013-04-17
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Structural basis for potentiation by alcohols and anaesthetics in a ligand-gated ion channel.
Nat Commun, 4, 2013
4HFD
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BU of 4hfd by Molmil
The GLIC pentameric Ligand-Gated Ion Channel F14'A ethanol-sensitive mutant complexed to bromoform
Descriptor: ACETATE ION, CHLORIDE ION, DIUNDECYL PHOSPHATIDYL CHOLINE, ...
Authors:Sauguet, L, Howard, R.J, Malherbe, L, Lee, U.S, Corringer, P.J, Harris, R.A, Delarue, M.
Deposit date:2012-10-05
Release date:2013-04-17
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (3.1 Å)
Cite:Structural basis for potentiation by alcohols and anaesthetics in a ligand-gated ion channel.
Nat Commun, 4, 2013
2F74
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BU of 2f74 by Molmil
Murine MHC class I H-2Db in complex with human b2-microglobulin and LCMV-derived immunodminant peptide gp33
Descriptor: Beta-2-microglobulin, H-2 class I histocompatibility antigen, D-B alpha chain, ...
Authors:Achour, A, Michaelsson, J, Harris, R.A, Ljunggren, H.G, Karre, K, Schneider, G, Sandalova, T.
Deposit date:2005-11-30
Release date:2006-02-14
Last modified:2023-08-23
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Structural Basis of the Differential Stability and Receptor Specificity of H-2D(b) in Complex with Murine versus Human beta(2)-Microglobulin.
J.Mol.Biol., 356, 2006
1IG3
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BU of 1ig3 by Molmil
Mouse Thiamin Pyrophosphokinase Complexed with Thiamin
Descriptor: 3-(4-AMINO-2-METHYL-PYRIMIDIN-5-YLMETHYL)-5-(2-HYDROXY-ETHYL)-4-METHYL-THIAZOL-3-IUM, SULFATE ION, thiamin pyrophosphokinase
Authors:Timm, D.E, Liu, J, Baker, L.-J, Harris, R.A.
Deposit date:2001-04-16
Release date:2001-04-25
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Crystal structure of thiamin pyrophosphokinase.
J.Mol.Biol., 310, 2001
1JM6
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Pyruvate dehydrogenase kinase, isozyme 2, containing ADP
Descriptor: ADENOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, Pyruvate dehydrogenase kinase, ...
Authors:Steussy, C.N, Popov, K.M, Bowker-Kinley, M.M, Sloan, R.B, Harris, R.A, Hamilton, J.A.
Deposit date:2001-07-17
Release date:2001-10-24
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Structure of pyruvate dehydrogenase kinase. Novel folding pattern for a serine protein kinase.
J.Biol.Chem., 276, 2001
1IG0
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BU of 1ig0 by Molmil
Crystal Structure of yeast Thiamin Pyrophosphokinase
Descriptor: 3-(4-AMINO-2-METHYL-PYRIMIDIN-5-YLMETHYL)-5-(2-HYDROXY-ETHYL)-4-METHYL-THIAZOL-3-IUM, Thiamin pyrophosphokinase
Authors:Baker, L.-J, Dorocke, J.A, Harris, R.A, Timm, D.E.
Deposit date:2001-04-16
Release date:2001-06-20
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:The crystal structure of yeast thiamin pyrophosphokinase.
Structure, 9, 2001
1N59
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BU of 1n59 by Molmil
Crystal structure of the Murine class I Major Histocompatibility Complex of H-2KB, B2-Microglobulin, and A 9-Residue immunodominant peptide epitope gp33 derived from LCMV
Descriptor: Beta-2-microglobulin, H-2 class I histocompatibility antigen, K-B alpha chain, ...
Authors:Achour, A, Michaelsson, J, Harris, R.A, Odeberg, J, Grufman, P, Sandberg, J.K, Levitsky, V, Karre, K, Sandalova, T, Schneider, G.
Deposit date:2002-11-05
Release date:2003-01-07
Last modified:2021-10-27
Method:X-RAY DIFFRACTION (2.95 Å)
Cite:A Structural Basis for LCMV Immune Evasion. Subversion of H-2D(b) and H-2K(b) Presentation of gp33 Revealed by Comparative Crystal Structure Analyses.
Immunity, 17, 2002
1N5A
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BU of 1n5a by Molmil
Crystal structure of the Murine class I Major Histocompatibility Complex of H-2DB, B2-Microglobulin, and A 9-Residue immunodominant peptide epitope gp33 derived from LCMV
Descriptor: Beta-2-microglobulin, H-2 class I histocompatibility antigen, D-B alpha chain, ...
Authors:Achour, A, Michaelsson, J, Harris, R.A, Odeberg, J, Grufman, P, Sandberg, J.K, Levitsky, V, Karre, K, Sandalova, T, Schneider, G.
Deposit date:2002-11-05
Release date:2003-01-07
Last modified:2021-10-27
Method:X-RAY DIFFRACTION (2.85 Å)
Cite:A Structural Basis for LCMV Immune Evasion. Subversion of H-2D(b) and H-2K(b) Presentation of gp33 Revealed by Comparative Crystal Structure Analyses.
Immunity, 17, 2002
1ZHB
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BU of 1zhb by Molmil
Crystal Structure Of The Murine Class I Major Histocompatibility Complex Of H-2Db, B2-Microglobulin, and a 9-Residue Peptide Derived from rat dopamine beta-monooxigenase
Descriptor: 9-mer peptide from Dopamine beta-monooxygenase, Beta-2-microglobulin, H-2 class I histocompatibility antigen, ...
Authors:Sandalova, T, Michaelsson, J, Harris, R.A, Odeberg, J, Schneider, G, Karre, K, Achour, A.
Deposit date:2005-04-25
Release date:2005-06-14
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:A structural basis for CD8+ T cell-dependent recognition of non-homologous peptide ligands: implications for molecular mimicry in autoreactivity
J.Biol.Chem., 280, 2005
6T8W
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BU of 6t8w by Molmil
Complement factor B in complex with (-)-4-(1-((5,7-Dimethyl-1H-indol-4-yl)methyl)piperidin-2-yl)benzoic acid
Descriptor: 5,7-dimethyl-4-[[(2~{S})-2-phenylpiperidin-1-yl]methyl]-1~{H}-indole, Complement factor B, SULFATE ION, ...
Authors:Mainolfi, N, Ehara, T, Karki, R.G, Anderson, K, Sweeney, A.M, Wiesmann, C, Adams, C, Mainolfi, N, Liao, S.M, Argikar, U.A, Jendza, K, Zhang, C, Powers, J, Klosowski, D.W, Crowley, M, Kawanami, T, Ding, J, April, M, Forster, C, Wu, M.S, Capparelli, M, Ramqaj, R, Solovay, C, Cumin, F, Smith, T.M, Ferrara, L, Lee, W, Long, D, Prentiss, M, Erkenez, A.D, Yang, L, Fang, L, Sellner, H, Sirockin, F, Valeur, E, Erbel, P, Ramage, P, Gerhartz, B, Schubart, A, Flohr, S, Gradoux, N, Feifel, R, Vogg, B, Wiesmann, C, Maibaum, J, Eder, J, Sedrani, R, Harrison, R.A, Mogi, M, Jaffee, B.D, Adams, C.M.
Deposit date:2019-10-25
Release date:2020-03-04
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Discovery of 4-((2S,4S)-4-Ethoxy-1-((5-methoxy-7-methyl-1H-indol-4-yl)methyl)piperidin-2-yl)benzoic Acid (LNP023), a Factor B Inhibitor Specifically Designed To Be Applicable to Treating a Diverse Array of Complement Mediated Diseases.
J.Med.Chem., 63, 2020
6T8U
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BU of 6t8u by Molmil
Complement factor B in complex with 5-Bromo-3-chloro-N-(4,5-dihydro-1H-imidazol-2-yl)-7-methyl-1H-indol-4-amine
Descriptor: 5-bromanyl-3-chloranyl-~{N}-(1~{H}-imidazol-2-yl)-7-methyl-1~{H}-indol-4-amine, Complement factor B, SULFATE ION
Authors:Mainolfi, N, Ehara, T, Karki, R.G, Anderson, K, Mac Sweeney, A, Wiesmann, C, Adams, C, Liao, S.-M, Argikar, U.A, Jendza, K, Zhang, C, Powers, J, Klosowski, D.W, Crowley, M, Kawanami, T, Ding, J, April, M, Forster, C, Serrano-Wu, M, Capparelli, M, Ramqaj, R, Solovay, C, Cumin, F, Smith, T.M, Ferrara, L, Lee, W, Long, D, Prentiss, M, De Erkenez, A, Yang, L, Fang, L, Sellner, H, Sirockin, F, Valeur, E, Erbel, P, Ramage, P, Gerhartz, B, Schubart, A, Flohr, S, Gradoux, N, Feifel, R, Vogg, B, Maibaum, J, Eder, J, Sedrani, R, Harrison, R.A, Mogi, M, Jaffee, B.D, Adams, C.M.
Deposit date:2019-10-25
Release date:2020-03-04
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2.84 Å)
Cite:Discovery of 4-((2S,4S)-4-Ethoxy-1-((5-methoxy-7-methyl-1H-indol-4-yl)methyl)piperidin-2-yl)benzoic Acid (LNP023), a Factor B Inhibitor Specifically Designed To Be Applicable to Treating a Diverse Array of Complement Mediated Diseases.
J.Med.Chem., 63, 2020
6T8V
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BU of 6t8v by Molmil
Complement factor B in complex with (S)-5,7-Dimethyl-4-((2-phenylpiperidin-1-yl)methyl)-1H-indole
Descriptor: 4-[(2~{S})-1-[(5,7-dimethyl-1~{H}-indol-4-yl)methyl]piperidin-2-yl]benzoic acid, Complement factor B, SULFATE ION, ...
Authors:Mainolfi, N, Ehara, T, Karki, R.G, Anderson, K, Mac Sweeney, A, Wiesmann, C, Adams, C, Mainolfi, N, Liao, S.-M, Argikar, U.A, Jendza, K, Zhang, C, Powers, J, Klosowski, D.W, Crowley, M, Kawanami, T, Ding, J, April, M, Forster, C, Serrano-Wu, M, Capparelli, M, Ramqaj, R, Solovay, C, Cumin, F, Smith, T.M, Ferrara, L, Lee, W, Long, D, Prentiss, M, De Erkenez, A, Yang, L, Fang, L, Sellner, H, Sirockin, F, Valeur, E, Erbel, P, Ramage, P, Gerhartz, B, Schubart, A, Flohr, S, Gradoux, N, Feifel, R, Vogg, B, Wiesmann, C, Maibaum, J, Eder, J, Sedrani, R, Harrison, R.A, Mogi, M, Jaffee, B.D, Adams, C.M.
Deposit date:2019-10-25
Release date:2020-03-04
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2.29 Å)
Cite:Discovery of 4-((2S,4S)-4-Ethoxy-1-((5-methoxy-7-methyl-1H-indol-4-yl)methyl)piperidin-2-yl)benzoic Acid (LNP023), a Factor B Inhibitor Specifically Designed To Be Applicable to Treating a Diverse Array of Complement Mediated Diseases.
J.Med.Chem., 63, 2020
1CDQ
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BU of 1cdq by Molmil
STRUCTURE OF A SOLUBLE, GLYCOSYLATED FORM OF THE HUMAN COMPLEMENT REGULATORY PROTEIN CD59
Descriptor: CD59
Authors:Fletcher, C.M, Harrison, R.A, Lachmann, P.J, Neuhaus, D.
Deposit date:1994-06-01
Release date:1994-09-30
Last modified:2022-02-16
Method:SOLUTION NMR
Cite:Structure of a soluble, glycosylated form of the human complement regulatory protein CD59.
Structure, 2, 1994
1CDR
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STRUCTURE OF A SOLUBLE, GLYCOSYLATED FORM OF THE HUMAN COMPLEMENT REGULATORY PROTEIN CD59
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, CD59
Authors:Fletcher, C.M, Harrison, R.A, Lachmann, P.J, Neuhaus, D.
Deposit date:1994-06-01
Release date:1994-09-30
Last modified:2020-07-29
Method:SOLUTION NMR
Cite:Structure of a soluble, glycosylated form of the human complement regulatory protein CD59.
Structure, 2, 1994
1CDS
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BU of 1cds by Molmil
STRUCTURE OF A SOLUBLE, GLYCOSYLATED FORM OF THE HUMAN COMPLEMENT REGULATORY PROTEIN CD59
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CD59
Authors:Fletcher, C.M, Harrison, R.A, Lachmann, P.J, Neuhaus, D.
Deposit date:1994-06-01
Release date:1994-09-30
Last modified:2020-07-29
Method:SOLUTION NMR
Cite:Structure of a soluble, glycosylated form of the human complement regulatory protein CD59.
Structure, 2, 1994
8SXP
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BU of 8sxp by Molmil
Crystal structure of long neurotoxin from the venom of the king cobra (3FTx-L15) in complex with Fab of broadly neutralizing antibody 95Mat5
Descriptor: 95Mat5 Fab heavy chain, 95Mat5 Fab light chain, Long neurotoxin 2
Authors:Nguyen, T.K.Y.
Deposit date:2023-05-23
Release date:2024-03-20
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:Synthetic development of a broadly neutralizing antibody against snake venom long-chain neurotoxins
Sci Transl Med, 16, 2024
5V71
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BU of 5v71 by Molmil
KRAS G12C in bound to quinazoline based switch II pocket (SWIIP) binder
Descriptor: 1-{4-[6-chloro-7-(2-fluorophenyl)quinazolin-4-yl]piperazin-1-yl}propan-1-one, GTPase KRas, GUANOSINE-5'-DIPHOSPHATE, ...
Authors:Westover, K, Lu, J.
Deposit date:2017-03-17
Release date:2017-08-23
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.228 Å)
Cite:KRAS G12C Drug Development: Discrimination between Switch II Pocket Configurations Using Hydrogen/Deuterium-Exchange Mass Spectrometry.
Structure, 25, 2017

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