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PDB: 123 results

2N1E
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MAX1 peptide fibril
Descriptor: MAX1 peptide
Authors:Nagy-Smith, K, Moore, E, Schneider, J, Tycko, R.
Deposit date:2015-03-30
Release date:2015-07-29
Last modified:2024-10-30
Method:SOLID-STATE NMR
Cite:Molecular structure of monomorphic peptide fibrils within a kinetically trapped hydrogel network.
Proc.Natl.Acad.Sci.USA, 112, 2015
4BS9
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Structure of the heterocyclase TruD
Descriptor: TRUD, ZINC ION
Authors:Koehnke, J, Bent, A.F, Zollman, D, Smith, K, Houssen, W.E, Zhu, X, Mann, G, Lebl, T, Scharff, R, Shirran, S, Botting, C.H, Jaspars, M, Schwarz-Linek, U, Naismith, J.H.
Deposit date:2013-06-09
Release date:2013-11-06
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:The Cyanobactin Heterocyclase Enzyme: A Processive Adenylase that Operates with a Defined Order of Reaction.
Angew.Chem.Int.Ed.Engl., 52, 2013
6BWA
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Hendra virus W protein C-terminus in complex with Importin alpha 3 crystal form 2
Descriptor: Importin subunit alpha-3, Protein W
Authors:Tsimbalyuk, S, Smith, K.M, Edwards, M.R, Aragao, D, Cross, E.M, Basler, C.F, Forwood, J.K.
Deposit date:2017-12-14
Release date:2018-07-04
Last modified:2024-05-22
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Structural basis for importin alpha 3 specificity of W proteins in Hendra and Nipah viruses.
Nat Commun, 9, 2018
6BW1
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Hendra virus W protein C-terminus in complex with Importin alpha 1
Descriptor: Importin subunit alpha-1, Protein W
Authors:Tsimbalyuk, S, Smith, K.M, Edwards, M.R, Aragao, D, Cross, E.M, Basler, C.F, Forwood, J.K.
Deposit date:2017-12-14
Release date:2018-07-04
Last modified:2024-05-22
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Structural basis for importin alpha 3 specificity of W proteins in Hendra and Nipah viruses.
Nat Commun, 9, 2018
7JJL
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Crystal structure of Importin Alpha 3 in complex with human LSD1 NLS
Descriptor: Importin subunit alpha-3, Lysine-specific histone demethylase 1A
Authors:Tu, W.J, McCuaig, R, Tan, H.Y.A, Hardy, K, Seddiki, N, Ali, S, Dahlstrom, J.E, Bean, E.G, Dunn, J, Forwood, J.K, Tsimbalyuk, S, Smith, K, Yip, D, Malik, L, Prasana, T, Milburn, P, Rao, S.
Deposit date:2020-07-27
Release date:2020-08-05
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Targeting Nuclear LSD1 to Reprogram Cancer Cells and Reinvigorate Exhausted T Cells via a Novel LSD1-EOMES Switch.
Front Immunol, 11, 2020
6BWB
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Hendra virus W protein C-terminus in complex with Importin alpha 3 crystal form 3
Descriptor: Importin subunit alpha-3, Protein W
Authors:Tsimbalyuk, S, Smith, K.M, Edwards, M.R, Aragao, D, Cross, E.M, Basler, C.F, Forwood, J.K.
Deposit date:2017-12-14
Release date:2018-07-04
Last modified:2024-05-22
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Structural basis for importin alpha 3 specificity of W proteins in Hendra and Nipah viruses.
Nat Commun, 9, 2018
6BW9
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Hendra virus W protein C-terminus in complex with Importin alpha 3 crystal form 1
Descriptor: Importin subunit alpha-3, Protein W
Authors:Tsimbalyuk, S, Smith, K.M, Edwards, M.R, Aragao, D, Cross, E.M, Basler, C.F, Forwood, J.K.
Deposit date:2017-12-14
Release date:2018-07-04
Last modified:2024-05-22
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Structural basis for importin alpha 3 specificity of W proteins in Hendra and Nipah viruses.
Nat Commun, 9, 2018
2XXH
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Crystal structure of 1-(4-(2-oxo-2-(1-pyrrolidinyl)ethyl)phenyl)-3-(trifluoromethyl)-4,5,6,7-tetrahydro-1H-indazole in complex with the ligand binding domain of the Rat GluA2 receptor and glutamate at 1.5A resolution.
Descriptor: 1-{4-[2-OXO-2-(1-PYRROLIDINYL)ETHYL]PHENYL}-3-( TRIFLUOROMETHYL)-4,5,6,7-TETRAHYDRO-1H-INDAZOLE, GLUTAMATE RECEPTOR 2, GLUTAMIC ACID, ...
Authors:Ward, S.E, Harries, M, Aldegheri, L, Austin, N.E, Ballantine, S, Ballini, E, Bradley, D.M, Bax, B.D, Clarke, B.P, Harris, A.J, Harrison, S.A, Melarange, R.A, Mookherjee, C, Mosley, J, DalNegro, G, Oliosi, B, Smith, K.J, Thewlis, K.M, Woollard, P.M, Yusaf, S.P.
Deposit date:2010-11-10
Release date:2011-04-06
Last modified:2011-09-28
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Integration of Lead Optimization with Crystallography for a Membrane-Bound Ion Channel Target: Discovery of a New Class of Ampa Receptor Positive Allosteric Modulators.
J.Med.Chem., 54, 2011
2XX7
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Crystal structure of 1-(4-(1-pyrrolidinylcarbonyl)phenyl)-3-(trifluoromethyl)-4,5,6,7-tetrahydro-1H-indazole in complex with the ligand binding domain of the Rat GluA2 receptor and glutamate at 2.2A resolution.
Descriptor: 1-[4-(1-PYRROLIDINYLCARBONYL)PHENYL]-3-(TRIFLUOROMETHYL)-4,5,6,7-TETRAHYDRO-1H-INDAZOLE, GLUTAMATE RECEPTOR 2, GLUTAMIC ACID, ...
Authors:Ward, S.E, Harries, M, Aldegheri, L, Austin, N.E, Ballantine, S, Ballini, E, Bradley, D.M, Bax, B.D, Clarke, B.P, Harris, A.J, Harrison, S.A, Melarange, R.A, Mookherjee, C, Mosley, J, DalNegro, G, Oliosi, B, Smith, K.J, Thewlis, K.M, Woollard, P.M, Yusaf, S.P.
Deposit date:2010-11-09
Release date:2011-04-06
Last modified:2024-10-23
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Integration of Lead Optimization with Crystallography for a Membrane-Bound Ion Channel Target: Discovery of a New Class of Ampa Receptor Positive Allosteric Modulators.
J.Med.Chem., 54, 2011
2XX8
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Crystal structure of N,N-dimethyl-4-(3-(trifluoromethyl)-4,5,6,7- tetrahydro-1H-indazol-1-yl)benzamide in complex with the ligand binding domain of the Rat GluA2 receptor and glutamate at 2.2A resolution.
Descriptor: GLUTAMATE RECEPTOR 2, GLUTAMIC ACID, N,N-DIMETHYL-4-[3-(TRIFLUOROMETHYL)-4,5,6,7-TETRAHYDRO-1H-INDAZOL-1-YL]BENZAMIDE, ...
Authors:Ward, S.E, Harries, M, Aldegheri, L, Austin, N.E, Ballantine, S, Ballini, E, Bradley, D.M, Bax, B.D, Clarke, B.P, Harris, A.J, Harrison, S.A, Melarange, R.A, Mookherjee, C, Mosley, J, DalNegro, G, Oliosi, B, Smith, K.J, Thewlis, K.M, Woollard, P.M, Yusaf, S.P.
Deposit date:2010-11-09
Release date:2011-04-27
Last modified:2011-09-28
Method:X-RAY DIFFRACTION (1.55 Å)
Cite:Integration of Lead Optimization with Crystallography for a Membrane-Bound Ion Channel Target: Discovery of a New Class of Ampa Receptor Positive Allosteric Modulators.
J.Med.Chem., 54, 2011
2XXI
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Crystal structure of 1-((4-(3-(trifluoromethyl)-6,7-dihydropyrano(4,3- c(pyrazol-1(4H)-yl)phenyl)methyl)-2-pyrrolidinone in complex with the ligand binding domain of the Rat GluA2 receptor and glutamate at 1.6A resolution.
Descriptor: 1-({4-[3-(TRIFLUOROMETHYL)-6,7-DIHYDROPYRANO[4,3-C]PYRAZOL-1(4H)-YL]PHENYL}METHYL)-2-PYRROLIDINONE, GLUTAMATE RECEPTOR 2, GLUTAMIC ACID, ...
Authors:Ward, S.E, Harries, M, Aldegheri, L, Austin, N.E, Ballantine, S, Ballini, E, Bradley, D.M, Bax, B.D, Clarke, B.P, Harris, A.J, Harrison, S.A, Melarange, R.A, Mookherjee, C, Mosley, J, DalNegro, G, Oliosi, B, Smith, K.J, Thewlis, K.M, Woollard, P.M, Yusaf, S.P.
Deposit date:2010-11-10
Release date:2011-04-06
Last modified:2024-10-16
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Integration of Lead Optimization with Crystallography for a Membrane-Bound Ion Channel Target: Discovery of a New Class of Ampa Receptor Positive Allosteric Modulators.
J.Med.Chem., 54, 2011
2XX9
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Crystal structure of 1-((2-fluoro-4-(3-(trifluoromethyl)-4,5,6,7- tetrahydro-1H-indazol-1-yl)phenyl)methyl)-2-pyrrolidinone in complex with the ligand binding domain of the Rat GluA2 receptor and glutamate at 2.2A resolution.
Descriptor: GLUTAMATE RECEPTOR 2, GLUTAMIC ACID, N,N-DIMETHYL-4-[3-(TRIFLUOROMETHYL)-4,5,6,7-TETRAHYDRO-1H-INDAZOL-1-YL]BENZAMIDE, ...
Authors:Ward, S.E, Harries, M, Aldegheri, L, Austin, N.E, Ballantine, S, Ballini, E, Bradley, D.M, Bax, B.D, Clarke, B.P, Harris, A.J, Harrison, S.A, Melarange, R.A, Mookherjee, C, Mosley, J, DalNegro, G, Oliosi, B, Smith, K.J, Thewlis, K.M, Woollard, P.M, Yusaf, S.P.
Deposit date:2010-11-09
Release date:2011-04-06
Last modified:2024-10-16
Method:X-RAY DIFFRACTION (1.97 Å)
Cite:Integration of Lead Optimization with Crystallography for a Membrane-Bound Ion Channel Target: Discovery of a New Class of Ampa Receptor Positive Allosteric Modulators.
J.Med.Chem., 54, 2011
4PTU
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Crystal Structure of anti-23F strep Fab C05 with rhamnose
Descriptor: ACETATE ION, Antibody pn132p2C05, heavy chain, ...
Authors:Bryson, S, Risnes, L, Damgupta, S, Thomson, C.A, Smith, K, Schrader, J.W, Pai, E.F.
Deposit date:2014-03-11
Release date:2015-03-04
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.511 Å)
Cite:Structures of Preferred Human IgV Genes-Based Protective Antibodies Identify How Conserved Residues Contact Diverse Antigens and Assign Source of Specificity to CDR3 Loop Variation.
J. Immunol., 196, 2016
4PTT
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Crystal Structure of anti-23F strep Fab C05
Descriptor: ACETATE ION, Antibody pn132p2C05, heavy chain, ...
Authors:Bryson, S, Risnes, L, Damgupta, S, Thomson, C.A, Smith, K, Schrader, J.W, Pai, E.F.
Deposit date:2014-03-11
Release date:2015-03-11
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Structures of Preferred Human IgV Genes-Based Protective Antibodies Identify How Conserved Residues Contact Diverse Antigens and Assign Source of Specificity to CDR3 Loop Variation.
J. Immunol., 196, 2016
7YXU
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Crystal structure of agonistic antibody 1618 fab domain bound to human 4-1BB.
Descriptor: MANGANESE (II) ION, Tumor necrosis factor receptor superfamily member 9, heavy chain of Fab, ...
Authors:Hakansson, M, Rose, N, Petersson, J, Enell Smith, K, Thorolfsson, M, von Schantz, L.
Deposit date:2022-02-16
Release date:2023-01-25
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (2.31 Å)
Cite:The Bispecific Tumor Antigen-Conditional 4-1BB x 5T4 Agonist, ALG.APV-527, Mediates Strong T-Cell Activation and Potent Antitumor Activity in Preclinical Studies.
Mol.Cancer Ther., 22, 2023
5W41
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Zika MR766 NLS in complex with Importin alpha subunit-1
Descriptor: Importin subunit alpha-1, ZIKA MR766 NLS
Authors:Jeffress, S, Smith, K.M, Forwood, J.K.
Deposit date:2017-06-08
Release date:2018-06-13
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Zika virus NS5 forms supramolecular nuclear bodies that sequester importin alpha and modulate the host immune and pro-inflammatory response in neuronal cells.
ACS Infect Dis, 2019
2XFI
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Human BACE-1 in complex with N-((1S,2R)-3-(((1S)-2-(cyclohexylamino)- 1-methyl-2-oxoethyl)amino)-2-hydroxy-1-(phenylmethyl)propyl)-3-((methylsulfonyl)(phenyl)amino)benzamide
Descriptor: BETA-SECRETASE 1, N-((1S,2R)-3-(((1S)-2-(CYCLOHEXYLAMINO)-1-METHYL-2-OXOETHYL)AMINO)-2-HYDROXY-1-( PHENYLMETHYL)PROPYL)-3-((METHYLSULFONYL)(PHENYL)AMINO) BENZAMIDE
Authors:Clarke, B, Cutler, L, Demont, E, Dingwall, C, Dunsdon, R, Hawkins, J, Howes, C, Hussain, I, Maile, G, Matico, R, Mosley, J, Naylor, A, O'Brien, A, Redshaw, S, Rowland, P, Soleil, V, Smith, K.J, Sweitzer, S, Theobald, P, Vesey, D, Walter, D.S, Wayne, G.
Deposit date:2010-05-24
Release date:2010-07-07
Last modified:2024-10-16
Method:X-RAY DIFFRACTION (1.73 Å)
Cite:Bace-1 Inhibitors Using Novel Edge-to-Face Interaction with Arg-296
Bioorg.Med.Chem.Lett., 20, 2010
2XFJ
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Human BACE-1 in complex with N-((1S,2R)-3-(((1S)-2-(cyclohexylamino)- 1-methyl-2-oxoethyl)amino)-2-hydroxy-1-(phenylmethyl)propyl)-3-(ethylamino)-5-(2-oxo-1-pyrrolidinyl)benzamide
Descriptor: BETA-SECRETASE 1, N-[(1S,2R)-1-benzyl-3-{[(1S)-2-(cyclohexylamino)-1-methyl-2-oxoethyl]amino}-2-hydroxypropyl]-3-(ethylamino)-5-(2-oxopyrrolidin-1-yl)benzamide
Authors:Clarke, B, Cutler, L, Demont, E, Dingwall, C, Dunsdon, R, Hawkins, J, Howes, C, Hussain, I, Maile, G, Matico, R, Mosley, J, Naylor, A, O'Brien, A, Redshaw, S, Rowland, P, Soleil, V, Smith, K.J, Sweitzer, S, Theobald, P, Vesey, D, Walter, D.S, Wayne, G.
Deposit date:2010-05-24
Release date:2010-07-07
Last modified:2024-10-16
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Bace-1 Inhibitors Using Novel Edge-to-Face Interaction with Arg-296
Bioorg.Med.Chem.Lett., 20, 2010
2XFK
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Human BACE-1 in complex with N-((1S,2R)-3-(((1S)-2-(cyclohexylamino)- 1-methyl-2-oxoethyl)amino)-2-hydroxy-1-(phenylmethyl)propyl)-3-(ethylamino)-5-((methylsulfonyl)(phenyl)amino)benzamide
Descriptor: BETA-SECRETASE 1, N-((1S,2R)-3-(((1S)-2-(CYCLOHEXYLAMINO)-1--METHYL-2-OXOETHYL)AMINO)-2-HYDROXY-1-(PHENYLMETHYL)PROPYL)-3-(ETHYLAMINO)-5-((METHYLSULFONYL)(PHENYL)AMINO)BENZAMIDE
Authors:Clarke, B, Cutler, L, Demont, E, Dingwall, C, Dunsdon, R, Hawkins, J, Howes, C, Hussain, I, Maile, G, Matico, R, Mosley, J, Naylor, A, O'Brien, A, Redshaw, S, Rowland, P, Soleil, V, Smith, K.J, Sweitzer, S, Theobald, P, Vesey, D, Walter, D.S, Wayne, G.
Deposit date:2010-05-24
Release date:2010-07-07
Last modified:2024-10-09
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Bace-1 Inhibitors Using Novel Edge-to-Face Interaction with Arg-296
Bioorg.Med.Chem.Lett., 20, 2010
1AGB
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ANTAGONIST HIV-1 GAG PEPTIDES INDUCE STRUCTURAL CHANGES IN HLA B8-HIV-1 GAG PEPTIDE (GGRKKYKL-3R MUTATION)
Descriptor: B*0801, BETA-2 MICROGLOBULIN, HIV-1 GAG PEPTIDE (GGRKKYKL - 3R MUTATION)
Authors:Reid, S.W, Mcadam, S, Smith, K.J, Klenerman, P, O'Callaghan, C.A, Harlos, K, Jakobsen, B.K, Mcmichael, A.J, Bell, J, Stuart, D.I, Jones, E.Y.
Deposit date:1997-03-24
Release date:1997-06-16
Last modified:2024-10-30
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Antagonist HIV-1 Gag peptides induce structural changes in HLA B8.
J.Exp.Med., 184, 1996
1AGD
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BU of 1agd by Molmil
ANTAGONIST HIV-1 GAG PEPTIDES INDUCE STRUCTURAL CHANGES IN HLA B8-HIV-1 GAG PEPTIDE (GGKKKYKL-INDEX PEPTIDE)
Descriptor: B*0801, BETA-2 MICROGLOBULIN, HIV-1 GAG PEPTIDE (GGKKKYKL - INDEX PEPTIDE)
Authors:Reid, S.W, Mcadam, S, Smith, K.J, Klenerman, P, O'Callaghan, C.A, Harlos, K, Jakobsen, B.K, Mcmichael, A.J, Bell, J, Stuart, D.I, Jones, E.Y.
Deposit date:1997-03-24
Release date:1997-06-16
Last modified:2024-10-30
Method:X-RAY DIFFRACTION (2.05 Å)
Cite:Antagonist HIV-1 Gag peptides induce structural changes in HLA B8.
J.Exp.Med., 184, 1996
1AGE
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ANTAGONIST HIV-1 GAG PEPTIDES INDUCE STRUCTURAL CHANGES IN HLA B8-HIV-1 GAG PEPTIDE (GGKKKYRL-7R MUTATION)
Descriptor: B*0801, BETA-2 MICROGLOBULIN, HIV-1 GAG PEPTIDE (GGKKKYRL - 7R MUTATION)
Authors:Reid, S.W, Mcadam, S, Smith, K.J, Klenerman, P, O'Callaghan, C.A, Harlos, K, Jakobsen, B.K, Mcmichael, A.J, Bell, J, Stuart, D.I, Jones, E.Y.
Deposit date:1997-03-24
Release date:1997-06-16
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Antagonist HIV-1 Gag peptides induce structural changes in HLA B8.
J.Exp.Med., 184, 1996
1AGC
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ANTAGONIST HIV-1 GAG PEPTIDES INDUCE STRUCTURAL CHANGES IN HLA B8-HIV-1 GAG PEPTIDE (GGKKKYQL-7Q MUTATION)
Descriptor: B*0801, BETA-2 MICROGLOBULIN, HIV-1 GAG PEPTIDE (GGKKKYQL - 7Q MUTATION)
Authors:Reid, S.W, Mcadam, S, Smith, K.J, Klenerman, P, O'Callaghan, C.A, Harlos, K, Jakobsen, B.K, Mcmichael, A.J, Bell, J, Stuart, D.I, Jones, E.Y.
Deposit date:1997-03-24
Release date:1997-06-16
Last modified:2024-10-23
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Antagonist HIV-1 Gag peptides induce structural changes in HLA B8.
J.Exp.Med., 184, 1996
1AGF
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ANTAGONIST HIV-1 GAG PEPTIDES INDUCE STRUCTURAL CHANGES IN HLA B8-HIV-1 GAG PEPTIDE (GGKKRYKL-5R MUTATION)
Descriptor: B*0801, BETA-2 MICROGLOBULIN, HIV-1 GAG PEPTIDE (GGKKRYKL - 5R MUTATION)
Authors:Reid, S.W, Mcadam, S, Smith, K.J, Klenerman, P, O'Callaghan, C.A, Harlos, K, Jakobsen, B.K, Mcmichael, A.J, Bell, J, Stuart, D.I, Jones, E.Y.
Deposit date:1997-03-24
Release date:1997-06-16
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Antagonist HIV-1 Gag peptides induce structural changes in HLA B8.
J.Exp.Med., 184, 1996
1B0R
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CRYSTAL STRUCTURE OF HLA-A*0201 COMPLEXED WITH A PEPTIDE WITH THE CARBOXYL-TERMINAL GROUP SUBSTITUTED BY A METHYL GROUP
Descriptor: PROTEIN (HLA-A*0201), PROTEIN (INFLUENZA MATRIX PEPTIDE)
Authors:Bouvier, M, Guo, H, Smith, K.J, Wiley, D.C.
Deposit date:1998-11-12
Release date:1999-11-25
Last modified:2024-10-30
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:Crystal structures of HLA-A*0201 complexed with antigenic peptides with either the amino- or carboxyl-terminal group substituted by a methyl group.
Proteins, 33, 1998

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