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9FWL
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BU of 9fwl by Molmil
Ensemble model of ligand-free SARS-CoV-2 NSP10-NSP14 (ExoN) and in complex with partially bound VT00025
Descriptor: 3-phenylthiophene-2-carboxamide, DIMETHYL SULFOXIDE, Guanine-N7 methyltransferase nsp14, ...
Authors:Krojer, T, Kozielski, F, Sele, C, Nyblom, M, Fisher, S.Z, Knecht, W.
Deposit date:2024-06-30
Release date:2025-07-09
Method:X-RAY DIFFRACTION (2.09 Å)
Cite:Ensemble model of ligand-free SARS-CoV-2 NSP10-NSP14 (ExoN) and in complex with partially bound VT00025
To Be Published
7C9B
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BU of 7c9b by Molmil
Crystal structure of dipeptidase-E from Xenopus laevis
Descriptor: Alpha-aspartyl dipeptidase, CALCIUM ION, SODIUM ION
Authors:Kumar, A, Singh, R, Makde, R.D.
Deposit date:2020-06-05
Release date:2021-06-09
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.4 Å)
Cite:Crystal structure of aspartyl dipeptidase from Xenopus laevis revealed ligand binding induced loop ordering and catalytic triad assembly.
Proteins, 90, 2022
4XBG
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BU of 4xbg by Molmil
Crystal structure of human 4E10 Fab in complex with phosphatidic acid (06:0 PA): 2.73 A resolution
Descriptor: (2R)-3-(phosphonooxy)propane-1,2-diyl dihexanoate, 4E10 Fab heavy chain, 4E10 Fab light chain, ...
Authors:Irimia, A, Stanfield, R.L, Wilson, I.A.
Deposit date:2014-12-16
Release date:2016-02-03
Last modified:2024-10-23
Method:X-RAY DIFFRACTION (2.73 Å)
Cite:Crystallographic Identification of Lipid as an Integral Component of the Epitope of HIV Broadly Neutralizing Antibody 4E10.
Immunity, 44, 2016
7YRV
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BU of 7yrv by Molmil
Solution structures of a disulfide-directed multicyclic peptide with affinity for FGFR1
Descriptor: LF1
Authors:Fan, S.H, Wu, C.L.
Deposit date:2022-08-10
Release date:2023-08-16
Last modified:2024-11-20
Method:SOLUTION NMR
Cite:Disulfide-Directed Multicyclic Peptide Libraries for the Discovery of Peptide Ligands and Drugs.
J.Am.Chem.Soc., 145, 2023
7YRW
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BU of 7yrw by Molmil
Solution structures of a disulfide-directed multicyclic peptide with affinity for HER2
Descriptor: LH2
Authors:Fan, S.H, Wu, C.L.
Deposit date:2022-08-10
Release date:2023-08-16
Last modified:2024-11-20
Method:SOLUTION NMR
Cite:Disulfide-Directed Multicyclic Peptide Libraries for the Discovery of Peptide Ligands and Drugs.
J.Am.Chem.Soc., 145, 2023
4XAW
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BU of 4xaw by Molmil
Crystal structure of human 4E10 Fab in complex with its peptide epitope on HIV-1 gp41: Crystals cryoprotected with phosphatidic acid (08:0 PA)
Descriptor: 4E10 Fab heavy chain, 4E10 Fab light chain, FRAGMENT OF HIV GLYCOPROTEIN (GP41) including the MPER region 671-683, ...
Authors:Irimia, A, Stanfield, R.L, Wilson, I.A.
Deposit date:2014-12-15
Release date:2016-02-03
Last modified:2024-11-13
Method:X-RAY DIFFRACTION (1.47 Å)
Cite:Crystallographic Identification of Lipid as an Integral Component of the Epitope of HIV Broadly Neutralizing Antibody 4E10.
Immunity, 44, 2016
7YRX
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BU of 7yrx by Molmil
Solution structures of a disulfide-directed multicyclic peptide with affinity for HER3
Descriptor: LH3
Authors:Fan, S.H, Wu, C.L.
Deposit date:2022-08-11
Release date:2023-08-16
Last modified:2024-10-30
Method:SOLUTION NMR
Cite:Disulfide-Directed Multicyclic Peptide Libraries for the Discovery of Peptide Ligands and Drugs.
J.Am.Chem.Soc., 145, 2023
9FWJ
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BU of 9fwj by Molmil
Ensemble model of ligand-free SARS-CoV-2 NSP10-NSP14 (ExoN) and in complex with partially bound VT00079
Descriptor: 2-methoxybenzamide, Guanine-N7 methyltransferase nsp14, MAGNESIUM ION, ...
Authors:Krojer, T, Kozielski, F, Sele, C, Nyblom, M, Fisher, S.Z, Knecht, W.
Deposit date:2024-06-30
Release date:2025-07-09
Method:X-RAY DIFFRACTION (2.424 Å)
Cite:Ensemble model of ligand-free SARS-CoV-2 NSP10-NSP14 (ExoN) and in complex with partially bound VT00079
To Be Published
9FWT
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BU of 9fwt by Molmil
Ensemble model of ligand-free SARS-CoV-2 NSP10-NSP14 (ExoN) and in complex with partially bound VT00259
Descriptor: DIMETHYL SULFOXIDE, Guanine-N7 methyltransferase nsp14, Non-structural protein 10, ...
Authors:Krojer, T, Kozielski, F, Sele, C, Nyblom, M, Fisher, S.Z, Knecht, W.
Deposit date:2024-06-30
Release date:2025-07-09
Method:X-RAY DIFFRACTION (1.639 Å)
Cite:Ensemble model of ligand-free SARS-CoV-2 NSP10-NSP14 (ExoN) and in complex with partially bound VT00259
To Be Published
4N37
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BU of 4n37 by Molmil
Structure of langerin CRD I313 D288 complexed with Me-Man
Descriptor: C-type lectin domain family 4 member K, CALCIUM ION, methyl alpha-D-mannopyranoside
Authors:Feinberg, H, Rowntree, T.J.W, Tan, S.L.W, Drickamer, K, Weis, W.I, Taylor, M.E.
Deposit date:2013-10-06
Release date:2013-11-20
Last modified:2024-10-09
Method:X-RAY DIFFRACTION (2 Å)
Cite:Common polymorphisms in human langerin change specificity for glycan ligands.
J.Biol.Chem., 288, 2013
4XC3
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BU of 4xc3 by Molmil
Crystal structure of human 4E10 Fab in complex with its peptide epitope on HIV-1 gp41; crystals cryoprotected with rac-glycerol 1-phosphate
Descriptor: 4E10 Fab heavy chain, 4E10 Fab light chain, MODIFIED FRAGMENT OF HIV-1 GLYCOPROTEIN (GP41) INCLUDING THE MPER REGION 671-683, ...
Authors:Irimia, A, Stanfield, R.L, Wilson, I.A.
Deposit date:2014-12-17
Release date:2016-02-03
Last modified:2025-04-02
Method:X-RAY DIFFRACTION (1.63 Å)
Cite:Crystallographic Identification of Lipid as an Integral Component of the Epitope of HIV Broadly Neutralizing Antibody 4E10.
Immunity, 44, 2016
4AON
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BU of 4aon by Molmil
Conformational dynamics of aspartate alpha-decarboxylase active site revealed by protein-ligand complexes: 1-methyl-L-aspartate complex
Descriptor: ASPARTATE-ALPHA-DECARBOXYLASE ALPHA CHAIN, ASPARTATE-ALPHA-DECARBOXYLASE BETA CHAIN, GLUTAMIC ACID
Authors:Yorke, B.A, Monteiro, D.C.F, Pearson, A.R, Webb, M.E.
Deposit date:2012-03-29
Release date:2012-10-31
Last modified:2024-11-20
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Conformational Dynamics of Aspartate Alpha Decarboxylase Active Site Revealed by Protein-Ligand Complexes
To be Published
1EPQ
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BU of 1epq by Molmil
ENDOTHIA ASPARTIC PROTEINASE (ENDOTHIAPEPSIN) COMPLEXED WITH PD-133,450 (SOT PHE GLY+SCC GCL)
Descriptor: ENDOTHIAPEPSIN, N-[(1S)-2-{[(2S,3R,4S)-1-cyclohexyl-3,4-dihydroxy-6-methylheptan-2-yl]amino}-1-(ethylsulfanyl)-2-oxoethyl]-Nalpha-(morp holin-4-ylsulfonyl)-L-phenylalaninamide, SULFATE ION
Authors:Dealwis, C, Cooper, J.B, Blundell, T.L.
Deposit date:1994-07-27
Release date:1994-12-20
Last modified:2024-10-23
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Analyses of ligand binding in five endothiapepsin crystal complexes and their use in the design and evaluation of novel renin inhibitors.
J.Med.Chem., 36, 1993
4XCY
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BU of 4xcy by Molmil
Crystal structure of human 4E10 Fab in complex with phosphatidylglycerol (06:0 PG)
Descriptor: (2S)-3-{[(R)-{[(2R)-2,3-dihydroxypropyl]oxy}(hydroxy)phosphoryl]oxy}-2-(hexanoyloxy)propyl hexanoate, 4E10 Fab heavy chain, 4E10 Fab light chain, ...
Authors:Irimia, A, Stanfield, R.L, Wilson, I.A.
Deposit date:2014-12-18
Release date:2016-02-03
Last modified:2024-11-20
Method:X-RAY DIFFRACTION (3.96 Å)
Cite:Crystallographic Identification of Lipid as an Integral Component of the Epitope of HIV Broadly Neutralizing Antibody 4E10.
Immunity, 44, 2016
4A86
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BU of 4a86 by Molmil
Crystal Structure of Major Birch Pollen Allergen Bet v 1 a in ternary complex with kinetin and 8-Anilinonaphthalene-1-sulfonate (ANS)
Descriptor: 8-ANILINO-1-NAPHTHALENE SULFONATE, MAJOR POLLEN ALLERGEN BET V 1-A, N-(FURAN-2-YLMETHYL)-7H-PURIN-6-AMINE, ...
Authors:Kofler, S, Brandstetter, H.
Deposit date:2011-11-18
Release date:2012-05-30
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (1.59 Å)
Cite:Crystallographically Mapped Ligand Binding Differs in High and Low Ige Binding Isoforms of Birch Pollen Allergen Bet V 1.
J.Mol.Biol., 422, 2012
4A84
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BU of 4a84 by Molmil
Crystal Structure of Major Birch Pollen Allergen Bet v 1 a F30V mutant in complex with deoxycholate.
Descriptor: (3ALPHA,5BETA,12ALPHA)-3,12-DIHYDROXYCHOLAN-24-OIC ACID, (4S)-2-METHYL-2,4-PENTANEDIOL, MAJOR POLLEN ALLERGEN BET V 1-A, ...
Authors:Kofler, S, Brandstetter, H.
Deposit date:2011-11-18
Release date:2012-05-30
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Crystallographically Mapped Ligand Binding Differs in High and Low Ige Binding Isoforms of Birch Pollen Allergen Bet V 1.
J.Mol.Biol., 422, 2012
2B5M
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BU of 2b5m by Molmil
Crystal Structure of DDB1
Descriptor: damage-specific DNA binding protein 1
Authors:Li, T, Chen, X, Garbutt, K.C, Zhou, P, Zheng, N.
Deposit date:2005-09-28
Release date:2006-02-28
Last modified:2024-11-06
Method:X-RAY DIFFRACTION (2.92 Å)
Cite:Structure of DDB1 in complex with a paramyxovirus V protein: viral hijack of a propeller cluster in ubiquitin ligase.
Cell(Cambridge,Mass.), 124, 2006
4N32
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BU of 4n32 by Molmil
Structure of langerin CRD with alpha-Me-GlcNAc.
Descriptor: C-type lectin domain family 4 member K, CALCIUM ION, methyl 2-acetamido-2-deoxy-alpha-D-glucopyranoside
Authors:Feinberg, H, Rowntree, T.J.W, Tan, S.L.W, Drickamer, K, Weis, W.I, Taylor, M.E.
Deposit date:2013-10-06
Release date:2013-11-20
Last modified:2024-10-30
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:Common polymorphisms in human langerin change specificity for glycan ligands.
J.Biol.Chem., 288, 2013
4A81
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BU of 4a81 by Molmil
Crystal Structure of Major Birch Pollen Allergen Bet v 1 a in ternary complex with 8-Anilinonaphthalene-1-sulfonate (ANS) and deoxycholic acid
Descriptor: (3ALPHA,5BETA,12ALPHA)-3,12-DIHYDROXYCHOLAN-24-OIC ACID, (4S)-2-METHYL-2,4-PENTANEDIOL, 8-ANILINO-1-NAPHTHALENE SULFONATE, ...
Authors:Kofler, S, Brandstetter, H.
Deposit date:2011-11-18
Release date:2012-05-30
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (2.05 Å)
Cite:Crystallographically Mapped Ligand Binding Differs in High and Low Ige Binding Isoforms of Birch Pollen Allergen Bet V 1.
J.Mol.Biol., 422, 2012
4A87
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BU of 4a87 by Molmil
Crystal Structure of Major Birch Pollen Allergen Bet v 1 a in complex with naringenin.
Descriptor: (4S)-2-METHYL-2,4-PENTANEDIOL, MAJOR POLLEN ALLERGEN BET V 1-A, NARINGENIN, ...
Authors:Kofler, S, Brandstetter, H.
Deposit date:2011-11-18
Release date:2012-05-30
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (1.24 Å)
Cite:Crystallographically Mapped Ligand Binding Differs in High and Low Ige Binding Isoforms of Birch Pollen Allergen Bet V 1.
J.Mol.Biol., 422, 2012
4A88
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BU of 4a88 by Molmil
Crystal Structure of native Major Birch Pollen Allergen Bet v 1 isoform a
Descriptor: (4S)-2-METHYL-2,4-PENTANEDIOL, MAJOR POLLEN ALLERGEN BET V 1-A, SULFATE ION
Authors:Kofler, S, Brandstetter, H.
Deposit date:2011-11-18
Release date:2012-05-30
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (1.51 Å)
Cite:Crystallographically Mapped Ligand Binding Differs in High and Low Ige Binding Isoforms of Birch Pollen Allergen Bet V 1.
J.Mol.Biol., 422, 2012
4A80
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BU of 4a80 by Molmil
Crystal Structure of Major Birch Pollen Allergen Bet v 1 a in complex with 8-Anilinonaphthalene-1-sulfonate (ANS)
Descriptor: 8-ANILINO-1-NAPHTHALENE SULFONATE, MAJOR POLLEN ALLERGEN BET V 1-A, SULFATE ION
Authors:Kofler, S, Brandstetter, H.
Deposit date:2011-11-18
Release date:2012-05-30
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (1.96 Å)
Cite:Crystallographically Mapped Ligand Binding Differs in High and Low Ige Binding Isoforms of Birch Pollen Allergen Bet V 1.
J.Mol.Biol., 422, 2012
2EVD
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BU of 2evd by Molmil
Crystal structure of human Glycolipid Transfer Protein complexed with 12:0 Lactosylceramide
Descriptor: DECANE, Glycolipid transfer protein, LAURIC ACID, ...
Authors:Malinina, L, Malakhova, M.L, Kanack, A.T, Abagyan, R, Brown, R.E, Patel, D.J.
Deposit date:2005-10-31
Release date:2006-11-14
Last modified:2023-08-23
Method:X-RAY DIFFRACTION (2 Å)
Cite:The liganding of glycolipid transfer protein is controlled by glycolipid acyl structure.
Plos Biol., 4, 2006
2EVL
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BU of 2evl by Molmil
Crystal structure of human Glycolipid Transfer Protein complexed with 18:2 Galactosylceramide
Descriptor: Glycolipid transfer protein, LINOLEIC ACID, N-OCTANE, ...
Authors:Malinina, L, Malakhova, M.L, Kanack, A.T, Abagyan, R, Brown, R.E, Patel, D.J.
Deposit date:2005-10-31
Release date:2006-11-14
Last modified:2023-08-23
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:The liganding of glycolipid transfer protein is controlled by glycolipid acyl structure.
Plos Biol., 4, 2006
4N36
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BU of 4n36 by Molmil
Structure of langerin CRD I313 D288 complexed with Me-GlcNAc
Descriptor: C-type lectin domain family 4 member K, CALCIUM ION, MAGNESIUM ION, ...
Authors:Feinberg, H, Rowntree, T.J.W, Tan, S.L.W, Drickamer, K, Weis, W.I, Taylor, M.E.
Deposit date:2013-10-06
Release date:2013-11-20
Last modified:2024-11-27
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Common polymorphisms in human langerin change specificity for glycan ligands.
J.Biol.Chem., 288, 2013

238582

数据于2025-07-09公开中

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