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7S07
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BU of 7s07 by Molmil
Crystal structure of Epstein-Barr virus glycoprotein gH/gL/gp42-peptide in complex with human neutralizing antibodies 769B10 and 769C2
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 769B10 Fab heavy chain, 769B10 Fab light chain, ...
Authors:Chen, W.-H, Kanekiyo, M, Cohen, J.I, Joyce, M.G.
Deposit date:2021-08-30
Release date:2022-11-09
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (3.29 Å)
Cite:Epstein-Barr virus gH/gL has multiple sites of vulnerability for virus neutralization and fusion inhibition.
Immunity, 55, 2022
7S0J
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BU of 7s0j by Molmil
Crystal structure of Epstein-Barr virus gH/gL targeting antibody 769B10
Descriptor: 769B10 Fab Heavy chain, 769B10 Fab Light chain, GLYCEROL
Authors:Chen, W.-H, Kanekiyo, M, Cohen, J.I, Joyce, M.G.
Deposit date:2021-08-30
Release date:2022-11-09
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.15 Å)
Cite:Epstein-Barr virus gH/gL has multiple sites of vulnerability for virus neutralization and fusion inhibition.
Immunity, 55, 2022
7S08
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BU of 7s08 by Molmil
Crystal structure of Epstein-Barr virus gH/gL targeting antibody 770F7
Descriptor: 770F7 Fab Heavy chain, 770F7 Fab Light chain, GLYCEROL
Authors:Chen, W.-H, Joyce, M.G.
Deposit date:2021-08-30
Release date:2022-11-09
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.42 Å)
Cite:Epstein-Barr virus gH/gL has multiple sites of vulnerability for virus neutralization and fusion inhibition.
Immunity, 55, 2022
3UPZ
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BU of 3upz by Molmil
Calcium-Dependent Protein Kinase 1 from Toxoplasma gondii (TgCDPK1) in complex with bumpless BKI analog UW1243
Descriptor: 1-(piperidin-4-ylmethyl)-1H-pyrazolo[3,4-d]pyrimidin-4-amine, Calmodulin-domain protein kinase 1
Authors:Merritt, E.A, Larson, E.T.
Deposit date:2011-11-18
Release date:2012-03-14
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Multiple Determinants for Selective Inhibition of Apicomplexan Calcium-Dependent Protein Kinase CDPK1.
J.Med.Chem., 55, 2012
3UQF
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BU of 3uqf by Molmil
c-SRC kinase domain in complex with BKI RM-1-89
Descriptor: 3-(6-ethoxynaphthalen-2-yl)-1-(propan-2-yl)-1H-pyrazolo[3,4-d]pyrimidin-4-amine, Proto-oncogene tyrosine-protein kinase Src
Authors:Merritt, E.A, Larson, E.T.
Deposit date:2011-11-20
Release date:2012-03-14
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.27 Å)
Cite:Multiple Determinants for Selective Inhibition of Apicomplexan Calcium-Dependent Protein Kinase CDPK1.
J.Med.Chem., 55, 2012
3UQG
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BU of 3uqg by Molmil
c-SRC kinase domain in complex with bumpless BKI analog UW1243
Descriptor: 1-(piperidin-4-ylmethyl)-1H-pyrazolo[3,4-d]pyrimidin-4-amine, Proto-oncogene tyrosine-protein kinase Src
Authors:Merritt, E.A, Larson, E.T.
Deposit date:2011-11-20
Release date:2012-03-14
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Multiple Determinants for Selective Inhibition of Apicomplexan Calcium-Dependent Protein Kinase CDPK1.
J.Med.Chem., 55, 2012
3V5T
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BU of 3v5t by Molmil
Calcium-Dependent Protein Kinase 1 from Toxoplasma gondii (TgCDPK1) in complex with inhibitor UW1299
Descriptor: 1-[(2S)-2-(dimethylamino)-3-methylbutyl]-3-(6-ethoxynaphthalen-2-yl)-1H-pyrazolo[3,4-d]pyrimidin-4-amine, Calmodulin-domain protein kinase 1
Authors:Merritt, E.A, Larson, E.T.
Deposit date:2011-12-16
Release date:2012-03-14
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.13 Å)
Cite:Multiple Determinants for Selective Inhibition of Apicomplexan Calcium-Dependent Protein Kinase CDPK1.
J.Med.Chem., 55, 2012
3V51
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BU of 3v51 by Molmil
Calcium-Dependent Protein Kinase 1 from Toxoplasma gondii (TgCDPK1) in complex with inhibitor RM-1-176
Descriptor: 3-{6-[(3-chlorobenzyl)oxy]naphthalen-2-yl}-1-(propan-2-yl)-1H-pyrazolo[3,4-d]pyrimidin-4-amine, Calmodulin-domain protein kinase 1
Authors:Merritt, E.A, Larson, E.T.
Deposit date:2011-12-15
Release date:2012-03-14
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Multiple Determinants for Selective Inhibition of Apicomplexan Calcium-Dependent Protein Kinase CDPK1.
J.Med.Chem., 55, 2012
3V5P
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BU of 3v5p by Molmil
Calcium-Dependent Protein Kinase 1 from Toxoplasma gondii (TgCDPK1) in complex with inhibitor UW1288
Descriptor: 3-(4-methoxy-3-methylphenyl)-1-(piperidin-4-ylmethyl)-1H-pyrazolo[3,4-d]pyrimidin-4-amine, Calmodulin-domain protein kinase 1
Authors:Merritt, E.A, Larson, E.T.
Deposit date:2011-12-16
Release date:2012-03-14
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Multiple Determinants for Selective Inhibition of Apicomplexan Calcium-Dependent Protein Kinase CDPK1.
J.Med.Chem., 55, 2012
3UPX
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BU of 3upx by Molmil
Calcium-Dependent Protein Kinase 1 from Toxoplasma gondii (TgCDPK1) in complex with inhibitor UW1300
Descriptor: Calmodulin-domain protein kinase 1, [2-amino-1-(piperidin-4-ylmethyl)-1H-benzimidazol-6-yl](phenyl)methanone
Authors:Merritt, E.A, Larson, E.T.
Deposit date:2011-11-18
Release date:2012-03-14
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.27 Å)
Cite:Multiple Determinants for Selective Inhibition of Apicomplexan Calcium-Dependent Protein Kinase CDPK1.
J.Med.Chem., 55, 2012
5F8E
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BU of 5f8e by Molmil
Rv2258c-SAH
Descriptor: Methyltransferase, S-ADENOSYL-L-HOMOCYSTEINE
Authors:Im, H.N, Suh, S.W.
Deposit date:2015-12-09
Release date:2016-06-29
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:Crystal structure of Rv2258c from Mycobacterium tuberculosis H37Rv, an S-adenosyl-l-methionine-dependent methyltransferase
J.Struct.Biol., 193, 2016
5F8C
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BU of 5f8c by Molmil
Rv2258c-unbound
Descriptor: GLYCEROL, Methyltransferase
Authors:Im, H.N, Suh, S.W.
Deposit date:2015-12-09
Release date:2016-06-29
Method:X-RAY DIFFRACTION (1.83 Å)
Cite:Crystal structure of Rv2258c from Mycobacterium tuberculosis H37Rv, an S-adenosyl-l-methionine-dependent methyltransferase
J.Struct.Biol., 193, 2016
5F8F
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BU of 5f8f by Molmil
Rv2258c-SFG
Descriptor: GLYCEROL, Methyltransferase, SINEFUNGIN
Authors:Im, H.N, Suh, S.W.
Deposit date:2015-12-09
Release date:2016-06-29
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Crystal structure of Rv2258c from Mycobacterium tuberculosis H37Rv, an S-adenosyl-l-methionine-dependent methyltransferase
J.Struct.Biol., 193, 2016
5UIX
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BU of 5uix by Molmil
Crystal Structure of the DH576 CD4bs Fab (unliganded) from the RV305 HIV Vaccine Trial
Descriptor: DH576 Fab heavy chain, DH576 Fab light chain
Authors:Fera, D, Harrison, S.C.
Deposit date:2017-01-15
Release date:2017-03-08
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.501 Å)
Cite:Boosting of HIV envelope CD4 binding site antibodies with long variable heavy third complementarity determining region in the randomized double blind RV305 HIV-1 vaccine trial.
PLoS Pathog., 13, 2017
5WW0
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BU of 5ww0 by Molmil
Crystal structure of Set7, a novel histone methyltransferase in Schizossacharomyces pombe
Descriptor: SET domain-containing protein 7, SULFATE ION
Authors:Mevius, D.E.H.F, Shen, Y, Morishita, M, Carrozzini, B, Caliandro, R, di Luccio, E.
Deposit date:2016-12-30
Release date:2017-12-06
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Set7 Is a H3K37 Methyltransferase in Schizosaccharomyces pombe and Is Required for Proper Gametogenesis.
Structure, 27, 2019
2MBC
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BU of 2mbc by Molmil
Solution Structure of human holo-PRL-3 in complex with vanadate
Descriptor: Protein tyrosine phosphatase type IVA 3
Authors:Jeong, K, Kang, D, Kim, J, Shin, S, Jin, B, Lee, C, Kim, E, Jeon, Y.H, Kim, Y.
Deposit date:2013-07-29
Release date:2013-10-09
Last modified:2023-06-14
Method:SOLUTION NMR
Cite:Structure and backbone dynamics of vanadate-bound PRL-3: comparison of 15N nuclear magnetic resonance relaxation profiles of free and vanadate-bound PRL-3.
Biochemistry, 53, 2014
8PM2
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BU of 8pm2 by Molmil
Structure of the murine trace amine-associated receptor TAAR7f bound to N,N-dimethylcyclohexylamine (DMCH) in complex with mini-Gs trimeric G protein
Descriptor: CHOLESTEROL HEMISUCCINATE, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, Guanine nucleotide-binding protein G(I)/G(S)/G(T) subunit beta-1, ...
Authors:Gusach, A, Lee, Y, Edwards, P.C, Huang, F, Weyand, S.N, Tate, C.G.
Deposit date:2023-06-28
Release date:2023-08-09
Method:ELECTRON MICROSCOPY (2.92 Å)
Cite:Molecular recognition of an aversive odorant by the murine trace amine-associated receptor TAAR7f.
Biorxiv, 2023
2OO8
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BU of 2oo8 by Molmil
Synthesis, Structural Analysis, and SAR Studies of Triazine Derivatives as Potent, Selective Tie-2 Inhibitors
Descriptor: Angiopoietin-1 receptor, N-{3-[3-(DIMETHYLAMINO)PROPYL]-5-(TRIFLUOROMETHYL)PHENYL}-4-METHYL-3-[(3-PYRIMIDIN-4-YLPYRIDIN-2-YL)AMINO]BENZAMIDE
Authors:Bellon, S.F, Kim, J.
Deposit date:2007-01-25
Release date:2007-03-20
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Synthesis, structural analysis, and SAR studies of triazine derivatives as potent, selective Tie-2 inhibitors.
Bioorg.Med.Chem.Lett., 17, 2007
2OSC
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BU of 2osc by Molmil
Synthesis, Structural Analysis, and SAR Studies of Triazine Derivatives as Potent, Selective Tie-2 Inhibitors
Descriptor: Angiopoietin-1 receptor, N-{4-METHYL-3-[(3-PYRIMIDIN-4-YLPYRIDIN-2-YL)AMINO]PHENYL}-3-(TRIFLUOROMETHYL)BENZAMIDE
Authors:Bellon, S.F, Kim, J.
Deposit date:2007-02-05
Release date:2007-03-20
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Synthesis, structural analysis, and SAR studies of triazine derivatives as potent, selective Tie-2 inhibitors.
Bioorg.Med.Chem.Lett., 17, 2007
3SX9
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BU of 3sx9 by Molmil
Calcium-Dependent Protein Kinase 1 from Toxoplasma gondii (TgCDPK1) in complex with Bumped Kinase Inhibitor, RM-1-132
Descriptor: 3-(6-ethoxynaphthalen-2-yl)-1-(piperidin-4-ylmethyl)-1H-pyrazolo[3,4-d]pyrimidin-4-amine, Calmodulin-domain protein kinase 1
Authors:Larson, E.T, Merritt, E.A.
Deposit date:2011-07-14
Release date:2012-03-14
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (2.65 Å)
Cite:Multiple determinants for selective inhibition of apicomplexan calcium-dependent protein kinase CDPK1.
J.Med.Chem., 55, 2012
2J7Z
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BU of 2j7z by Molmil
Crystal Structure of recombinant Human Stromal Cell-Derived Factor- 1alpha
Descriptor: STROMAL CELL-DERIVED FACTOR 1 ALPHA
Authors:Ryu, E.K, Kim, T.G, Kwon, T.H, Jung, I.D, Ryu, D.W, Park, Y.-M, Ahn, K, Ban, C.
Deposit date:2006-10-18
Release date:2006-10-23
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Crystal Structure of Recombinant Human Stromal Cell-Derived Factor-1Alpha.
Proteins, 67, 2007
5V7U
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BU of 5v7u by Molmil
Cyrstal structure of anti-Tau antibody CBTAU-22.1 Fab
Descriptor: CBTAU-22.1 Fab heavy chain, CBTAU-22.1 Fab light chain, SULFATE ION
Authors:Zhu, X, Zhang, H, Wilson, I.A.
Deposit date:2017-03-20
Release date:2017-04-12
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.64 Å)
Cite:Immunological memory to hyperphosphorylated tau in asymptomatic individuals.
Acta Neuropathol., 133, 2017
5V7R
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BU of 5v7r by Molmil
Cyrstal structure of anti-Tau antibody CBTAU-7.1 Fab
Descriptor: CBTAU-7.1 Fab heavy chain, CBTAU-7.1 Fab light chain
Authors:Zhu, X, Zhang, H, Wilson, I.A.
Deposit date:2017-03-20
Release date:2017-04-12
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Immunological memory to hyperphosphorylated tau in asymptomatic individuals.
Acta Neuropathol., 133, 2017
8E90
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BU of 8e90 by Molmil
Inhibition of Human Menin by SNDX-5613
Descriptor: 1,2-ETHANEDIOL, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 2-({4-[7-({(1r,4r)-4-[(ethanesulfonyl)amino]cyclohexyl}methyl)-2,7-diazaspiro[3.5]nonan-2-yl]pyrimidin-5-yl}oxy)-N-ethyl-5-fluoro-N-(propan-2-yl)benzamide, ...
Authors:McKeever, B.M, KULKARNI, S, McGeehan, G.M.
Deposit date:2022-08-26
Release date:2022-12-14
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:MEN1 mutations mediate clinical resistance to menin inhibition.
Nature, 615, 2023
1KOZ
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BU of 1koz by Molmil
SOLUTION STRUCTURE OF OMEGA-GRAMMOTOXIN SIA
Descriptor: Voltage-dependent Channel Inhibitor
Authors:Takeuchi, K, Park, E.J, Lee, C.W, Kim, J.I, Takahashi, H, Swartz, K.J, Shimada, I.
Deposit date:2001-12-25
Release date:2002-08-28
Last modified:2022-02-23
Method:SOLUTION NMR
Cite:Solution structure of omega-grammotoxin SIA, a gating modifier of P/Q and N-type Ca(2+) channel.
J.Mol.Biol., 321, 2002

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