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7LD1
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BU of 7ld1 by Molmil
Structure of SARS-CoV-2 S protein in complex with Receptor Binding Domain antibody DH1047
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, DH1047 heavy chain, ...
Authors:Manne, K, Acharya, P.
Deposit date:2021-01-12
Release date:2021-01-27
Last modified:2021-08-18
Method:ELECTRON MICROSCOPY (3.4 Å)
Cite:In vitro and in vivo functions of SARS-CoV-2 infection-enhancing and neutralizing antibodies.
Cell, 184, 2021
7LCN
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BU of 7lcn by Molmil
Structure of SARS-CoV-2 S protein in complex with N-terminal domain antibody DH1050.1
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, DH1050.1 heavy chain, ...
Authors:Manne, K, Acharya, P.
Deposit date:2021-01-11
Release date:2021-01-27
Last modified:2021-08-18
Method:ELECTRON MICROSCOPY (3.35 Å)
Cite:In vitro and in vivo functions of SARS-CoV-2 infection-enhancing and neutralizing antibodies.
Cell, 184, 2021
7LKA
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BU of 7lka by Molmil
Crystal structure of SARS-CoV-2 RBD-targeting antibody COV107-23
Descriptor: ACETATE ION, COV107-23 heavy chain, COV107-23 light chain
Authors:Yuan, M, Zhu, X, Wilson, I.A, Wu, N.C.
Deposit date:2021-02-02
Release date:2021-02-10
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.981 Å)
Cite:Sequence signatures of two public antibody clonotypes that bind SARS-CoV-2 receptor binding domain.
Nat Commun, 12, 2021
3G5V
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BU of 3g5v by Molmil
Antibodies Specifically Targeting a Locally Misfolded Region of Tumor Associated EGFR
Descriptor: 806 light chain, 808 heavy chain, ACETATE ION, ...
Authors:Garrett, T.P.J, Burgess, A.W, Huyton, T, Xu, Y.
Deposit date:2009-02-05
Release date:2010-02-09
Last modified:2011-10-12
Method:X-RAY DIFFRACTION (2.001 Å)
Cite:Antibodies specifically targeting a locally misfolded region of tumor associated EGFR
Proc.Natl.Acad.Sci.USA, 106, 2009
7LK9
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BU of 7lk9 by Molmil
Crystal structure of SARS-CoV-2 RBD-targeting antibody COV107-23 HC + COVD21-C8 LC
Descriptor: COV107-23 heavy chain, COVD21-C8 light chain
Authors:Yuan, M, Zhu, X, Wilson, I.A, Wu, N.C.
Deposit date:2021-02-01
Release date:2021-02-17
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (3.4 Å)
Cite:Sequence signatures of two public antibody clonotypes that bind SARS-CoV-2 receptor binding domain.
Nat Commun, 12, 2021
5FFG
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BU of 5ffg by Molmil
Crystal structure of integrin alpha V beta 6 head
Descriptor: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Dong, X, Springer, T.A.
Deposit date:2015-12-18
Release date:2017-01-25
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (2.25 Å)
Cite:Force interacts with macromolecular structure in activation of TGF-beta.
Nature, 542, 2017
5F96
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BU of 5f96 by Molmil
Crystal structure of broadly neutralizing VH1-46 germline-derived CD4-binding site-directed antibody CH235.12 in complex with HIV-1 clade A/E 93TH057 gp120
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, HEAVY CHAIN OF ANTIBODY CH235.12, ...
Authors:Zhou, T, Kwong, P.D.
Deposit date:2015-12-09
Release date:2016-03-09
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (2.2407 Å)
Cite:Maturation Pathway from Germline to Broad HIV-1 Neutralizer of a CD4-Mimic Antibody.
Cell, 165, 2016
3DS6
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BU of 3ds6 by Molmil
P38 complex with a phthalazine inhibitor
Descriptor: Mitogen-activated protein kinase 14, N-cyclopropyl-4-methyl-3-[1-(2-methylphenyl)phthalazin-6-yl]benzamide
Authors:Herberich, B, Syed, R, Li, V, Grosfeld, D.
Deposit date:2008-07-11
Release date:2008-10-07
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:Discovery of highly selective and potent p38 inhibitors based on a phthalazine scaffold.
J.Med.Chem., 51, 2008
5G5J
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BU of 5g5j by Molmil
Crystal structure of human CYP3A4 bound to metformin
Descriptor: CYTOCHROME P450 3A4, Metformin, PROTOPORPHYRIN IX CONTAINING FE
Authors:Sevrioukova, I.
Deposit date:2016-05-25
Release date:2017-06-07
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Heme Binding Biguanides Target Cytochrome P450-Dependent Cancer Cell Mitochondria.
Cell Chem Biol, 24, 2017
7JWY
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BU of 7jwy by Molmil
Structure of SARS-CoV-2 spike at pH 4.5
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Spike glycoprotein
Authors:Zhou, T, Tsybovsky, Y, Kwong, P.D.
Deposit date:2020-08-26
Release date:2020-11-25
Last modified:2021-12-15
Method:ELECTRON MICROSCOPY (2.5 Å)
Cite:Cryo-EM Structures of SARS-CoV-2 Spike without and with ACE2 Reveal a pH-Dependent Switch to Mediate Endosomal Positioning of Receptor-Binding Domains.
Cell Host Microbe, 28, 2020
5F9W
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BU of 5f9w by Molmil
Crystal structure of broadly neutralizing VH1-46 germline-derived CD4-binding site-directed antibody CH235 in complex with HIV-1 clade A/E 93TH057 gp120
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Heavy chain of CH235-lineage antibody CH235, Light chain of CH235-lineage antibody CH235, ...
Authors:Chen, L, Zhou, T, Kwong, P.D.
Deposit date:2015-12-10
Release date:2016-03-09
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.8911 Å)
Cite:Maturation Pathway from Germline to Broad HIV-1 Neutralizer of a CD4-Mimic Antibody.
Cell, 165, 2016
5F89
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BU of 5f89 by Molmil
Structure of the Unliganded Fab from HIV-1 Neutralising Antibody CAP248-2B that Binds to the gp120 C-terminus - gp41 Interface
Descriptor: CAP248-2B Heavy Chain, CAP248-2B Light Chain
Authors:Wibmer, C.K, Gorman, J, Kwong, P.D.
Deposit date:2015-12-09
Release date:2016-12-21
Last modified:2017-03-29
Method:X-RAY DIFFRACTION (2.7842 Å)
Cite:Structure and Recognition of a Novel HIV-1 gp120-gp41 Interface Antibody that Caused MPER Exposure through Viral Escape.
PLoS Pathog., 13, 2017
5FFO
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BU of 5ffo by Molmil
Integrin alpha V beta 6 in complex with pro-TGF-beta
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, ...
Authors:Dong, X, Zhao, B, Springer, T.A.
Deposit date:2015-12-18
Release date:2017-01-25
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (3.49 Å)
Cite:Force interacts with macromolecular structure in activation of TGF-beta.
Nature, 542, 2017
3G0Y
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BU of 3g0y by Molmil
Structure of E. coli FabF(C163Q) in complex with dihydroplatensimycin
Descriptor: 3-({3-[(1S,4aS,6S,7S,9S,9aR)-1,6-dimethyl-2-oxodecahydro-6,9-epoxy-4a,7-methanobenzo[7]annulen-1-yl]propanoyl}amino)-2,4-dihydroxybenzoic acid, 3-oxoacyl-[acyl-carrier-protein] synthase 2
Authors:Soisson, S.M, Parthasarathy, G.
Deposit date:2009-01-29
Release date:2009-03-17
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Synthesis and biological evaluation of platensimycin analogs.
Bioorg.Med.Chem.Lett., 19, 2009
3GCW
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BU of 3gcw by Molmil
PCSK9:EGFA(H306Y)
Descriptor: CALCIUM ION, Low-density lipoprotein receptor, Proprotein convertase subtilisin/kexin type 9
Authors:Kwon, H.J.
Deposit date:2009-02-22
Release date:2009-03-03
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Antagonism of Secreted PCSK9 Increases Low Density Lipoprotein Receptor Expression in HepG2 Cells.
J.Biol.Chem., 284, 2009
3DYS
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BU of 3dys by Molmil
human phosphodiestrase-5'GMP complex (EP), produced by soaking with 20mM cGMP+20 mM MnCl2+20 mM MgCl2 for 2 hours, and flash-cooled to liquid nitrogen temperature when substrate was still abudant.
Descriptor: 3-ISOBUTYL-1-METHYLXANTHINE, FORMIC ACID, GUANOSINE-5'-MONOPHOSPHATE, ...
Authors:Liu, S, Mansour, M.N, Dillman, K, Perez, J, Danley, D, Menniti, F.
Deposit date:2008-07-28
Release date:2008-09-16
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Structural basis for the catalytic mechanism of human phosphodiesterase 9.
Proc.Natl.Acad.Sci.Usa, 105, 2008
3DYQ
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BU of 3dyq by Molmil
human phosphodiestrase 9 (inhibited by omitting divalent cation) in complex with cGMP
Descriptor: 3-ISOBUTYL-1-METHYLXANTHINE, CYCLIC GUANOSINE MONOPHOSPHATE, High affinity cGMP-specific 3',5'-cyclic phosphodiesterase 9A, ...
Authors:Liu, S, Mansour, M.N, Dillman, K, Perez, J, Danley, D, Menniti, F.
Deposit date:2008-07-28
Release date:2008-09-16
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Structural basis for the catalytic mechanism of human phosphodiesterase 9.
Proc.Natl.Acad.Sci.Usa, 105, 2008
5EOL
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BU of 5eol by Molmil
Crystal structure of human Pim-1 kinase in complex with a macrocyclic quinoxaline-pyrrolodihydropiperidinone inhibitor
Descriptor: GLYCEROL, Serine/threonine-protein kinase pim-1, macrocyclic quinoxaline-pyrrolodihydropiperidinone
Authors:Mohr, C.
Deposit date:2015-11-10
Release date:2016-05-04
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Discovery and Optimization of Macrocyclic Quinoxaline-pyrrolo-dihydropiperidinones as Potent Pim-1/2 Kinase Inhibitors.
Acs Med.Chem.Lett., 7, 2016
5EHR
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BU of 5ehr by Molmil
Non-receptor Protein Tyrosine Phosphatase SHP2 in Complex with Allosteric Inhibitor SHP099
Descriptor: 6-(4-azanyl-4-methyl-piperidin-1-yl)-3-[2,3-bis(chloranyl)phenyl]pyrazin-2-amine, PHOSPHATE ION, Tyrosine-protein phosphatase non-receptor type 11
Authors:Stams, T, Fodor, M.
Deposit date:2015-10-28
Release date:2016-06-29
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Allosteric inhibition of SHP2 phosphatase inhibits cancers driven by receptor tyrosine kinases.
Nature, 535, 2016
3G5Z
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BU of 3g5z by Molmil
Antibodies Specifically Targeting a Locally Misfolded Region of Tumor Associated EGFR
Descriptor: 175 heavy chain, 175 light chain
Authors:Garrett, T.P.J, Burgess, A.W.
Deposit date:2009-02-05
Release date:2010-02-09
Last modified:2011-10-12
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Antibodies specifically targeting a locally misfolded region of tumor associated EGFR
Proc.Natl.Acad.Sci.USA, 106, 2009
3G5D
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BU of 3g5d by Molmil
Kinase domain of cSrc in complex with Dasatinib
Descriptor: GLYCEROL, N-(2-CHLORO-6-METHYLPHENYL)-2-({6-[4-(2-HYDROXYETHYL)PIPERAZIN-1-YL]-2-METHYLPYRIMIDIN-4-YL}AMINO)-1,3-THIAZOLE-5-CARBOXAMIDE, Proto-oncogene tyrosine-protein kinase Src
Authors:Grutter, C, Kluter, S, Rauh, D.
Deposit date:2009-02-05
Release date:2009-06-02
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Hybrid compound design to overcome the gatekeeper T338M mutation in cSrc
J.Med.Chem., 52, 2009
3G5Y
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BU of 3g5y by Molmil
Antibodies Specifically Targeting a Locally Misfolded Region of Tumor Associated EGFR
Descriptor: 175 heavy chain, 175 light chain, EGFR peptide
Authors:Garrett, T.P.J, Burgess, A.W.
Deposit date:2009-02-05
Release date:2010-02-09
Last modified:2011-10-12
Method:X-RAY DIFFRACTION (1.59 Å)
Cite:Antibodies specifically targeting a locally misfolded region of tumor associated EGFR
Proc.Natl.Acad.Sci.USA, 106, 2009
3DYL
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BU of 3dyl by Molmil
human phosphdiesterase 9 substrate complex (ES complex)
Descriptor: 3-ISOBUTYL-1-METHYLXANTHINE, CYCLIC GUANOSINE MONOPHOSPHATE, FORMIC ACID, ...
Authors:Liu, S, Mansour, M.N, Dillman, K, Perez, J, Danley, D, Menniti, F.
Deposit date:2008-07-28
Release date:2008-09-16
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Structural basis for the catalytic mechanism of human phosphodiesterase 9.
Proc.Natl.Acad.Sci.Usa, 105, 2008
3DKX
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BU of 3dkx by Molmil
Crystal Structure of the replication initiator protein encoded on plasmid pMV158 (RepB), trigonal form, to 2.7 Ang resolution
Descriptor: CHLORIDE ION, MAGNESIUM ION, MANGANESE (II) ION, ...
Authors:Boer, D.R, Ruiz-Maso, J.A, Blanco, A.G, Vives-Llacer, M, Uson, I, Gomis-Ruth, F.X, Espinosa, M, Del Solar, G, Coll, M.
Deposit date:2008-06-26
Release date:2009-06-30
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Plasmid replication initiator RepB forms a hexamer reminiscent of ring helicases and has mobile nuclease domains
Embo J., 28, 2009
3DY8
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BU of 3dy8 by Molmil
Human Phosphodiesterase 9 in complex with product 5'-GMP (E+P complex)
Descriptor: 3-ISOBUTYL-1-METHYLXANTHINE, FORMIC ACID, GUANOSINE-5'-MONOPHOSPHATE, ...
Authors:Liu, S, Mansour, M.N, Dillman, K, Perez, J, Danley, D, Menniti, F.
Deposit date:2008-07-25
Release date:2008-09-16
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (2.15 Å)
Cite:Structural basis for the catalytic mechanism of human phosphodiesterase 9.
Proc.Natl.Acad.Sci.Usa, 105, 2008

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