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3DYN
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BU of 3dyn by Molmil
human phosphodiestrase 9 in complex with cGMP (Zn inhibited)
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 (2.1 Å)
Cite:Structural basis for the catalytic mechanism of human phosphodiesterase 9.
Proc.Natl.Acad.Sci.Usa, 105, 2008
3DKY
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BU of 3dky by Molmil
Crystal Structure of the replication initiator protein encoded on plasmid pMV158 (RepB), tetragonal form, to 3.6 Ang resolution
Descriptor: MANGANESE (II) ION, Replication protein repB
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:2023-11-01
Method:X-RAY DIFFRACTION (3.6 Å)
Cite:Plasmid replication initiator RepB forms a hexamer reminiscent of ring helicases and has mobile nuclease domains
Embo J., 28, 2009
3DVN
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BU of 3dvn by Molmil
Crystal structure of K63-specific fab Apu2.16 bound to K63-linked di-ubiquitin
Descriptor: Human IgG1 fab fragment heavy chain, Human IgG1 fab fragment light chain, Ubiquitin, ...
Authors:Hymowitz, S.G.
Deposit date:2008-07-18
Release date:2008-09-30
Last modified:2021-10-20
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Ubiquitin chain editing revealed by polyubiquitin linkage-specific antibodies.
Cell(Cambridge,Mass.), 134, 2008
3DYA
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BU of 3dya by Molmil
HIV-1 RT with non-nucleoside inhibitor annulated Pyrazole 1
Descriptor: 3-[6-bromo-2-fluoro-3-(1H-pyrazolo[3,4-c]pyridazin-3-ylmethyl)phenoxy]-5-chlorobenzonitrile, REVERSE TRANSCRIPTASE/RIBONUCLEASE H, p51 RT
Authors:Harris, S.F, Villasenor, A.
Deposit date:2008-07-25
Release date:2008-11-25
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Design of annulated pyrazoles as inhibitors of HIV-1 reverse transcriptase
J.Med.Chem., 51, 2008
3G11
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BU of 3g11 by Molmil
Structure of E. coli FabF(C163Q) in complex with dihydrophenyl platensimycin
Descriptor: 3-({3-[(1S,4S,4aS,6S,7S,9S,9aR)-1,6-dimethyl-2-oxo-4-phenyldecahydro-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 Å)
Cite:Synthesis and biological evaluation of platensimycin analogs.
Bioorg.Med.Chem.Lett., 19, 2009
7JWB
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BU of 7jwb by Molmil
SARS CoV2 Spike ectodomain with engineered trimerized VH binder
Descriptor: Spike glycoprotein, autonomous human heavy chain variable domain
Authors:QCRG Structural Biology Consortium
Deposit date:2020-08-25
Release date:2020-10-07
Last modified:2020-12-30
Method:ELECTRON MICROSCOPY (6 Å)
Cite:Bi-paratopic and multivalent VH domains block ACE2 binding and neutralize SARS-CoV-2.
Nat.Chem.Biol., 17, 2021
3GBO
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BU of 3gbo by Molmil
Crystal structure of BmooMPalpha-I, a non-hemorrhagic metalloproteinase isolated from Bothrops moojeni snake venom
Descriptor: CALCIUM ION, ZINC ION, Zinc metalloproteinase BmooMPalfa-I
Authors:Akao, P.K, Tonoli, C.C.C, Murakami, M.T.
Deposit date:2009-02-20
Release date:2009-09-22
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (1.77 Å)
Cite:Structural studies of BmooMPalpha-I, a non-hemorrhagic metalloproteinase from Bothrops moojeni venom.
Toxicon, 55, 2010
3ESZ
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BU of 3esz by Molmil
K2AK3A Flavodoxin from Anabaena
Descriptor: FLAVIN MONONUCLEOTIDE, FLAVODOXIN, GLYCEROL, ...
Authors:Herguedas, B, Martinez-Julvez, M, Hermoso, J, Goni, G, Medina, M.
Deposit date:2008-10-06
Release date:2009-02-10
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (1.94 Å)
Cite:Flavodoxin: A compromise between efficiency and versatility in the electron transfer from Photosystem I to Ferredoxin-NADP(+) reductase
Biochim.Biophys.Acta, 1787, 2009
5EX1
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BU of 5ex1 by Molmil
Crystal structure of cyclophilin AquaCyp300 from Hirschia baltica
Descriptor: MAGNESIUM ION, Peptidyl-prolyl cis-trans isomerase cyclophilin type
Authors:Jakob, R.P, Maier, T.
Deposit date:2015-11-23
Release date:2016-06-22
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.053 Å)
Cite:Structural and Functional Characterization of a Novel Family of Cyclophilins, the AquaCyps.
Plos One, 11, 2016
5G1E
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BU of 5g1e by Molmil
The complex structure of syntenin-1 PDZ domain with c-terminal extension
Descriptor: SYNTENIN-1
Authors:Lee, I, Kim, H, Yun, J.H, Lee, W.
Deposit date:2016-03-25
Release date:2016-11-23
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (1.92 Å)
Cite:New Structural Insight of C-Terminal Region of Syntenin-1, Enhancing the Molecular Dimerization and Inhibitory Function Related on Syndecan-4 Signaling.
Sci.Rep., 6, 2016
5FCS
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BU of 5fcs by Molmil
Diabody
Descriptor: Diabody, SULFATE ION
Authors:Mosyak, L, Root, A.
Deposit date:2015-12-15
Release date:2016-12-14
Last modified:2019-11-13
Method:X-RAY DIFFRACTION (2.01 Å)
Cite:Development of PF-06671008, a Highly Potent Anti-P-cadherin/Anti-CD3 Bispecific DART Molecule with Extended Half-Life for the Treatment of Cancer.
Antibodies, 5, 2016
7LAB
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BU of 7lab by Molmil
Structure of SARS-CoV-2 S protein in complex with N-terminal domain antibody DH1052
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, DH1052 heavy chain, ...
Authors:Manne, K, Acharya, P.
Deposit date:2021-01-06
Release date:2021-03-10
Last modified:2021-08-18
Method:ELECTRON MICROSCOPY (2.97 Å)
Cite:In vitro and in vivo functions of SARS-CoV-2 infection-enhancing and neutralizing antibodies.
Cell, 184, 2021
7LAA
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BU of 7laa by Molmil
Structure of SARS-CoV-2 S protein in complex with Receptor Binding Domain antibody DH1041
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, DH1041 heavy chain, ...
Authors:Manne, K, Acharya, P.
Deposit date:2021-01-06
Release date:2021-03-17
Last modified:2021-08-18
Method:ELECTRON MICROSCOPY (3.42 Å)
Cite:In vitro and in vivo functions of SARS-CoV-2 infection-enhancing and neutralizing antibodies.
Cell, 184, 2021
3DT1
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BU of 3dt1 by Molmil
P38 Complexed with a quinazoline inhibitor
Descriptor: Mitogen-activated protein kinase 14, N-cyclopropyl-4-methyl-3-{2-[(2-morpholin-4-ylethyl)amino]quinazolin-6-yl}benzamide
Authors:Herberich, B, Syed, R, Li, V, Tasker, A.S.
Deposit date:2008-07-14
Release date:2008-10-14
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Discovery of highly selective and potent p38 inhibitors based on a phthalazine scaffold.
J.Med.Chem., 51, 2008
5HUC
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BU of 5huc by Molmil
DAHP synthase from Corynebacterium glutamicum
Descriptor: (4S)-2-METHYL-2,4-PENTANEDIOL, 3-Deoxy-D-arabino-heptulosonate 7-phosphate (DAHP) synthase, MANGANESE (II) ION, ...
Authors:Burschowsky, D, Heim, J.B, Thorbjoernsrud, H.V, Krengel, U.
Deposit date:2016-01-27
Release date:2017-08-02
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.45 Å)
Cite:Inter-Enzyme Allosteric Regulation of Chorismate Mutase in Corynebacterium glutamicum: Structural Basis of Feedback Activation by Trp.
Biochemistry, 57, 2018
5HM7
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BU of 5hm7 by Molmil
The Intracellular domain of Butyrophilin 3A1 protein
Descriptor: BETA-MERCAPTOETHANOL, Butyrophilin subfamily 3 member A1, GLYCEROL, ...
Authors:Adams, E.J, Gu, S.
Deposit date:2016-01-15
Release date:2017-07-26
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.93 Å)
Cite:Phosphoantigen-induced conformational change of butyrophilin 3A1 (BTN3A1) and its implication on V gamma 9V delta 2 T cell activation.
Proc. Natl. Acad. Sci. U.S.A., 114, 2017
3E01
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BU of 3e01 by Molmil
HIV-RT with non-nucleoside inhibitor annulated pyrazole 2
Descriptor: 3-[2-bromo-4-(1H-pyrazolo[3,4-c]pyridazin-3-ylmethyl)phenoxy]-5-methylbenzonitrile, Gag-Pol polyprotein
Authors:Harris, S.F, Villasenor, A.
Deposit date:2008-07-30
Release date:2008-11-25
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (2.95 Å)
Cite:Design of annulated pyrazoles as inhibitors of HIV-1 reverse transcriptase
J.Med.Chem., 51, 2008
5DXF
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BU of 5dxf by Molmil
Structure of Candida albicans trehalose-6-phosphate phosphatase N-terminal domain
Descriptor: trehalose-6-phosphate phosphatase
Authors:Miao, Y, Brennan, R.G.
Deposit date:2015-09-23
Release date:2016-06-15
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.563 Å)
Cite:Structures of trehalose-6-phosphate phosphatase from pathogenic fungi reveal the mechanisms of substrate recognition and catalysis.
Proc.Natl.Acad.Sci.USA, 113, 2016
5DYL
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BU of 5dyl by Molmil
Crystal structure of the cGMP-dependent protein kinase PKG from Plasmodium Vivax - Apo form
Descriptor: cGMP-dependent protein kinase, putative
Authors:Wernimont, A.K, Tempel, W, He, H, Seitova, A, Hills, T, Neculai, A.M, Baker, D.A, Flueck, C, Kettleborough, C.A, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Hui, R, Hutchinson, A, El Bakkouri, M, Structural Genomics Consortium (SGC)
Deposit date:2015-09-24
Release date:2015-11-04
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Structures of the cGMP-dependent protein kinase in malaria parasites reveal a unique structural relay mechanism for activation.
Proc.Natl.Acad.Sci.USA, 116, 2019
3DTC
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BU of 3dtc by Molmil
Crystal structure of mixed-lineage kinase MLK1 complexed with compound 16
Descriptor: 12-(2-hydroxyethyl)-2-(1-methylethoxy)-13,14-dihydronaphtho[2,1-a]pyrrolo[3,4-c]carbazol-5(12H)-one, Mitogen-activated protein kinase kinase kinase 9, SULFATE ION
Authors:Fedorov, A.A, Fedorov, E.V, Meyer, S.L, Hudkins, R.L, Almo, S.C.
Deposit date:2008-07-14
Release date:2009-03-31
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Mixed-lineage kinase 1 and mixed-lineage kinase 3 subtype-selective dihydronaphthyl[3,4-a]pyrrolo[3,4-c]carbazole-5-ones: optimization, mixed-lineage kinase 1 crystallography, and oral in vivo activity in 1-methyl-4-phenyltetrahydropyridine models.
J.Med.Chem., 51, 2008
3DVG
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BU of 3dvg by Molmil
Crystal structure of K63-specific fab Apu.3A8 bound to K63-linked di-ubiquitin
Descriptor: Human IgG1 fab fragment heavy chain, Human IgG1 fab fragment light chain, Ubiquitin, ...
Authors:Hymowitz, S.G.
Deposit date:2008-07-18
Release date:2008-09-30
Last modified:2021-10-20
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Ubiquitin chain editing revealed by polyubiquitin linkage-specific antibodies.
Cell(Cambridge,Mass.), 134, 2008
5HD2
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BU of 5hd2 by Molmil
The crystal structure of SeMet-Cry51Aa2-L11M
Descriptor: Parasporal crystal protein
Authors:Rydel, T.J, Sturman, E.J, Moshiri, F.
Deposit date:2016-01-04
Release date:2016-07-20
Last modified:2016-08-03
Method:X-RAY DIFFRACTION (2.276 Å)
Cite:A transgenic approach for controlling Lygus in cotton.
Nat Commun, 7, 2016
5HEE
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BU of 5hee by Molmil
Crystal structure of the TK2203 protein
Descriptor: GLYCEROL, Putative uncharacterized protein, TK2203 protein, ...
Authors:Nishitani, Y, Miki, K.
Deposit date:2016-01-06
Release date:2016-06-29
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (1.41 Å)
Cite:Crystal structure of the TK2203 protein from Thermococcus kodakarensis, a putative extradiol dioxygenase
Acta Crystallogr.,Sect.F, 72, 2016
3EXD
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BU of 3exd by Molmil
Sulfur-SAD phased HEWL Crystal
Descriptor: Lysozyme C
Authors:Nascimento, A.S, Liberato, M.V, Polikarpov, I.
Deposit date:2008-10-16
Release date:2008-10-28
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (1.49 Å)
Cite:The MX2 macromolecular crystallography beamline: a wiggler X-ray source at the LNLS.
J.Synchrotron Radiat., 16, 2009
3F3T
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BU of 3f3t by Molmil
Kinase domain of cSrc in complex with inhibitor RL38 (Type III)
Descriptor: 1-[1-(3-aminophenyl)-3-tert-butyl-1H-pyrazol-5-yl]-3-naphthalen-1-ylurea, Proto-oncogene tyrosine-protein kinase Src
Authors:Gruetter, C, Klueter, S, Getlik, M, Rauh, D.
Deposit date:2008-10-31
Release date:2009-03-03
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:A new screening assay for allosteric inhibitors of cSrc
Nat.Chem.Biol., 5, 2009

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數據於2024-07-17公開中

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