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2KJL
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BU of 2kjl by Molmil
NMR structures of a designed Cyanovirin-N homolog lectin; LKAMG
Descriptor: Cyanovirin-N homolog
Authors:Koharudin, L.M.I, Gronenborn, A.M.
Deposit date:2009-05-31
Release date:2009-06-23
Last modified:2024-05-01
Method:SOLUTION NMR
Cite:The evolutionarily conserved family of cyanovirin-N homologs: structures and carbohydrate specificity.
Structure, 16, 2008
8QTY
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BU of 8qty by Molmil
LytR LCP domain from Streptococcus dysgalactiae subs. dysgalactiae
Descriptor: Biofilm regulatory protein, SULFATE ION
Authors:Paquete-Ferreira, J, Romao, M.J, Santos-Silva, T.
Deposit date:2023-10-13
Release date:2024-09-04
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Structural insights of an LCP protein-LytR-from Streptococcus dysgalactiae subs. dysgalactiae through biophysical and in silico methods.
Front Chem, 12, 2024
2KI9
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BU of 2ki9 by Molmil
Human cannabinoid receptor-2 helix 6
Descriptor: Cannabinoid receptor 2
Authors:Deshmukh, L, Vinogradova, O, Tiburu, E.K, Tyukhtenko, S, Janero, D.R, Makriyannis, A.
Deposit date:2009-04-28
Release date:2009-05-12
Last modified:2024-05-22
Method:SOLUTION NMR
Cite:Structural biology of human cannabinoid receptor-2 helix 6 in membrane-mimetic environments.
Biochem.Biophys.Res.Commun., 384, 2009
7S13
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BU of 7s13 by Molmil
Crystal structure of Fab in complex with mouse CD96 dimer
Descriptor: 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, CITRATE ANION, ...
Authors:Lee, P.S, Barman, I, Strop, P.
Deposit date:2021-08-31
Release date:2021-10-20
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.12 Å)
Cite:Antibody blockade of CD96 by distinct molecular mechanisms.
Mabs, 13, 2021
3KCK
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BU of 3kck by Molmil
A Novel Chemotype of Kinase Inhibitors
Descriptor: 3-chloro-4-(4H-3,4,7-triazadibenzo[cd,f]azulen-6-yl)phenol, Tyrosine-protein kinase JAK2
Authors:Zuccola, H.J, Wang, T, Ledeboer, M.W.
Deposit date:2009-10-21
Release date:2009-11-24
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:A novel chemotype of kinase inhibitors: Discovery of 3,4-ring fused 7-azaindoles and deazapurines as potent JAK2 inhibitors.
Bioorg.Med.Chem.Lett., 20, 2010
7S11
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BU of 7s11 by Molmil
Crystal structure of Fab in complex with mouse CD96 monomer
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Fab heavy chain, Fab light chain, ...
Authors:Lee, P.S, Chau, B, Strop, P.
Deposit date:2021-08-31
Release date:2021-11-03
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.58 Å)
Cite:Antibody blockade of CD96 by distinct molecular mechanisms.
Mabs, 13, 2021
6W2Y
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BU of 6w2y by Molmil
CryoEM Structure of GABAB1b Homodimer
Descriptor: (1S)-2-{[(S)-(2-aminoethoxy)(hydroxy)phosphoryl]oxy}-1-[(octadecanoyloxy)methyl]ethyl (9Z)-octadec-9-enoate, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Papasergi-Scott, M.M, Robertson, M.J, Skiniotis, G.
Deposit date:2020-03-08
Release date:2020-07-01
Last modified:2020-08-26
Method:ELECTRON MICROSCOPY (3.2 Å)
Cite:Structures of metabotropic GABABreceptor.
Nature, 584, 2020
3KM5
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BU of 3km5 by Molmil
Crystal Structure Analysis of the K2 Cleaved Adhesin Domain of Lys-gingipain (Kgp)
Descriptor: CALCIUM ION, GLYCEROL, Lysine specific cysteine protease, ...
Authors:Li, N, Collyer, C.A, Hunter, N.
Deposit date:2009-11-09
Release date:2010-03-31
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (1.4 Å)
Cite:Structure determination and analysis of a haemolytic gingipain adhesin domain from Porphyromonas gingivalis
Mol.Microbiol., 76, 2010
3KMG
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BU of 3kmg by Molmil
The X-ray Crystal Structure of PPAR-gamma in Complex with an Indole Derivative Modulator, GSK538, and an SRC-1 Peptide
Descriptor: 4'-[(2,3-dimethyl-5-{[(1S)-1-phenylpropyl]carbamoyl}-1H-indol-1-yl)methyl]biphenyl-2-carboxylic acid, Peroxisome proliferator-activated receptor gamma, Steroid Receptor Coactivator-1
Authors:Gampe, R.
Deposit date:2009-11-10
Release date:2010-01-12
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Synthesis and biological activities of novel indole derivatives as potent and selective PPAR-gamma modulators
TO BE PUBLISHED
6W3N
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BU of 6w3n by Molmil
APE1 exonuclease substrate complex D148E
Descriptor: 1,2-ETHANEDIOL, CALCIUM ION, DNA (5'-D(*GP*CP*TP*GP*AP*TP*GP*CP*GP*(C7R))-3'), ...
Authors:Freudenthal, B.D, Whitaker, A.M.
Deposit date:2020-03-09
Release date:2020-06-10
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.69 Å)
Cite:Molecular and structural characterization of disease-associated APE1 polymorphisms.
DNA Repair (Amst.), 91-92, 2020
3KVQ
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BU of 3kvq by Molmil
Crystal structure of VEGFR2 extracellular domain D7
Descriptor: Vascular endothelial growth factor receptor 2
Authors:Yang, Y, Opatowsky, Y, Xie, P, Schlessinger, J.
Deposit date:2009-11-30
Release date:2010-02-16
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Direct contacts between extracellular membrane-proximal domains are required for VEGF receptor activation and cell signaling
Proc.Natl.Acad.Sci.USA, 107, 2010
6PNP
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BU of 6pnp by Molmil
Crystal structure of the splice insert-free neurexin-1 LNS2 domain in complex with neurexophilin-1
Descriptor: Neurexin-1, Neurexophilin-1
Authors:Wilson, S.C, White, K.I, Zhou, Q, Brunger, A.T.
Deposit date:2019-07-02
Release date:2019-10-09
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.94 Å)
Cite:Structures of neurexophilin-neurexin complexes reveal a regulatory mechanism of alternative splicing.
Embo J., 38, 2019
7S2S
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BU of 7s2s by Molmil
nanobody bound to Interleukin-2Rbeta
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, IL2Rb-binding nanobody, Interleukin-2 receptor subunit beta, ...
Authors:Glassman, C.R, Jude, K.M, Yen, M, Garcia, K.C.
Deposit date:2021-09-03
Release date:2022-03-30
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.93 Å)
Cite:Facile discovery of surrogate cytokine agonists.
Cell, 185, 2022
7S2R
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BU of 7s2r by Molmil
nanobody bound to IL-2Rg
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Cytokine receptor common subunit gamma, ...
Authors:Glassman, C.R, Jude, K.M, Yen, M, Garcia, K.C.
Deposit date:2021-09-03
Release date:2022-03-30
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.49 Å)
Cite:Facile discovery of surrogate cytokine agonists.
Cell, 185, 2022
2L68
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BU of 2l68 by Molmil
Solution Structure of Human Holo L-FABP
Descriptor: Fatty acid-binding protein, liver
Authors:Cai, J, Luecke, C, Chen, Z, Qiao, Y, Klimtchuk, E.S, Hamilton, J.A.
Deposit date:2010-11-17
Release date:2011-11-23
Last modified:2024-05-01
Method:SOLUTION NMR
Cite:Solution structure and backbone dynamics of human liver fatty acid binding protein: fatty acid binding revisited.
Biophys.J., 102, 2012
7S8V
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BU of 7s8v by Molmil
Leg region of a complex of IGF-I with the ectodomain of a hybrid insulin receptor / type 1 insulin-like growth factor receptor
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Insulin receptor, ...
Authors:Xu, Y, Lawrence, M.C.
Deposit date:2021-09-20
Release date:2022-07-06
Last modified:2022-08-17
Method:ELECTRON MICROSCOPY (3.73 Å)
Cite:How insulin-like growth factor I binds to a hybrid insulin receptor type 1 insulin-like growth factor receptor.
Structure, 30, 2022
7S0Q
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BU of 7s0q by Molmil
Head region of a complex of IGF-I with the ectodomain of a hybrid insulin receptor / type 1 insulin-like growth factor receptor
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Insulin receptor, ...
Authors:Xu, Y, Lawrence, M.C.
Deposit date:2021-08-30
Release date:2022-07-06
Last modified:2022-08-17
Method:ELECTRON MICROSCOPY (3.7 Å)
Cite:How insulin-like growth factor I binds to a hybrid insulin receptor type 1 insulin-like growth factor receptor.
Structure, 30, 2022
2L67
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BU of 2l67 by Molmil
Solution Structure of Human Apo L-FABP
Descriptor: Fatty acid-binding protein, liver
Authors:Cai, J, Luecke, C, Chen, Z, Qiao, Y, Klimtchuk, E.S, Hamilton, J.A.
Deposit date:2010-11-17
Release date:2011-11-23
Last modified:2024-05-01
Method:SOLUTION NMR
Cite:Solution structure and backbone dynamics of human liver fatty acid binding protein: fatty acid binding revisited.
Biophys.J., 102, 2012
4DDR
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BU of 4ddr by Molmil
Human dihydrofolate reductase complexed with NADPH and P218
Descriptor: 3-(2-{3-[(2,4-diamino-6-ethylpyrimidin-5-yl)oxy]propoxy}phenyl)propanoic acid, Dihydrofolate reductase, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE
Authors:Yuthavong, Y, Tarnchompoo, B, Vilaivan, T, Chitnumsub, P, Kamchonwongpaisan, S, Charman, S.A, McLennan, D.N, White, K.L, Vivas, L, Bongard, E, Thongphanchang, C, Taweechai, S, Vanichtanankul, J, Rattanajak, R, Arwon, U, Fantauzzi, P, Yuvaniyama, J, Charman, W.N, Matthews, D.
Deposit date:2012-01-19
Release date:2012-11-14
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.05 Å)
Cite:Malarial dihydrofolate reductase as a paradigm for drug development against a resistance-compromised target
Proc.Natl.Acad.Sci.USA, 109, 2012
6WGO
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BU of 6wgo by Molmil
The interaction of dichlorido(3-(anthracen-9-ylmethyl)-1-methylimidazol-2-ylidene)(eta6-p-cymene)ruthenium(II) with HEWL after 1 week
Descriptor: ACETATE ION, Lysozyme, SODIUM ION, ...
Authors:Sullivan, M.P, Hartinger, C.G, Goldstone, D.C.
Deposit date:2020-04-06
Release date:2021-10-06
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.3 Å)
Cite:Anthracenyl Functionalization of Half-Sandwich Carbene Complexes: In Vitro Anticancer Activity and Reactions with Biomolecules.
Inorg.Chem., 60, 2021
8U1W
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BU of 8u1w by Molmil
Structure of Norovirus (Hu/GII.4/Sydney/NSW0514/2012/AU) protease bound to inhibitor NV-004
Descriptor: ACETATE ION, GLYCEROL, Peptidase C37, ...
Authors:Eruera, A.R, Campbell, A.C, Krause, K.L.
Deposit date:2023-09-03
Release date:2023-12-20
Method:X-RAY DIFFRACTION (1.84 Å)
Cite:Crystal Structure of Inhibitor-Bound GII.4 Sydney 2012 Norovirus 3C-Like Protease.
Viruses, 15, 2023
3N9J
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BU of 3n9j by Molmil
Structure of human Glutathione Transferase Pi class in complex with Ethacraplatin
Descriptor: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CALCIUM ION, CHLORIDE ION, ...
Authors:Parker, L.J, Parker, M.W.
Deposit date:2010-05-30
Release date:2011-05-11
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Studies of glutathione transferase P1-1 bound to a platinum(IV)-based anticancer compound reveal the molecular basis of its activation.
To be Published
6XA1
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BU of 6xa1 by Molmil
Structure of a drug-like compound stalled human translation termination complex
Descriptor: 18S rRNA, 28S rRNA, 40S ribosomal protein S10, ...
Authors:Li, W, Cate, J.
Deposit date:2020-06-03
Release date:2020-10-07
Last modified:2020-10-14
Method:ELECTRON MICROSCOPY (2.8 Å)
Cite:Selective inhibition of human translation termination by a drug-like compound.
Nat Commun, 11, 2020
1TOQ
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BU of 1toq by Molmil
CRYSTAL STRUCTURE OF A GALACTOSE SPECIFIC LECTIN FROM ARTOCARPUS HIRSUTA IN COMPLEX WITH METHYL-a-D-GALACTOSE
Descriptor: AGGLUTININ ALPHA CHAIN, AGGLUTININ BETA CHAIN, methyl alpha-D-galactopyranoside
Authors:Rao, K.N, Suresh, C.G, Katre, U.V, Gaikwad, S.M, Khan, M.I.
Deposit date:2004-06-15
Release date:2004-08-03
Last modified:2023-08-23
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Two orthorhombic crystal structures of a galactose-specific lectin from Artocarpus hirsuta in complex with methyl-alpha-D-galactose.
Acta Crystallogr.,Sect.D, 60, 2004
6MES
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BU of 6mes by Molmil
Trypanosoma brucei methionyl-tRNA synthetase in complex with inhibitor (Chem 1907)
Descriptor: 1-[(1H-benzimidazol-2-yl)methyl]-4-[(2,4-dichlorophenyl)methyl]-1,3-dihydro-2H-imidazol-2-one, GLYCEROL, METHIONINE, ...
Authors:Barros-Alvarez, X, Hol, W.G.J.
Deposit date:2018-09-07
Release date:2019-09-18
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:Structure-guided discovery of selective methionyl-tRNA synthetase inhibitors with potent activity against Trypanosoma brucei
Rsc Med Chem, 2020

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PDB entries from 2024-09-18

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