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7NK4
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BU of 7nk4 by Molmil
1918 H1N1 Viral influenza polymerase heterotrimer with Nb8203 core
Descriptor: Nanobody 8203, Polymerase acidic protein, Polymerase basic protein 2,Polymerase basic protein 2, ...
Authors:Keown, J.R, Carrique, L, Fodor, E, Grimes, J.M.
Deposit date:2021-02-17
Release date:2021-12-01
Last modified:2022-02-09
Method:ELECTRON MICROSCOPY (5.32 Å)
Cite:Mapping inhibitory sites on the RNA polymerase of the 1918 pandemic influenza virus using nanobodies.
Nat Commun, 13, 2022
3LCG
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BU of 3lcg by Molmil
The D-sialic acid aldolase mutant V251L
Descriptor: N-acetylneuraminate lyase, SULFATE ION
Authors:Chou, C.-Y, Wang, A.H.-J, Ko, T.-P.
Deposit date:2010-01-11
Release date:2011-01-19
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (1.78 Å)
Cite:Modulation of substrate specificities of D-sialic acid aldolase through single mutations of Val251
To be Published
5HBU
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BU of 5hbu by Molmil
Structure of the E. coli nucleoid occlusion protein SlmA bound to DNA and the C-terminal tail of the cytoskeletal cell division protein FtsZ
Descriptor: DNA (5'-D(*GP*TP*GP*AP*GP*TP*AP*CP*TP*CP*AP*C)-3'), FtsZ CTT peptide, Nucleoid occlusion factor SlmA
Authors:Schumacher, M.A, Zeng, W.
Deposit date:2016-01-02
Release date:2016-04-13
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Structures of the nucleoid occlusion protein SlmA bound to DNA and the C-terminal domain of the cytoskeletal protein FtsZ.
Proc.Natl.Acad.Sci.USA, 113, 2016
3LD8
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BU of 3ld8 by Molmil
Structure of JMJD6 and Fab Fragments
Descriptor: Bifunctional arginine demethylase and lysyl-hydroxylase JMJD6, FE (III) ION, GLYCEROL, ...
Authors:Hong, X, Zang, J, White, J, Kappler, J.W, Wang, C, Zhang, G.
Deposit date:2010-01-12
Release date:2010-08-04
Last modified:2012-06-20
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Interaction of JMJD6 with single-stranded RNA.
Proc.Natl.Acad.Sci.USA, 107, 2010
5HCO
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BU of 5hco by Molmil
Endothiapepsin in complex with hydrazide
Descriptor: 4-(dimethylamino)benzohydrazide, ACETATE ION, DIMETHYL SULFOXIDE, ...
Authors:Radeva, N, Heine, A, Klebe, G.
Deposit date:2016-01-04
Release date:2017-01-11
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.17 Å)
Cite:Crystallographic Fragment Screening of an Entire Library
To Be Published
6U4K
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BU of 6u4k by Molmil
Human talin2 residues 1-403
Descriptor: Talin-2
Authors:Izard, T, Rangarajan, E.S, Colgan, L, Yasuda, R, Chinthalapudi, K.
Deposit date:2019-08-26
Release date:2020-07-08
Last modified:2020-09-23
Method:X-RAY DIFFRACTION (2.555 Å)
Cite:A distinct talin2 structure directs isoform specificity in cell adhesion.
J.Biol.Chem., 295, 2020
3LCX
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BU of 3lcx by Molmil
L-KDO aldolase
Descriptor: N-acetylneuraminate lyase, SULFATE ION
Authors:Chou, C.-Y, Huang, K.-F, Wang, A.H.-J, Ko, T.-P.
Deposit date:2010-01-12
Release date:2011-01-19
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (1.98 Å)
Cite:Modulation of substrate specificities of D-sialic acid aldolase through single mutations of Val251
To be Published
7SIS
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BU of 7sis by Molmil
SARS-CoV-2 Spike-derived peptide S976-984 (VLNDILSRL) presented by HLA-A*02:01
Descriptor: ACETATE ION, Beta-2-microglobulin, CADMIUM ION, ...
Authors:Szeto, C, Gras, S.
Deposit date:2021-10-14
Release date:2022-11-23
Last modified:2024-05-15
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:The impact of SARS-CoV-2 spike mutation on peptide presentation is HLA allomorph-specific
Curr Res Struct Biol, 2024
5HCV
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BU of 5hcv by Molmil
Identification of Spirooxindole and Dibenzoxazepine Motifs as Potent Mineralocorticoid Receptor Antagonists
Descriptor: 6-[(~{E})-(3-fluoranyl-6~{H}-benzo[c][1]benzoxepin-11-ylidene)methyl]-4~{H}-1,4-benzoxazin-3-one, CHLORIDE ION, Mineralocorticoid receptor
Authors:Chen, G, McKeever, B.M.
Deposit date:2016-01-04
Release date:2016-03-09
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Identification of spirooxindole and dibenzoxazepine motifs as potent mineralocorticoid receptor antagonists.
Bioorg.Med.Chem., 24, 2016
3LDN
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BU of 3ldn by Molmil
Crystal structure of human GRP78 (70kDa heat shock protein 5 / BIP) ATPase domain in apo form
Descriptor: 78 kDa glucose-regulated protein
Authors:Dokurno, P, Surgenor, A.E, Shaw, T, Macias, A.T, Massey, A.J, Williamson, D.S.
Deposit date:2010-01-13
Release date:2011-01-26
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Adenosine-Derived Inhibitors of 78 kDa Glucose Regulated Protein (Grp78) ATPase: Insights into Isoform Selectivity.
J.Med.Chem., 54, 2011
7NK8
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BU of 7nk8 by Molmil
1918 H1N1 Viral influenza polymerase heterotrimer with Nb8205 core
Descriptor: Nb8205, Polymerase acidic protein, Polymerase basic protein 2,Polymerase basic protein 2, ...
Authors:Keown, J.R, Carrique, L, Fodor, E, Grimes, J.M.
Deposit date:2021-02-17
Release date:2021-12-01
Last modified:2024-07-10
Method:ELECTRON MICROSCOPY (5.34 Å)
Cite:Mapping inhibitory sites on the RNA polymerase of the 1918 pandemic influenza virus using nanobodies.
Nat Commun, 13, 2022
5HCY
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BU of 5hcy by Molmil
EGFR kinase domain mutant "TMLR" with 3-carboxamide azaindole compound 13
Descriptor: 6-[[2-(1-cyclopropylsulfonylpyrazol-4-yl)pyrimidin-4-yl]amino]-~{N}-(oxan-4-yl)-1-propan-2-yl-pyrrolo[3,2-c]pyridine-3-carboxamide, Epidermal growth factor receptor, SULFATE ION
Authors:Eigenbrot, C, Yu, C.
Deposit date:2016-01-04
Release date:2016-09-07
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (2.46 Å)
Cite:Discovery of a Noncovalent, Mutant-Selective Epidermal Growth Factor Receptor Inhibitor.
J.Med.Chem., 59, 2016
5HD7
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BU of 5hd7 by Molmil
Dissecting Therapeutic Resistance to ERK Inhibition Rat Mutant SCH772984 in complex with (3R)-1-(2-oxo-2-{4-[4-(pyrimidin-2-yl)phenyl]piperazin-1-yl}ethyl)-N-[3-(pyridin-4-yl)-2H-indazol-5-yl]pyrrolidine-3-carboxamide
Descriptor: (3R)-1-(2-oxo-2-{4-[4-(pyrimidin-2-yl)phenyl]piperazin-1-yl}ethyl)-N-[3-(pyridin-4-yl)-2H-indazol-5-yl]pyrrolidine-3-carboxamide, Mitogen-activated protein kinase 1, SULFATE ION
Authors:Jha, S, Morris, E.J, Hruza, A, Mansueto, M.S, Schroeder, G, Arbanas, J, McMasters, D, Restaino, C.R, Dayananth, R, Black, S, Elsen, N.L, Mannarino, A, Cooper, A, Fawell, S, Zawel, L, Jayaraman, L, Samatar, A.A.
Deposit date:2016-01-04
Release date:2016-02-24
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (1.69 Å)
Cite:Dissecting Therapeutic Resistance to ERK Inhibition.
Mol.Cancer Ther., 15, 2016
3LDQ
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BU of 3ldq by Molmil
Crystal structure of HSC70/BAG1 in complex with small molecule inhibitor
Descriptor: 8-[(quinolin-2-ylmethyl)amino]adenosine, BAG family molecular chaperone regulator 1, Heat shock cognate 71 kDa protein
Authors:Dokurno, P, Surgenor, A.E, Shaw, T, Macias, A.T, Massey, A.J, Williamson, D.S.
Deposit date:2010-01-13
Release date:2011-01-26
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Adenosine-Derived Inhibitors of 78 kDa Glucose Regulated Protein (Grp78) ATPase: Insights into Isoform Selectivity.
J.Med.Chem., 54, 2011
3LE5
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BU of 3le5 by Molmil
Crystal structure of HPr dimer from Thermoanaerobacter tengcongensis
Descriptor: Phosphotransferase system, HPr-related proteins
Authors:Fu, T.M, Su, X.D.
Deposit date:2010-01-14
Release date:2010-12-15
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (2 Å)
Cite:Dimerization of HPr by reversible domain swapping
To be Published
3LE2
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BU of 3le2 by Molmil
Structure of Arabidopsis AtSerpin1. Native Stressed Conformation
Descriptor: ACETATE ION, GLYCEROL, SULFATE ION, ...
Authors:Harrop, S.J, Joss, T.V, Cumi, P.M.G, Roberts, T.H.
Deposit date:2010-01-14
Release date:2010-02-23
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Arabidopsis AtSerpin1, crystal structure and in vivo interaction with its target protease RESPONSIVE TO DESICCATION-21 (RD21).
J.Biol.Chem., 285, 2010
5HNG
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BU of 5hng by Molmil
DISCOVERY OF NOVEL 7-AZAINDOLES AS PDK1 INHIBITORS
Descriptor: 3-phosphoinositide-dependent protein kinase 1, 6-methoxy-2-(1H-pyrazol-5-yl)-1H-benzimidazole, SULFATE ION
Authors:Wucherer-Plietker, M, Esdar, C, Knoechel, T, Hillertz, P, Heinrich, T, Buchstaller, H.P, Greiner, H, Dorsch, D, Calderini, M, Bruge, D, Mueller, T.J.J, Graedler, U.
Deposit date:2016-01-18
Release date:2016-06-08
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (3.01 Å)
Cite:Discovery of novel 7-azaindoles as PDK1 inhibitors.
Bioorg.Med.Chem.Lett., 26, 2016
5HNK
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BU of 5hnk by Molmil
Crystal structure of T5Fen in complex intact substrate and metal ions.
Descriptor: DNA (5'-D(*AP*AP*AP*AP*GP*CP*GP*TP*AP*CP*GP*C)-3'), Exodeoxyribonuclease, GLYCEROL, ...
Authors:Almalki, F.A, Feng, M, Zhang, J, Sedelnikova, S.E, Rafferty, J.B, Sayers, J.R, Artymiuk, P.J.
Deposit date:2016-01-18
Release date:2016-06-01
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.22 Å)
Cite:Direct observation of DNA threading in flap endonuclease complexes.
Nat.Struct.Mol.Biol., 23, 2016
5HPG
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BU of 5hpg by Molmil
STRUCTURE AND LIGAND DETERMINANTS OF THE RECOMBINANT KRINGLE 5 DOMAIN OF HUMAN PLASMINOGEN
Descriptor: PLASMINOGEN
Authors:Tulinsky, A, Mochalkin, I, Castellino, F.J.
Deposit date:1997-09-19
Release date:1998-03-25
Last modified:2023-08-09
Method:X-RAY DIFFRACTION (1.66 Å)
Cite:Structure and ligand binding determinants of the recombinant kringle 5 domain of human plasminogen.
Biochemistry, 37, 1998
3LER
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BU of 3ler by Molmil
Crystal Structure of Dihydrodipicolinate Synthase from Campylobacter jejuni subsp. jejuni NCTC 11168
Descriptor: 1,2-ETHANEDIOL, ACETIC ACID, DI(HYDROXYETHYL)ETHER, ...
Authors:Kim, Y, Zhou, M, Hasseman, J, Anderson, W.F, Joachimiak, A, Center for Structural Genomics of Infectious Diseases (CSGID)
Deposit date:2010-01-15
Release date:2010-01-26
Last modified:2018-05-30
Method:X-RAY DIFFRACTION (1.84 Å)
Cite:Crystal Structure of Dihydrodipicolinate Synthase from Campylobacter jejuni subsp. jejuni NCTC 11168
To be Published
5H5K
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BU of 5h5k by Molmil
ATP and CMP bound Crystal structure of thymidylate kinase (aq_969) from Aquifex Aeolicus VF5
Descriptor: 1,2-ETHANEDIOL, ADENOSINE-5'-TRIPHOSPHATE, CYTIDINE-5'-MONOPHOSPHATE, ...
Authors:Biswas, A, Jeyakanthan, J, Sekar, K.
Deposit date:2016-11-06
Release date:2017-06-28
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Structural studies of a hyperthermophilic thymidylate kinase enzyme reveal conformational substates along the reaction coordinate
FEBS J., 284, 2017
5H5X
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BU of 5h5x by Molmil
Crystal structure of NADH bound carbonyl reductase from Streptomyces coelicolor
Descriptor: 1,4-DIHYDRONICOTINAMIDE ADENINE DINUCLEOTIDE, ISOPROPYL ALCOHOL, MAGNESIUM ION, ...
Authors:Kong, X.-D, Xu, J.-H, Zhou, J.
Deposit date:2016-11-10
Release date:2017-05-10
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Crystal structure of NADH bound carbonyl reductase from Streptomyces coelicolor
To Be Published
3LES
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BU of 3les by Molmil
2F5 Epitope scaffold ES2
Descriptor: RNA polymerase sigma factor, SULFATE ION
Authors:Ofek, G, Guenaga, F.J, Schief, W.R, Skinner, J, Wyatt, R, Baker, D, Kwong, P.D.
Deposit date:2010-01-15
Release date:2010-09-29
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.77 Å)
Cite:Elicitation of structure-specific antibodies by epitope scaffolds.
Proc.Natl.Acad.Sci.USA, 107, 2010
3LFZ
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BU of 3lfz by Molmil
Crystal Structure of Protein MJ1225 from Methanocaldococcus jannaschii, a putative archaeal homolog of g-AMPK.
Descriptor: ADENOSINE MONOPHOSPHATE, ADENOSINE-5'-DIPHOSPHATE, ADENOSINE-5'-TRIPHOSPHATE, ...
Authors:Gomez-Garcia, I, Oyenarte, I, Kortazar, D, Martinez-Cruz, L.A.
Deposit date:2010-01-19
Release date:2010-04-21
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:The crystal structure of protein MJ1225 from Methanocaldococcus jannaschii shows strong conservation of key structural features seen in the eukaryal gamma-AMPK.
J.Mol.Biol., 65, 2010
5HDK
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BU of 5hdk by Molmil
Crystal structure of heat shock factor 2-DBD
Descriptor: CHLORIDE ION, Heat shock factor protein 2, POTASSIUM ION, ...
Authors:Feng, H, Liu, W, Wang, D.C.
Deposit date:2016-01-05
Release date:2017-01-11
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (1.32 Å)
Cite:HSF1-DBD crystal structure
To Be Published

224004

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