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6QXK
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BU of 6qxk by Molmil
Human PIM1 bound to OX0999
Descriptor: 2-[(1-methylpiperidin-4-yl)methylamino]-5-[[2-[4-(trifluoromethyloxy)phenyl]-1,3-thiazol-4-yl]methyl]-1,3-thiazol-4-one, Pimtide, Serine/threonine-protein kinase pim-1
Authors:Alexander, L.T, Elkins, J.M, Russell, A, Bountra, C, Edwards, A.M, Knapp, S.
Deposit date:2019-03-07
Release date:2019-04-24
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:PIM1 bound to OX0999
To Be Published
2G8V
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BU of 2g8v by Molmil
B. halodurans RNase H catalytic domain E188A mutant in complex with Mg2+ and RNA/DNA hybrid (reaction product)
Descriptor: 5'-D(*AP*TP*GP*TP*CP*G)-3', 5'-R(P*UP*CP*GP*AP*CP*A)-3', ETHANOL, ...
Authors:Nowotny, M, Yang, W.
Deposit date:2006-03-03
Release date:2006-04-25
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Stepwise analyses of metal ions in RNase H catalysis from substrate destabilization to product release.
Embo J., 25, 2006
6QNA
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BU of 6qna by Molmil
Structure of bovine anti-RSV hybrid Fab B13HC-B4LC
Descriptor: B13 Heavy chain, B4 light chain, GLYCEROL
Authors:Ren, J, Nettleship, J.E, Harris, G, Mwangi, W, Rhaman, N, Grant, C, Kotecha, A, Fry, E, Charleston, B, Stuart, D.I, Hammond, J, Owens, R.J.
Deposit date:2019-02-10
Release date:2019-05-29
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2.62 Å)
Cite:The role of the light chain in the structure and binding activity of two cattle antibodies that neutralize bovine respiratory syncytial virus.
Mol.Immunol., 112, 2019
6DMA
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BU of 6dma by Molmil
DHD15_closed
Descriptor: DHD15_closed_A, DHD15_closed_B
Authors:Bick, M.J, Chen, Z, Baker, D.
Deposit date:2018-06-04
Release date:2018-12-19
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (3.363 Å)
Cite:Programmable design of orthogonal protein heterodimers.
Nature, 565, 2019
6DBI
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BU of 6dbi by Molmil
Cryo-EM structure of RAG in complex with 12-RSS and 23-RSS nicked DNA intermediates
Descriptor: CALCIUM ION, Forward strand of 12-RSS signal end, Forward strand of 23-RSS signal end, ...
Authors:Wu, H, Liao, M, Ru, H, Mi, W.
Deposit date:2018-05-03
Release date:2018-08-01
Last modified:2024-03-13
Method:ELECTRON MICROSCOPY (3.4 Å)
Cite:DNA melting initiates the RAG catalytic pathway.
Nat. Struct. Mol. Biol., 25, 2018
6DC4
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BU of 6dc4 by Molmil
RSV-neutralizing human antibody AM22
Descriptor: 1,2-ETHANEDIOL, Fab AM22 Heavy Chain, Fab AM22 Light Chain
Authors:Jones, H.G, McLellan, J.S.
Deposit date:2018-05-04
Release date:2019-07-10
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Alternative conformations of a major antigenic site on RSV F.
Plos Pathog., 15, 2019
6QS8
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BU of 6qs8 by Molmil
ClpB (DWB and K476C mutant) bound to casein in presence of ATPgammaS - state KC-2B
Descriptor: ADENOSINE-5'-DIPHOSPHATE, Chaperone protein ClpB, MAGNESIUM ION, ...
Authors:Deville, C, Saibil, H.R.
Deposit date:2019-02-20
Release date:2019-07-03
Last modified:2024-05-15
Method:ELECTRON MICROSCOPY (3.9 Å)
Cite:Two-Step Activation Mechanism of the ClpB Disaggregase for Sequential Substrate Threading by the Main ATPase Motor.
Cell Rep, 27, 2019
4OZ6
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BU of 4oz6 by Molmil
Structure of the Branched Intermediate in Protein Splicing
Descriptor: ALA-MET-ARG-TYR, MAGNESIUM ION, Mxe gyrA intein
Authors:Bick, M.J, Liu, Z, Frutos, S, Vila-Perello, M, Debelouchina, G.T, Darst, S.A, Muir, T.W.
Deposit date:2014-02-14
Release date:2014-05-14
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.786 Å)
Cite:Structure of the branched intermediate in protein splicing.
Proc.Natl.Acad.Sci.USA, 111, 2014
2G2R
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BU of 2g2r by Molmil
Green-fluorescent antibody 11G10 in complex with its hapten (nitro-stilbene derivative)
Descriptor: Green-fluorescent antibody (11G10)-heavy chain, Green-fluorescent antibody (11G10)-light chain, N-(TRANS-4'-NITRO-4-STILBENYL)-N-METHYL-5-AMINO-PENTANOIC ACID, ...
Authors:Debler, E.W, Wilson, I.A.
Deposit date:2006-02-16
Release date:2006-12-05
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2.75 Å)
Cite:The Effects of Antibodies on Stilbene Excited-State Energetics.
Angew.Chem.Int.Ed.Engl., 45, 2006
6DF9
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BU of 6df9 by Molmil
Kaiso (ZBTB33) E535Q zinc finger DNA binding domain in complex with the specific Kaiso binding sequence (KBS)
Descriptor: CHLORIDE ION, DNA (5'-D(*CP*GP*TP*TP*AP*TP*TP*GP*GP*CP*AP*GP*GP*AP*AP*GP*CP*A)-3'), DNA (5'-D(*TP*GP*CP*TP*TP*CP*CP*TP*GP*CP*CP*AP*AP*TP*AP*AP*CP*G)-3'), ...
Authors:Nikolova, E.N, Stanfield, R.L, Dyson, H.J, Wright, P.E.
Deposit date:2018-05-14
Release date:2019-05-22
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.319 Å)
Cite:A conformational switch in the zinc finger protein Kaiso mediates differential readout of specific and methylated DNA sequences.
Biochemistry, 2020
6QN9
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BU of 6qn9 by Molmil
Structure of bovine anti-RSV Fab B4
Descriptor: GLYCEROL, Heavy chain, SULFATE ION, ...
Authors:Ren, J, Nettleship, J.E, Harris, G, Mwangi, W, Rhaman, N, Grant, C, Kotecha, A, Fry, E, Charleston, B, Stuart, D.I, Hammond, J, Owens, R.J.
Deposit date:2019-02-10
Release date:2019-05-29
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.89 Å)
Cite:The role of the light chain in the structure and binding activity of two cattle antibodies that neutralize bovine respiratory syncytial virus.
Mol.Immunol., 112, 2019
4P0L
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BU of 4p0l by Molmil
Crystal Structure of Double Loop-Swapped Interleukin-36Ra With Additional Point Mutations
Descriptor: Interleukin-36 receptor antagonist/Interleukin-36 gamma chimera protein
Authors:Guenther, S, Sundberg, E.J.
Deposit date:2014-02-21
Release date:2014-06-25
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.55 Å)
Cite:Molecular Determinants of Agonist and Antagonist Signaling through the IL-36 Receptor.
J Immunol., 193, 2014
2G5X
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BU of 2g5x by Molmil
Crystal structure of lychnin a type 1 Ribosome Inactivating Protein (RIP)
Descriptor: Ribosome-inactivating protein
Authors:Fermani, S, Falini, G, Tosi, G, Ripamonti, A, Polito, L, Bolognesi, A, Stirpe, F.
Deposit date:2006-02-23
Release date:2007-03-06
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Crystal structure of lychnin a type 1 Ribosome Inactivating Protein (RIP)
To be Published
7YCN
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BU of 7ycn by Molmil
Crystal structure of SARS-CoV-2 Spike RBD in complex with IY-2A Fab
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, IY-2A Fab heavy chain, IY-2A Fab light chain, ...
Authors:Mohapatra, A, Chen, X.
Deposit date:2022-07-01
Release date:2023-02-01
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.85 Å)
Cite:Structural basis for a conserved neutralization epitope on the receptor-binding domain of SARS-CoV-2.
Nat Commun, 14, 2023
2G6Q
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BU of 2g6q by Molmil
Crystal structure of ING2 PHD finger in complex with H3K4Me3 peptide
Descriptor: H3K4Me3 peptide, Inhibitor of growth protein 2, ZINC ION
Authors:Pena, P.V, Zhao, R, Kutateladze, T.G.
Deposit date:2006-02-24
Release date:2006-07-11
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2 Å)
Cite:Molecular mechanism of histone H3K4me3 recognition by plant homeodomain of ING2.
Nature, 442, 2006
3UH2
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BU of 3uh2 by Molmil
Tankyrase-1 in complexed with PJ34
Descriptor: N~2~,N~2~-DIMETHYL-N~1~-(6-OXO-5,6-DIHYDROPHENANTHRIDIN-2-YL)GLYCINAMIDE, SULFATE ION, Tankyrase-1, ...
Authors:Kirby, C.A, Stams, T.
Deposit date:2011-11-03
Release date:2012-02-15
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (2 Å)
Cite:Structure of human tankyrase 1 in complex with small-molecule inhibitors PJ34 and XAV939.
Acta Crystallogr.,Sect.F, 68, 2012
6QOZ
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BU of 6qoz by Molmil
CryoEM reconstruction of Cowpea Mosaic Virus (CPMV) bound to an Affimer reagent
Descriptor: Affimer binding protein, Cowpea mosaic virus large subunit, RNA2 polyprotein
Authors:Hesketh, E.L, Tiede, C, Adamson, H, Adams, T.L, Byrne, M.J, Meshcheriakova, Y, Lomonossoff, G.P, Kruse, I, McPherson, M.J, Tomlinson, D.C, Ranson, N.A.
Deposit date:2019-02-13
Release date:2019-12-18
Last modified:2024-05-15
Method:ELECTRON MICROSCOPY (3.4 Å)
Cite:Affimer reagents as tools in diagnosing plant virus diseases.
Sci Rep, 9, 2019
2G8K
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BU of 2g8k by Molmil
B. halodurans RNase H catalytic domain D192N mutant in complex with Ca2+ and RNA/DNA hybrid (non-P nick at the active site)
Descriptor: 5'-D(*AP*TP*GP*TP*CP*G)-3', 5'-R(*UP*CP*GP*AP*CP*A)-3', CALCIUM ION, ...
Authors:Nowotny, M, Yang, W.
Deposit date:2006-03-02
Release date:2006-04-25
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (1.65 Å)
Cite:Stepwise analyses of metal ions in RNase H catalysis from substrate destabilization to product release.
Embo J., 25, 2006
4OZ0
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BU of 4oz0 by Molmil
Crystal structure of human CAPERalpha U2AF homology motif (apo-state)
Descriptor: CHLORIDE ION, RNA-binding protein 39
Authors:Loerch, S, Kielkopf, C.L.
Deposit date:2014-02-13
Release date:2014-05-14
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Cancer-relevant splicing factor CAPER alpha engages the essential splicing factor SF3b155 in a specific ternary complex.
J.Biol.Chem., 289, 2014
2G3Z
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BU of 2g3z by Molmil
Crystal structure of Transthyretin mutant I84A at low pH
Descriptor: Transthyretin
Authors:Pasquato, N, Folli, C, Berni, R, Zanotti, G.
Deposit date:2006-02-21
Release date:2007-01-16
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Acidic pH-induced conformational changes in amyloidogenic mutant transthyretin.
J.Mol.Biol., 366, 2007
2G99
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BU of 2g99 by Molmil
Structural basis for the specific recognition of methylated histone H3 lysine 4 by the WD-40 protein WDR5
Descriptor: Histone H3, WD-repeat protein 5
Authors:Chai, J, Han, Z, Wang, H, Shen, Y.
Deposit date:2006-03-06
Release date:2006-09-06
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Structural basis for the specific recognition of methylated histone H3 lysine 4 by the WD-40 protein WDR5
To be published
6DKV
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BU of 6dkv by Molmil
Directed evolutionary changes in Kemp Eliminase KE07 - Crystal 21 round 5
Descriptor: 5-nitro-2-oxidanyl-benzenecarbonitrile, DI(HYDROXYETHYL)ETHER, Kemp eliminase KE07
Authors:Jackson, C.J, Hong, N.-S, Carr, P.D.
Deposit date:2018-05-30
Release date:2018-08-01
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.89 Å)
Cite:The evolution of multiple active site configurations in a designed enzyme.
Nat Commun, 9, 2018
2G5U
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BU of 2g5u by Molmil
Human Transthyretin (TTR) Complexed with Hydroxylated polychlorinated Biphenyl-4,4'-dihydroxy-3,3',5,5'-tetrachlorobiphenyl
Descriptor: 3,5,3',5'-TETRACHLORO-BIPHENYL-4,4'-DIOL, Transthyretin
Authors:Palaninathan, S.K, Smith, C, Safe, S.H, Kelly, J.W, Sacchettini, J.C.
Deposit date:2006-02-23
Release date:2006-03-07
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Hydroxylated polychlorinated biphenyls selectively bind transthyretin in blood and inhibit amyloidogenesis: rationalizing rodent PCB toxicity
Chem.Biol., 11, 2004
6DL0
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BU of 6dl0 by Molmil
Crystal structure of pohlianin C, an orbitide from Jatropha pohliana
Descriptor: pohlianin C
Authors:Wang, C.K, King, G.J, Ramalho, S.D.
Deposit date:2018-05-31
Release date:2018-11-07
Last modified:2023-07-26
Method:X-RAY DIFFRACTION (1.2 Å)
Cite:Synthesis, Racemic X-ray Crystallographic, and Permeability Studies of Bioactive Orbitides from Jatropha Species.
J. Nat. Prod., 81, 2018
4OZZ
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BU of 4ozz by Molmil
Crystal Structure of the periplasmic alginate epimerase AlgG T265N T268M double mutant
Descriptor: Poly(beta-D-mannuronate) C5 epimerase
Authors:Howell, P.L, Wolfram, F, Robinson, H.
Deposit date:2014-02-19
Release date:2015-03-04
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:Crystal Structure of the periplasmic alginate epimerase AlgG T265N T268M double mutant
To be published

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