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7H4Z
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BU of 7h4z by Molmil
Group deposition for crystallographic fragment screening of Coxsackievirus A16 (G-10) 2A protease -- Crystal structure of Coxsackievirus A16 (G-10) 2A protease in complex with Z1213725191 (A71EV2A-x1148)
Descriptor: 4-bromo-1H-imidazole, DIMETHYL SULFOXIDE, Protease 2A, ...
Authors:Lithgo, R.M, Fairhead, M, Koekemoer, L, Balcomb, B.H, Capkin, E, Chandran, A.V, Golding, M, Godoy, A.S, Aschenbrenner, J.C, Marples, P.G, Ni, X, Thompson, W, Tomlinson, C.W.E, Wild, C, Winokan, M, Xavier, M.-A.E, Fearon, D, von Delft, F.
Deposit date:2024-04-04
Release date:2024-04-24
Method:X-RAY DIFFRACTION (1.71 Å)
Cite:Group deposition for crystallographic fragment screening of Coxsackievirus A16 (G-10) 2A protease
To Be Published
7H51
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BU of 7h51 by Molmil
Group deposition for crystallographic fragment screening of Coxsackievirus A16 (G-10) 2A protease -- Crystal structure of Coxsackievirus A16 (G-10) 2A protease in complex with Z1198183601 (A71EV2A-x1180)
Descriptor: 5-chloro-1H-imidazole, DIMETHYL SULFOXIDE, GLYCEROL, ...
Authors:Lithgo, R.M, Fairhead, M, Koekemoer, L, Balcomb, B.H, Capkin, E, Chandran, A.V, Golding, M, Godoy, A.S, Aschenbrenner, J.C, Marples, P.G, Ni, X, Thompson, W, Tomlinson, C.W.E, Wild, C, Winokan, M, Xavier, M.-A.E, Fearon, D, von Delft, F.
Deposit date:2024-04-04
Release date:2024-04-24
Method:X-RAY DIFFRACTION (1.05 Å)
Cite:Group deposition for crystallographic fragment screening of Coxsackievirus A16 (G-10) 2A protease
To Be Published
7H52
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BU of 7h52 by Molmil
Group deposition for crystallographic fragment screening of Coxsackievirus A16 (G-10) 2A protease -- Crystal structure of Coxsackievirus A16 (G-10) 2A protease in complex with Z1203730981 (A71EV2A-x1209)
Descriptor: 2-bromo-1H-imidazole, DIMETHYL SULFOXIDE, Protease 2A, ...
Authors:Lithgo, R.M, Fairhead, M, Koekemoer, L, Balcomb, B.H, Capkin, E, Chandran, A.V, Golding, M, Godoy, A.S, Aschenbrenner, J.C, Marples, P.G, Ni, X, Thompson, W, Tomlinson, C.W.E, Wild, C, Winokan, M, Xavier, M.-A.E, Fearon, D, von Delft, F.
Deposit date:2024-04-04
Release date:2024-04-24
Method:X-RAY DIFFRACTION (1.21 Å)
Cite:Group deposition for crystallographic fragment screening of Coxsackievirus A16 (G-10) 2A protease
To Be Published
8YYN
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BU of 8yyn by Molmil
Crystal structure of TsaGH11 complexed with beta-D-xylopyranose (Data I)
Descriptor: ACETATE ION, Endo-1,4-beta-xylanase, beta-D-xylopyranose
Authors:Nam, K.H.
Deposit date:2024-04-04
Release date:2024-04-17
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Crystal structure of TsaGH11 complexed with beta-D-xylopyranose (Data I)
To Be Published
8YYO
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BU of 8yyo by Molmil
Crystal structure of TsaGH11 complexed with beta-D-xylopyranose (Data II)
Descriptor: ACETATE ION, Endo-1,4-beta-xylanase, beta-D-xylopyranose
Authors:Nam, K.H.
Deposit date:2024-04-04
Release date:2024-04-17
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Crystal structure of TsaGH11 complexed with beta-D-xylopyranose (Data II)
To Be Published
9B8E
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BU of 9b8e by Molmil
Structure of S-nitrosylated Legionella pneumophila Ceg10.
Descriptor: 1,2-ETHANEDIOL, ACETATE ION, CHLORIDE ION, ...
Authors:Tomchick, D.R, Heisler, D.B, Alto, N.M.
Deposit date:2024-03-29
Release date:2024-04-10
Method:X-RAY DIFFRACTION (1.4 Å)
Cite:Exploiting Bacterial Effector Proteins to Uncover Evolutionarily Conserved Antiviral Host Machinery
To Be Published
8YTQ
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BU of 8ytq by Molmil
The structure of apoCopC from Thioalkalivibrio paradoxus
Descriptor: ACETATE ION, COPPER (II) ION, CopC domain-containing protein, ...
Authors:Kulikova, O.G, Solovieva, A.Y, Varfolomeeva, L.A, Dergousova, N.I, Boyko, K.M, Tikhonova, T.V, Popov, V.O.
Deposit date:2024-03-26
Release date:2024-04-24
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:The structure of apoCopC from Thioalkalivibrio paradoxus
To Be Published
8YTI
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BU of 8yti by Molmil
Crystal Structure of Nucleosome-H1x Linker Histone Assembly (sticky-169a DNA fragment)
Descriptor: CALCIUM ION, CHLORIDE ION, DNA (169-MER), ...
Authors:Adhireksan, Z, Qiuye, B, Padavattan, S, Davey, C.A.
Deposit date:2024-03-26
Release date:2024-04-03
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Linker Histones Associate Heterogeneously with Nucleosomes in the Condensed State
To Be Published
8YRU
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BU of 8yru by Molmil
Crystal structure of D-amino acid transaminase from Haliscomenobacter hydrossis (apo form) after 15 sec of soaking with phenylhydrazine
Descriptor: ACETATE ION, Aminotransferase class IV, [6-methyl-5-oxidanyl-4-[(2-phenylhydrazinyl)methyl]pyridin-3-yl]methyl dihydrogen phosphate
Authors:Matyuta, I.O, Bakunova, A.K, Minyaev, M.E, Popov, V.O, Boyko, K.M.
Deposit date:2024-03-21
Release date:2024-04-17
Method:X-RAY DIFFRACTION (2 Å)
Cite:Crystal structure of D-amino acid transaminase from Haliscomenobacter hydrossis (apo form) after 15 sec of soaking with phenylhydrazine
To Be Published
9AY7
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BU of 9ay7 by Molmil
Crystal structure of CRAF/MEK1 complex with NST-628 and inactive RAF
Descriptor: 1,2-ETHANEDIOL, ACETATE ION, Dual specificity mitogen-activated protein kinase kinase 1, ...
Authors:Quade, B, Huang, X.
Deposit date:2024-03-07
Release date:2024-04-17
Method:X-RAY DIFFRACTION (2.41 Å)
Cite:The pan-RAF-MEK non degrading molecular glue NST-628 is a potent and brain penetrant inhibitor of the RAS-MAPK pathway with activity across diverse RAS- and RAF-driven cancers.
Cancer Discov, 2024
8YJM
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BU of 8yjm by Molmil
Structure of human SPT16 MD-CTD and MCM2 HBD chaperoning a histone H3-H4 tetramer and a single chain H2B-H2A chimera
Descriptor: DNA replication licensing factor MCM2, FACT complex subunit SPT16, Histone H2B 1/2/3/4/6,Histone H2A type 1-D, ...
Authors:Gan, S.L, Yang, W.S, Xu, R.M.
Deposit date:2024-03-02
Release date:2024-03-20
Last modified:2024-03-27
Method:X-RAY DIFFRACTION (4.15 Å)
Cite:Structure of a histone hexamer bound by the chaperone domains of SPT16 and MCM2.
Sci China Life Sci, 2024
8YJF
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BU of 8yjf by Molmil
Structure of human SPT16 MD-CTD and MCM2 HBD chaperoning a histone H3-H4 tetramer and an H2A-H2B dimer
Descriptor: DNA replication licensing factor MCM2, FACT complex subunit SPT16, Histone H2A type 1-D, ...
Authors:Gan, S.L, Yang, W.S, Xu, R.M.
Deposit date:2024-03-01
Release date:2024-03-20
Last modified:2024-03-27
Method:X-RAY DIFFRACTION (4.4 Å)
Cite:Structure of a histone hexamer bound by the chaperone domains of SPT16 and MCM2.
Sci China Life Sci, 2024
8YHL
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BU of 8yhl by Molmil
The Crystal Structure of Tgf-Beta Type I Receptor (Alk5) from Biortus
Descriptor: 1,2-ETHANEDIOL, 2-fluoranyl-~{N}-[[5-(6-methylpyridin-2-yl)-4-([1,2,4]triazolo[1,5-a]pyridin-6-yl)-1~{H}-imidazol-2-yl]methyl]aniline, ACETATE ION, ...
Authors:Wang, F, Cheng, W, Lv, Z, Meng, Q, Xu, Y.
Deposit date:2024-02-28
Release date:2024-03-13
Method:X-RAY DIFFRACTION (1.47 Å)
Cite:The Crystal Structure of Tgf-Beta Type I Receptor (Alk5) from Biortus
To Be Published
8W00
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BU of 8w00 by Molmil
Q108K:K40L:T51V:T53S:Y19W:R58W:L117E mutant of hCRBPII bound to synthetic fluorophore TD-1V
Descriptor: (2E)-3-{5-[4-(dimethylamino)phenyl]thiophen-2-yl}but-2-enal, ACETATE ION, Retinol-binding protein 2
Authors:Nossoni, Z, Bingham, C.R, Geiger, J.H.
Deposit date:2024-02-13
Release date:2024-04-03
Method:X-RAY DIFFRACTION (1.23 Å)
Cite:Regulation of Emission via a Protein-Bound Fluorophore
To Be Published
8VZZ
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BU of 8vzz by Molmil
Q108K:K40L:T51V:T53S:Y19W:R58W mutant of hCRBPII bound to synthetic fluorophore TD-1V
Descriptor: (2E)-3-{5-[4-(dimethylamino)phenyl]thiophen-2-yl}but-2-enal, ACETATE ION, Retinol-binding protein 2
Authors:Nosssoni, Z, Bingham, C.R, Geiger, J.H, Borhan, B.
Deposit date:2024-02-13
Release date:2024-04-03
Method:X-RAY DIFFRACTION (1.22 Å)
Cite:Regulation of Emission via a Protein-Bound Fluorophore
To Be Published
8VZX
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BU of 8vzx by Molmil
Q108K:K40L:T53A:R58F mutant of hCRBPII bound to synthetic fluorophore TD-1V
Descriptor: (2E)-3-{5-[4-(dimethylamino)phenyl]thiophen-2-yl}but-2-enal, ACETATE ION, Retinol-binding protein 2
Authors:Nossoni, Z, Bingham, C.R, Geiger, J.H.
Deposit date:2024-02-13
Release date:2024-04-03
Method:X-RAY DIFFRACTION (1.47 Å)
Cite:Regulation of Emission via a Protein-Bound Fluorophore
To Be Published
8VZY
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BU of 8vzy by Molmil
Q108K:K40L:T51V:T53S:R58Y mutant of hCRBPII bound to synthetic fluorophore TD-1V
Descriptor: (2E)-3-{5-[4-(dimethylamino)phenyl]thiophen-2-yl}but-2-enal, ACETATE ION, Retinol-binding protein 2
Authors:Nossoni, Z, Bingham, C.R, Geiger, J.H, Borhan, B.
Deposit date:2024-02-13
Release date:2024-04-03
Method:X-RAY DIFFRACTION (1.34 Å)
Cite:Regulation of Emission via a Protein-Bound Fluorophore
To Be Published
8W02
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BU of 8w02 by Molmil
Q108K:K40L:T51V:T53S:R58W mutant of hCRBPII bound to synthetic fluorophore TD-1V
Descriptor: (2E)-3-{5-[4-(dimethylamino)phenyl]thiophen-2-yl}but-2-enal, ACETATE ION, Retinol-binding protein 2
Authors:Ghanbarpour, A, Geiger, J.H, Borhan, B.
Deposit date:2024-02-13
Release date:2024-04-03
Method:X-RAY DIFFRACTION (1.499 Å)
Cite:Regulation of Emission via a Protein-Bound Fluorophore
To Be Published
8RZW
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BU of 8rzw by Molmil
A fragment-based inhibitor of SHP2
Descriptor: 3,5-bis(chloranyl)pyrazin-2-amine, Tyrosine-protein phosphatase non-receptor type 11
Authors:Cleasby, A, Price, A.
Deposit date:2024-02-13
Release date:2024-03-20
Last modified:2024-04-10
Method:X-RAY DIFFRACTION (2.02 Å)
Cite:Fragment-Based Discovery of Allosteric Inhibitors of SH2 Domain-Containing Protein Tyrosine Phosphatase-2 (SHP2).
J.Med.Chem., 67, 2024
8RX7
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BU of 8rx7 by Molmil
LTA4 hydrolase in complex with compound2
Descriptor: 5-(4-phenoxyphenyl)-1~{H}-imidazole, ACETATE ION, IMIDAZOLE, ...
Authors:Srinivas, H.
Deposit date:2024-02-06
Release date:2024-03-20
Last modified:2024-04-10
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Structure-Guided Elaboration of a Fragment-Like Hit into an Orally Efficacious Leukotriene A4 Hydrolase Inhibitor.
J.Med.Chem., 67, 2024
8RX9
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BU of 8rx9 by Molmil
LTA4 hydrolase in complex with compound3
Descriptor: 1-[[5-[5-(1~{H}-pyrazol-5-yl)pyridin-2-yl]oxypyridin-2-yl]methyl]piperidin-4-ol, ACETATE ION, IMIDAZOLE, ...
Authors:Srinivas, H.
Deposit date:2024-02-06
Release date:2024-03-20
Last modified:2024-04-10
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:Structure-Guided Elaboration of a Fragment-Like Hit into an Orally Efficacious Leukotriene A4 Hydrolase Inhibitor.
J.Med.Chem., 67, 2024
8RX3
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BU of 8rx3 by Molmil
LTA4 hydrolase in complex with CTX-4430
Descriptor: 4-[[(1~{S},4~{S})-5-[[4-[4-(1,3-oxazol-2-yl)phenoxy]phenyl]methyl]-2,5-diazabicyclo[2.2.1]heptan-2-yl]methyl]benzoic acid, ACETATE ION, IMIDAZOLE, ...
Authors:Srinivas, H.
Deposit date:2024-02-06
Release date:2024-03-20
Last modified:2024-04-10
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Structure-Guided Elaboration of a Fragment-Like Hit into an Orally Efficacious Leukotriene A4 Hydrolase Inhibitor.
J.Med.Chem., 67, 2024
8RNV
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BU of 8rnv by Molmil
Hen Egg White Lysozyme soaked with cis-Ru(DMSO)4Cl2
Descriptor: 1,2-ETHANEDIOL, ACETATE ION, CHLORIDE ION, ...
Authors:Oszajca, M, Flejszar, M, Szura, A, Drozdz, P, Brindell, M, Kurpiewska, K.
Deposit date:2024-01-11
Release date:2024-01-24
Method:X-RAY DIFFRACTION (1.08 Å)
Cite:Exploring the coordination chemistry of ruthenium complexes with lysozymes: structural and in solution studies
To Be Published
8XQB
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BU of 8xqb by Molmil
Mature virion portal vertex of bacteriophage lambda
Descriptor: Capsid decoration protein, Head completion protein, Head-tail connector protein FII, ...
Authors:Wang, J.W, Gu, Z.W.
Deposit date:2024-01-05
Release date:2024-04-10
Method:ELECTRON MICROSCOPY (4.07 Å)
Cite:Structural morphing in the viral portal vertex of bacteriophage lambda
To Be Published
8XPT
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BU of 8xpt by Molmil
The Crystal Structure of EHMT1 from Biortus.
Descriptor: Histone-lysine N-methyltransferase EHMT1, S-ADENOSYL-L-HOMOCYSTEINE, SULFATE ION, ...
Authors:Wang, F, Cheng, W, Yuan, Z, Lin, D, Bao, C.
Deposit date:2024-01-04
Release date:2024-01-24
Method:X-RAY DIFFRACTION (3.35 Å)
Cite:The Crystal Structure of EHMT1 from Biortus.
To Be Published

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PDB entries from 2024-04-24

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