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8EEA
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BU of 8eea by Molmil
Structure of E.coli Septu (PtuAB) complex
Descriptor: ADENOSINE-5'-TRIPHOSPHATE, PtuA, PtuB
Authors:Shen, Z.F, Fu, T.M.
Deposit date:2022-09-06
Release date:2023-12-27
Last modified:2024-04-03
Method:ELECTRON MICROSCOPY (2.6 Å)
Cite:PtuA and PtuB assemble into an inflammasome-like oligomer for anti-phage defense.
Nat.Struct.Mol.Biol., 31, 2024
6MAJ
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BU of 6maj by Molmil
HBO1 is required for the maintenance of leukaemia stem cells
Descriptor: 4-fluoro-N'-[(3-hydroxyphenyl)sulfonyl]-5-methyl[1,1'-biphenyl]-3-carbohydrazide, BRD1 protein, GLYCEROL, ...
Authors:Ren, B, Peat, T.S, Monahan, B, Dawson, M, Street, I.
Deposit date:2018-08-27
Release date:2019-12-25
Last modified:2020-01-22
Method:X-RAY DIFFRACTION (2.139 Å)
Cite:HBO1 is required for the maintenance of leukaemia stem cells.
Nature, 577, 2020
6MAK
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BU of 6mak by Molmil
HBO1 is required for the maintenance of leukaemia stem cells
Descriptor: ACETYL COENZYME *A, BRD1 protein, Histone acetyltransferase KAT7, ...
Authors:Ren, B, Peat, T.S, Monahan, B, Dawson, M, Street, I.
Deposit date:2018-08-27
Release date:2019-12-25
Last modified:2020-01-22
Method:X-RAY DIFFRACTION (2.13 Å)
Cite:HBO1 is required for the maintenance of leukaemia stem cells.
Nature, 577, 2020
2WDA
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BU of 2wda by Molmil
The X-ray structure of the Streptomyces coelicolor A3 Chondroitin AC Lyase in Complex with Chondroitin sulphate
Descriptor: 4-deoxy-alpha-L-threo-hex-4-enopyranuronic acid-(1-3)-2-acetamido-2-deoxy-4-O-sulfo-beta-D-galactopyranose, DI(HYDROXYETHYL)ETHER, FORMIC ACID, ...
Authors:Elmabrouk, Z.H, Taylor, E.J, Vincent, F, Smith, N.L, Turkenburg, J.P, Davies, G.J, Black, G.W.
Deposit date:2009-03-23
Release date:2010-04-21
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Crystal Structures of a Family 8 Polysaccharide Lyase Reveal Open and Highly Occluded Substrate-Binding Cleft Conformations.
Proteins, 79, 2011
6VSP
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BU of 6vsp by Molmil
Structure of Serratia marcescens 2,3-butanediol dehydrogenase mutant Q247A
Descriptor: 1,2-ETHANEDIOL, 2,3-butanediol dehydrogenase, ADENOSINE-5'-DIPHOSPHATE, ...
Authors:Alahuhta, P.M, Lunin, V.V.
Deposit date:2020-02-11
Release date:2020-12-23
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Phylogenetics-based identification and characterization of a superior 2,3-butanediol dehydrogenase for Zymomonas mobilis expression.
Biotechnol Biofuels, 13, 2020
6ZGZ
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BU of 6zgz by Molmil
Structure of human galactokinase 1 bound with 2-(4-chlorophenyl)-N-(pyrimidin-2-yl)acetamide
Descriptor: 2-(1,3-benzoxazol-2-ylamino)spiro[1,6,7,8-tetrahydroquinazoline-4,1'-cyclohexane]-5-one, Galactokinase, beta-D-galactopyranose, ...
Authors:Mackinnon, S.R, Bezerra, G.A, Zhang, M, Foster, W, Krojer, T, Brandao-Neto, J, Douangamath, A, Arrowsmith, C, Edwards, A, Bountra, C, Brennan, P, Lai, K, Yue, W.W.
Deposit date:2020-06-20
Release date:2020-07-29
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Fragment Screening Reveals Starting Points for Rational Design of Galactokinase 1 Inhibitors to Treat Classic Galactosemia.
Acs Chem.Biol., 16, 2021
6ZGY
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BU of 6zgy by Molmil
Structure of human galactokinase 1 bound with 2-(4-chlorophenyl)-N-(pyrimidin-2-yl)acetamide
Descriptor: (2,5-dimethylphenyl) pyridine-4-carboxylate, 2-(1,3-benzoxazol-2-ylamino)spiro[1,6,7,8-tetrahydroquinazoline-4,1'-cyclohexane]-5-one, Galactokinase, ...
Authors:Mackinnon, S.R, Bezerra, G.A, Zhang, M, Foster, W, Krojer, T, Brandao-Neto, J, Douangamath, A, Arrowsmith, C, Edwards, A, Bountra, C, Brennan, P, Lai, K, Yue, W.W.
Deposit date:2020-06-20
Release date:2020-07-29
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Fragment Screening Reveals Starting Points for Rational Design of Galactokinase 1 Inhibitors to Treat Classic Galactosemia.
Acs Chem.Biol., 16, 2021
6ZGX
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BU of 6zgx by Molmil
Structure of human galactokinase 1 bound with 2-(4-chlorophenyl)-N-(pyrimidin-2-yl)acetamide
Descriptor: 1-[2-(2-oxidanylidenepyrrolidin-1-yl)ethyl]-3-phenyl-urea, 2-(1,3-benzoxazol-2-ylamino)spiro[1,6,7,8-tetrahydroquinazoline-4,1'-cyclohexane]-5-one, Galactokinase, ...
Authors:Mackinnon, S.R, Bezerra, G.A, Zhang, M, Foster, W, Krojer, T, Brandao-Neto, J, Douangamath, A, Arrowsmith, C, Edwards, A, Bountra, C, Brennan, P, Lai, K, Yue, W.W.
Deposit date:2020-06-20
Release date:2020-07-29
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.86 Å)
Cite:Fragment Screening Reveals Starting Points for Rational Design of Galactokinase 1 Inhibitors to Treat Classic Galactosemia.
Acs Chem.Biol., 16, 2021
6ZGV
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BU of 6zgv by Molmil
Structure of human galactokinase 1 bound with 2-(4-chlorophenyl)-N-(pyrimidin-2-yl)acetamide
Descriptor: 2-(1,3-benzoxazol-2-ylamino)spiro[1,6,7,8-tetrahydroquinazoline-4,1'-cyclohexane]-5-one, 2-(4-chlorophenyl)-~{N}-pyrimidin-2-yl-ethanamide, Galactokinase, ...
Authors:Mackinnon, S.R, Bezerra, G.A, Zhang, M, Foster, W, Krojer, T, Brandao-Neto, J, Douangamath, A, Arrowsmith, C, Edwards, A, Bountra, C, Brennan, P, Lai, K, Yue, W.W.
Deposit date:2020-06-20
Release date:2020-07-29
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Fragment Screening Reveals Starting Points for Rational Design of Galactokinase 1 Inhibitors to Treat Classic Galactosemia.
Acs Chem.Biol., 16, 2021
6ZGW
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BU of 6zgw by Molmil
Structure of human galactokinase 1 bound with (4-chlorophenyl)methyl pyridine-3-carboxylate
Descriptor: (4-chlorophenyl)methyl pyridine-3-carboxylate, 2-(1,3-benzoxazol-2-ylamino)spiro[1,6,7,8-tetrahydroquinazoline-4,1'-cyclohexane]-5-one, Galactokinase, ...
Authors:Mackinnon, S.R, Bezerra, G.A, Zhang, M, Foster, W, Krojer, T, Brandao-Neto, J, Douangamath, A, Arrowsmith, C, Edwards, A, Bountra, C, Brennan, P, Lai, K, Yue, W.W.
Deposit date:2020-06-20
Release date:2020-07-29
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Fragment Screening Reveals Starting Points for Rational Design of Galactokinase 1 Inhibitors to Treat Classic Galactosemia.
Acs Chem.Biol., 16, 2021
2X03
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BU of 2x03 by Molmil
The X-ray structure of the Streptomyces coelicolor A3 Chondroitin AC Lyase Y253A mutant
Descriptor: MAGNESIUM ION, PUTATIVE SECRETED LYASE
Authors:Elmabrouk, Z.H, Taylor, E.J, Vincent, F, Smith, N.L, Turkenburg, J.P, Davies, G.J, Black, G.W.
Deposit date:2009-12-04
Release date:2010-08-18
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Crystal Structures of a Family 8 Polysaccharide Lyase Reveal Open and Highly Occluded Substrate-Binding Cleft Conformations.
Proteins, 79, 2011
8I0D
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BU of 8i0d by Molmil
Sb3GT1 375S/Q377H mutant complex with UDP-Glc
Descriptor: Glycosyltransferase, URIDINE-5'-DIPHOSPHATE-GLUCOSE
Authors:Wang, H.T, Wang, Z.L, Ye, M.
Deposit date:2023-01-10
Release date:2023-09-20
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (1.43 Å)
Cite:Insights into the missing apiosylation step in flavonoid apiosides biosynthesis of Leguminosae plants.
Nat Commun, 14, 2023
8HZZ
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BU of 8hzz by Molmil
GuApiGT (UGT79B74)
Descriptor: SULFATE ION, apiosyltransferase
Authors:Wang, H.T, Wang, Z.L, Li, F.D, Ye, M.
Deposit date:2023-01-10
Release date:2023-09-20
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Insights into the missing apiosylation step in flavonoid apiosides biosynthesis of Leguminosae plants.
Nat Commun, 14, 2023
8I0E
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BU of 8i0e by Molmil
Sb3GT1 complex with UDP
Descriptor: Glycosyltransferase, URIDINE-5'-DIPHOSPHATE
Authors:Wang, H.T, Wang, Z.L, Ye, M.
Deposit date:2023-01-10
Release date:2023-09-20
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Insights into the missing apiosylation step in flavonoid apiosides biosynthesis of Leguminosae plants.
Nat Commun, 14, 2023
6LYU
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BU of 6lyu by Molmil
Structure of the BAM complex
Descriptor: Outer membrane protein assembly factor BamA, Outer membrane protein assembly factor BamB, Outer membrane protein assembly factor BamC, ...
Authors:Xiao, L, Huang, Y.
Deposit date:2020-02-15
Release date:2021-01-13
Last modified:2024-03-27
Method:ELECTRON MICROSCOPY (4.2 Å)
Cite:Structures of the beta-barrel assembly machine recognizing outer membrane protein substrates.
Faseb J., 35, 2021
6LYQ
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BU of 6lyq by Molmil
Structure of the BAM complex
Descriptor: Outer membrane protein assembly factor BamA, Outer membrane protein assembly factor BamB, Outer membrane protein assembly factor BamC, ...
Authors:Xiao, L, Huang, Y.
Deposit date:2020-02-15
Release date:2021-01-06
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (3.19 Å)
Cite:Structures of the beta-barrel assembly machine recognizing outer membrane protein substrates.
Faseb J., 35, 2021
6LYR
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BU of 6lyr by Molmil
Structure of the BAM complex
Descriptor: Outer membrane protein assembly factor BamA, Outer membrane protein assembly factor BamB, Outer membrane protein assembly factor BamC, ...
Authors:Xiao, L, Huang, Y.
Deposit date:2020-02-15
Release date:2021-01-06
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (3.28 Å)
Cite:Structures of the beta-barrel assembly machine recognizing outer membrane protein substrates.
Faseb J., 35, 2021
6LYS
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BU of 6lys by Molmil
Structure of the BAM complex
Descriptor: Outer membrane protein assembly factor BamA, Outer membrane protein assembly factor BamB, Outer membrane protein assembly factor BamC, ...
Authors:Xiao, L, Huang, Y.
Deposit date:2020-02-15
Release date:2021-01-13
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (3.05 Å)
Cite:Structures of the beta-barrel assembly machine recognizing outer membrane protein substrates.
Faseb J., 35, 2021
4ZNN
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BU of 4znn by Molmil
MicroED structure of the segment, GVVHGVTTVA, from the A53T familial mutant of Parkinson's disease protein, alpha-synuclein residues 47-56
Descriptor: Alpha-synuclein
Authors:Rodriguez, J.A, Ivanova, M, Sawaya, M.R, Cascio, D, Reyes, F, Shi, D, Johnson, L, Guenther, E, Sangwan, S, Hattne, J, Nannenga, B, Brewster, A.S, Messerschmidt, M, Boutet, S, Sauter, N.K, Gonen, T, Eisenberg, D.S.
Deposit date:2015-05-05
Release date:2015-09-09
Last modified:2024-03-06
Method:ELECTRON CRYSTALLOGRAPHY (1.41 Å)
Cite:Structure of the toxic core of alpha-synuclein from invisible crystals.
Nature, 525, 2015
5UE8
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BU of 5ue8 by Molmil
The crystal structure of Munc13-1 C1C2BMUN domain
Descriptor: CHLORIDE ION, Protein unc-13 homolog A, ZINC ION
Authors:Tomchick, D.R, Rizo, J, Xu, J.
Deposit date:2016-12-29
Release date:2017-02-15
Last modified:2018-03-28
Method:X-RAY DIFFRACTION (3.35 Å)
Cite:Mechanistic insights into neurotransmitter release and presynaptic plasticity from the crystal structure of Munc13-1 C1C2BMUN.
Elife, 6, 2017
3EOB
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BU of 3eob by Molmil
Crystal structure the Fab fragment of Efalizumab in complex with LFA-1 I domain, Form II
Descriptor: Efalizumab Fab fragment, heavy chain, light chain, ...
Authors:Li, S, Ding, J.
Deposit date:2008-09-26
Release date:2009-04-14
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (3.6 Å)
Cite:Efalizumab binding to the LFA-1 alphaL I domain blocks ICAM-1 binding via steric hindrance.
Proc.Natl.Acad.Sci.USA, 106, 2009
5GT1
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BU of 5gt1 by Molmil
crystal structure of cbpa from L. salivarius REN
Descriptor: 1,2-ETHANEDIOL, ACETATE ION, Choline binding protein A, ...
Authors:Jiang, L, Ren, F.
Deposit date:2016-08-18
Release date:2017-07-19
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:The Adhesion of Lactobacillus salivarius REN to a Human Intestinal Epithelial Cell Line Requires S-layer Proteins
Sci Rep, 7, 2017
3EOA
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BU of 3eoa by Molmil
Crystal structure the Fab fragment of Efalizumab in complex with LFA-1 I domain, Form I
Descriptor: Efalizumab Fab fragment, heavy chain, light chain, ...
Authors:Li, S, Ding, J.
Deposit date:2008-09-26
Release date:2009-04-14
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Efalizumab binding to the LFA-1 alphaL I domain blocks ICAM-1 binding via steric hindrance.
Proc.Natl.Acad.Sci.USA, 106, 2009
3EO9
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BU of 3eo9 by Molmil
Crystal structure the Fab fragment of Efalizumab
Descriptor: Efalizumab Fab fragment, heavy chain, light chain
Authors:Li, S, Ding, J.
Deposit date:2008-09-26
Release date:2009-04-14
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Efalizumab binding to the LFA-1 alphaL I domain blocks ICAM-1 binding via steric hindrance.
Proc.Natl.Acad.Sci.USA, 106, 2009
8GYD
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BU of 8gyd by Molmil
Structure of Schistosoma japonicum Glutathione S-transferase bound with the ligand complex of 16
Descriptor: (2R)-2-[[2-(5-chloranylthiophen-2-yl)-4-oxidanylidene-6-[2-(1H-1,2,3,4-tetrazol-5-yl)phenyl]quinazolin-3-yl]methyl]-3-(4-chlorophenyl)propanoic acid, ETHANOL, Glutathione S-transferase class-mu 26 kDa isozyme
Authors:Wen, X, Jin, R, Hu, H, Zhu, J, Song, W, Lu, X.
Deposit date:2022-09-22
Release date:2023-08-23
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Discovery, SAR Study of GST Inhibitors from a Novel Quinazolin-4(1 H )-one Focused DNA-Encoded Library.
J.Med.Chem., 66, 2023

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