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6T2Q
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BU of 6t2q by Molmil
Prominent members of the human gut microbiota express endo-acting O-glycanases to initiate mucin breakdown
Descriptor: 1,2-ETHANEDIOL, CALCIUM ION, Glycosyl hydrolase family 16, ...
Authors:Crouch, L.I, Liberato, M.V, Ubranowicz, P.A, Basle, A, Lamb, C.A, Cooke, K, Doona, M, Needham, S, Brady, R.R, Berrington, J.E, Madubic, K, Chater, P, Zhang, F, Linhardt, R.J, Spence, D.I.R, Bolam, D.N.
Deposit date:2019-10-09
Release date:2020-07-08
Last modified:2024-11-06
Method:X-RAY DIFFRACTION (2 Å)
Cite:Prominent members of the human gut microbiota express endo-acting O-glycanases to initiate mucin breakdown.
Nat Commun, 11, 2020
6QZ2
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BU of 6qz2 by Molmil
Structure of MHETase from Ideonella sakaiensis
Descriptor: CALCIUM ION, Mono(2-hydroxyethyl) terephthalate hydrolase
Authors:Allen, M.D, Johnson, C.W, Knott, B.C, Beckham, G.T, McGeehan, J.E.
Deposit date:2019-03-10
Release date:2020-09-30
Last modified:2024-11-13
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Characterization and engineering of a two-enzyme system for plastics depolymerization.
Proc.Natl.Acad.Sci.USA, 117, 2020
6QZ3
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BU of 6qz3 by Molmil
Structure of MHETase from Ideonella sakaiensis
Descriptor: BENZOIC ACID, CALCIUM ION, Mono(2-hydroxyethyl) terephthalate hydrolase
Authors:Allen, M.D, Johnson, C.W, Knott, B.C, Beckham, G.T, McGeehan, J.E.
Deposit date:2019-03-11
Release date:2020-09-30
Last modified:2024-10-16
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Characterization and engineering of a two-enzyme system for plastics depolymerization.
Proc.Natl.Acad.Sci.USA, 117, 2020
6QZ1
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BU of 6qz1 by Molmil
Structure of MHETase from Ideonella sakaiensis
Descriptor: BENZOIC ACID, CALCIUM ION, Mono(2-hydroxyethyl) terephthalate hydrolase
Authors:Allen, M.D, Johnson, C.W, Knott, B.C, Beckham, G.T, McGeehan, J.E.
Deposit date:2019-03-10
Release date:2020-09-30
Last modified:2024-11-20
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Characterization and engineering of a two-enzyme system for plastics depolymerization.
Proc.Natl.Acad.Sci.USA, 117, 2020
6T2N
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BU of 6t2n by Molmil
Prominent members of the human gut microbiota express endo-acting O-glycanases to initiate mucin breakdown
Descriptor: CALCIUM ION, Glycoside hydrolase family 16 protein
Authors:Crouch, L.I, Liberato, M.V, Ubranowicz, P.A, Basle, A, Lamb, C.A, Cooke, K, Doona, M, Needham, S, Brady, R.R, Berrington, J.E, Madubic, K, Chater, P, Zhang, F, Linhardt, R.J, Spence, D.I.R, Bolam, D.N.
Deposit date:2019-10-09
Release date:2020-07-08
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Prominent members of the human gut microbiota express endo-acting O-glycanases to initiate mucin breakdown.
Nat Commun, 11, 2020
6TQA
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BU of 6tqa by Molmil
X-ray structure of Roquin ROQ domain in complex with a UCP3 CDE2 SL RNA motif
Descriptor: CHLORIDE ION, MAGNESIUM ION, RNA (5'-R(P*GP*GP*UP*GP*CP*CP*UP*AP*AP*UP*AP*UP*UP*UP*AP*GP*GP*CP*AP*CP*(CCC))-3'), ...
Authors:Binas, O, Tants, J.-N, Peter, S.A, Janowski, R, Davydova, E, Braun, J, Niessing, D, Schwalbe, H, Weigand, J.E, Schlundt, A.
Deposit date:2019-12-16
Release date:2020-05-27
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Structural basis for the recognition of transiently structured AU-rich elements by Roquin.
Nucleic Acids Res., 48, 2020
6TQB
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BU of 6tqb by Molmil
X-ray structure of Roquin ROQ domain in complex with a UCP3 CDE1 SL RNA motif
Descriptor: 1,2-ETHANEDIOL, CHLORIDE ION, MAGNESIUM ION, ...
Authors:Binas, O, Tants, J.-N, Peter, S.A, Janowski, R, Davydova, E, Braun, J, Niessing, D, Schwalbe, H, Weigand, J.E, Schlundt, A.
Deposit date:2019-12-16
Release date:2020-05-27
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Structural basis for the recognition of transiently structured AU-rich elements by Roquin.
Nucleic Acids Res., 48, 2020
6QZ4
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BU of 6qz4 by Molmil
Structure of MHETase from Ideonella sakaiensis
Descriptor: CALCIUM ION, Mono(2-hydroxyethyl) terephthalate hydrolase, SULFATE ION
Authors:Allen, M.D, Johnson, C.W, Knott, B.C, Beckham, G.T, McGeehan, J.E.
Deposit date:2019-03-11
Release date:2020-09-30
Last modified:2024-10-23
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Characterization and engineering of a two-enzyme system for plastics depolymerization.
Proc.Natl.Acad.Sci.USA, 117, 2020
6HQK
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BU of 6hqk by Molmil
Crystal structure of GcoA F169A bound to guaiacol
Descriptor: Cytochrome P450, Guaiacol, PROTOPORPHYRIN IX CONTAINING FE
Authors:Mallinson, S.J.B, Hinchen, D.J, Allen, M.D, Johnson, C.W, Beckham, G.T, McGeehan, J.E.
Deposit date:2018-09-25
Release date:2019-07-03
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.57 Å)
Cite:Enabling microbial syringol conversion through structure-guided protein engineering.
Proc.Natl.Acad.Sci.USA, 116, 2019
6HQR
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BU of 6hqr by Molmil
Crystal structure of GcoA F169H bound to syringol
Descriptor: 2,6-dimethoxyphenol, Cytochrome P450, PROTOPORPHYRIN IX CONTAINING FE
Authors:Mallinson, S.J.B, Hinchen, D.J, Allen, M.D, Johnson, C.W, Beckham, G.T, McGeehan, J.E.
Deposit date:2018-09-25
Release date:2019-07-03
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.79 Å)
Cite:Enabling microbial syringol conversion through structure-guided protein engineering.
Proc.Natl.Acad.Sci.USA, 116, 2019
4U0P
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BU of 4u0p by Molmil
The Crystal Structure of Lipoyl Synthase in Complex with S-Adenosyl Homocysteine
Descriptor: IRON/SULFUR CLUSTER, Lipoyl synthase 2, S-ADENOSYL-L-HOMOCYSTEINE, ...
Authors:Harmer, J.E, Hiscox, M.J, Sandy, J, Dinis, P.C, Roach, P.L.
Deposit date:2014-07-13
Release date:2014-08-20
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (1.623 Å)
Cite:Structures of lipoyl synthase reveal a compact active site for controlling sequential sulfur insertion reactions.
Biochem.J., 464, 2014
4UFK
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BU of 4ufk by Molmil
Mouse Galactocerebrosidase complexed with dideoxy-imino-lyxitol DIL
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, ...
Authors:Hill, C.H, Viuff, A.H, Spratley, S.J, Salamone, S, Christensen, S.H, Read, R.J, Moriarty, N.W, Jensen, H.H, Deane, J.E.
Deposit date:2015-03-17
Release date:2015-03-25
Last modified:2024-11-06
Method:X-RAY DIFFRACTION (2.402 Å)
Cite:Azasugar Inhibitors as Pharmacological Chaperones for Krabbe Disease.
Chem.Sci., 6, 2015
4UFH
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BU of 4ufh by Molmil
Mouse Galactocerebrosidase complexed with iso-galacto-fagomine IGF
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, ...
Authors:Hill, C.H, Viuff, A.H, Spratley, S.J, Salamone, S, Christensen, S.H, Read, R.J, Moriarty, N.W, Jensen, H.H, Deane, J.E.
Deposit date:2015-03-17
Release date:2015-03-25
Last modified:2024-11-13
Method:X-RAY DIFFRACTION (2.16 Å)
Cite:Azasugar Inhibitors as Pharmacological Chaperones for Krabbe Disease.
Chem.Sci., 6, 2015
4UFJ
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BU of 4ufj by Molmil
Mouse Galactocerebrosidase complexed with iso-galacto-fagomine lactam IGL
Descriptor: (3S,4S,5R)-5-(hydroxymethyl)-3,4-bis(oxidanyl)piperidin-2-one, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Hill, C.H, Viuff, A.H, Spratley, S.J, Salamone, S, Christensen, S.H, Read, R.J, Moriarty, N.W, Jensen, H.H, Deane, J.E.
Deposit date:2015-03-17
Release date:2015-03-25
Last modified:2024-11-06
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Azasugar Inhibitors as Pharmacological Chaperones for Krabbe Disease.
Chem.Sci., 6, 2015
4UFL
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BU of 4ufl by Molmil
Mouse Galactocerebrosidase complexed with deoxy-galacto-noeurostegine DGN
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, ...
Authors:Hill, C.H, Viuff, A.H, Spratley, S.J, Salamone, S, Christensen, S.H, Read, R.J, Moriarty, N.W, Jensen, H.H, Deane, J.E.
Deposit date:2015-03-17
Release date:2015-03-25
Last modified:2024-10-23
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Azasugar Inhibitors as Pharmacological Chaperones for Krabbe Disease.
Chem.Sci., 6, 2015
6UGL
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BU of 6ugl by Molmil
VqmA bound to DPO
Descriptor: 3,5-dimethylpyrazin-2(1H)-one, Helix-turn-helix transcriptional regulator
Authors:Paczkowski, J.E, Huang, X.
Deposit date:2019-09-26
Release date:2020-01-29
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (2.03 Å)
Cite:Mechanism underlying autoinducer recognition in theVibrio choleraeDPO-VqmA quorum-sensing pathway.
J.Biol.Chem., 295, 2020
4UFM
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BU of 4ufm by Molmil
Mouse Galactocerebrosidase complexed with 1-deoxy-galacto-nojirimycin DGJ
Descriptor: (2R,3S,4R,5S)-2-(hydroxymethyl)piperidine-3,4,5-triol, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Hill, C.H, Viuff, A.H, Spratley, S.J, Salamone, S, Christensen, S.H, Read, R.J, Moriarty, N.W, Jensen, H.H, Deane, J.E.
Deposit date:2015-03-17
Release date:2015-04-01
Last modified:2024-10-16
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Azasugar Inhibitors as Pharmacological Chaperones for Krabbe Disease.
Chem.Sci., 6, 2015
4UIH
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BU of 4uih by Molmil
Cryo-EM structure of Dengue virus serotype 2 strain New Guinea-C complexed with human antibody 2D22 Fab at 37 degree C. The Fab molecules were added to the virus before 37 degree C incubation.
Descriptor: ANTIGEN-BINDING FRAGMENT OF HUMAN ANTIBODY 2D22 -HEAVY CHAIN, ANTIGEN-BINDING FRAGMENT OF HUMAN ANTIBODY 2D22 -LIGHT CHAIN, DENGUE VIRUS SEROTYPE 2 STRAIN NEW GUINEA-C E PROTEIN ECTODOMAIN
Authors:Fibriansah, G, Ibarra, K.D, Ng, T.-S, Smith, S.A, Tan, J.L, Lim, X.N, Ooi, J.S.G, Kostyuchenko, V.A, Wang, J, de Silva, A.M, Harris, E, Crowe, J.E, Lok, S.-M.
Deposit date:2015-03-30
Release date:2015-07-15
Last modified:2024-05-08
Method:ELECTRON MICROSCOPY (20 Å)
Cite:Cryo-EM structure of an antibody that neutralizes dengue virus type 2 by locking E protein dimers.
Science, 349, 2015
4UEX
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BU of 4uex by Molmil
Structure of human Saposin A at lysosomal pH
Descriptor: PROSAPOSIN
Authors:Hill, C.H, Read, R.J, Deane, J.E.
Deposit date:2014-12-20
Release date:2015-07-15
Last modified:2024-11-13
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Structure of Human Saposin a at Lysosomal Ph.
Acta Crystallogr.,Sect.D, 71, 2015
4UXJ
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BU of 4uxj by Molmil
Leishmania major Thymidine Kinase in complex with dTTP
Descriptor: MAGNESIUM ION, THYMIDINE KINASE, THYMIDINE-5'-TRIPHOSPHATE, ...
Authors:Timm, J, Bosch-Navarrete, C, Recio, E, Nettleship, J.E, Rada, H, Gonzalez-Pacanowska, D, Wilson, K.S.
Deposit date:2014-08-22
Release date:2015-05-27
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (3 Å)
Cite:Structural and Kinetic Characterization of Thymidine Kinase from Leishmania Major.
Plos Negl Trop Dis, 9, 2015
4UUK
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BU of 4uuk by Molmil
Human dynamin 1 K44A superconstricted polymer stabilized with GTP strand 2
Descriptor: DYNAMIN-1
Authors:Sundborger, A.C, Fang, S, Heymann, J.A, Ray, P, Chappie, J.S, Hinshaw, J.E.
Deposit date:2014-07-29
Release date:2014-08-27
Last modified:2024-05-08
Method:ELECTRON MICROSCOPY (12.5 Å)
Cite:A Dynamin Mutant Defines a Superconstricted Prefission State.
Cell Rep., 8, 2014
6V8N
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BU of 6v8n by Molmil
Crystal structure of the p300 acetyltransferase domain with AcCoA competitive inhibitor 17
Descriptor: (2R)-2-{[(2S)-2-(4-cyanophenyl)propyl]amino}-N-[5-(1-methyl-1H-pyrazol-4-yl)pyridin-2-yl]-2-phenylacetamide, CHLORIDE ION, Histone acetyltransferase p300, ...
Authors:Gardberg, A.S, Wilson, J.E.
Deposit date:2019-12-11
Release date:2020-04-01
Last modified:2024-10-30
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Early Drug-Discovery Efforts towards the Identification of EP300/CBP Histone Acetyltransferase (HAT) Inhibitors.
Chemmedchem, 15, 2020
7QOS
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BU of 7qos by Molmil
Cyclopropane fatty acid synthase from Aquifex aeolicous with bound ligands
Descriptor: 2-azanylethyl-[(2~{S})-2,3-di(hexadecanoyloxy)propoxy]phosphinic acid, CARBONATE ION, Cyclopropane-fatty-acyl-phospholipid synthase, ...
Authors:Lukk, T, Cronan, J.E, Nair, S.K.
Deposit date:2021-12-28
Release date:2022-02-02
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Structure of cyclopropane fatty acid synthase from Aquifex aeolicus
To Be Published
8AFI
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BU of 8afi by Molmil
GABARAP in complex with LIR motif of HsATG3
Descriptor: ACETATE ION, GLYCEROL, Gamma-aminobutyric acid receptor-associated protein, ...
Authors:Farnung, J, Benoit, R.M, Corn, J.E, Bode, J.W.
Deposit date:2022-07-18
Release date:2023-05-10
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (2.66 Å)
Cite:Semisynthetic LC3 Probes for Autophagy Pathways Reveal a Noncanonical LC3 Interacting Region Motif Crucial for the Enzymatic Activity of Human ATG3.
Acs Cent.Sci., 9, 2023
8A12
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BU of 8a12 by Molmil
Plasmodium falciparum Myosin A full-length, post-rigor state complexed to Mg.ATP-gamma-S
Descriptor: 1,2-ETHANEDIOL, ADENOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, ...
Authors:Moussaoui, D, Robblee, J.P, Auguin, D, Fisher, F, Fagnant, P.M, MacFarlane, J.E, Mueller-Dieckmann, C, Baum, J, Robert-Paganin, J, Trybus, K.M, Houdusse, A.
Deposit date:2022-05-31
Release date:2023-06-21
Last modified:2024-10-23
Method:X-RAY DIFFRACTION (2.03 Å)
Cite:Mechanism of small molecule inhibition of Plasmodium falciparum myosin A informs antimalarial drug design.
Nat Commun, 14, 2023

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