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5CTB
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BU of 5ctb by Molmil
Humanized yeast ACC carboxyltransferase domain bound to 6,7-dimethyl-1'-[(7-methyl-1H-indazol-5-yl)carbonyl]spiro[chromene-2,4'-piperidin]-4(3H)-one
Descriptor: 6,7-dimethyl-1'-[(7-methyl-1H-indazol-5-yl)carbonyl]spiro[chromene-2,4'-piperidin]-4(3H)-one, Acetyl-CoA carboxylase, SULFATE ION
Authors:Vajdos, F.F.
Deposit date:2015-07-23
Release date:2015-10-14
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Discovery of spirocyclic-diamine inhibitors of mammalian acetyl CoA-carboxylase.
Bioorg.Med.Chem.Lett., 25, 2015
5CWJ
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BU of 5cwj by Molmil
Crystal structure of de novo designed helical repeat protein DHR49
Descriptor: Designed helical repeat protein
Authors:Bhabha, G, Ekiert, D.C.
Deposit date:2015-07-28
Release date:2015-12-16
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Exploring the repeat protein universe through computational protein design.
Nature, 528, 2015
5CWP
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BU of 5cwp by Molmil
Crystal structure of de novo designed helical repeat protein DHR79
Descriptor: Designed helical repeat protein
Authors:Bhabha, G, Ekiert, D.C.
Deposit date:2015-07-28
Release date:2015-12-16
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Exploring the repeat protein universe through computational protein design.
Nature, 528, 2015
6SZE
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BU of 6sze by Molmil
RIP2 Kinase Catalytic Domain complex with 5-Amino-1-Phenylpyrazole-4-Carboxamide.
Descriptor: 5-Amino-1-Phenylpyrazole-4-Carboxamide, CALCIUM ION, Receptor-interacting serine/threonine-protein kinase 2
Authors:Convery, M.A, Charnley, A.K, Shewchuk, L.
Deposit date:2019-10-02
Release date:2019-10-23
Last modified:2024-05-15
Method:X-RAY DIFFRACTION (2.94 Å)
Cite:Discovery of Pyrazolocarboxamides as Potent and Selective Receptor Interacting Protein 2 (RIP2) Kinase Inhibitors.
Acs Med.Chem.Lett., 10, 2019
6SZL
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BU of 6szl by Molmil
Crystal structure of YTHDC1 with fragment 7 (DHU_DC1_021)
Descriptor: 6-phenyl-1~{H}-pyrimidine-2,4-dione, SULFATE ION, YTH domain-containing protein 1
Authors:Bedi, R.K, Huang, D, Sledz, P, Caflisch, A.
Deposit date:2019-10-02
Release date:2020-03-04
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.45 Å)
Cite:Selectively Disrupting m6A-Dependent Protein-RNA Interactions with Fragments.
Acs Chem.Biol., 15, 2020
5D19
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BU of 5d19 by Molmil
Crystal structure of Mycobacterium tuberculosis Rv0302, form II
Descriptor: TetR family transcriptional regulator
Authors:Chou, T.-H, Delmar, J, Su, C.-C, Yu, E.
Deposit date:2015-08-04
Release date:2015-10-07
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (2.655 Å)
Cite:Crystal structure of the Mycobacterium tuberculosis transcriptional regulator Rv0302.
Protein Sci., 2015
6T09
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BU of 6t09 by Molmil
Crystal structure of YTHDC1 with fragment 24 (PSI_DC1_003)
Descriptor: SULFATE ION, YTHDC1, ~{N}-pyridin-3-ylethanamide
Authors:Bedi, R.K, Huang, D, Sledz, P, Caflisch, A.
Deposit date:2019-10-02
Release date:2020-03-04
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:Selectively Disrupting m6A-Dependent Protein-RNA Interactions with Fragments.
Acs Chem.Biol., 15, 2020
6T0Z
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BU of 6t0z by Molmil
Crystal structure of YTHDC1 with fragment 23 (ACA_DC1_005)
Descriptor: SULFATE ION, YTHDC1, ~{N}-cyclopropyl-1~{H}-imidazole-4-sulfonamide
Authors:Bedi, R.K, Huang, D, Sledz, P, Caflisch, A.
Deposit date:2019-10-03
Release date:2020-03-04
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.43 Å)
Cite:Selectively Disrupting m6A-Dependent Protein-RNA Interactions with Fragments.
Acs Chem.Biol., 15, 2020
5CQP
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BU of 5cqp by Molmil
GTB mutant with mercury - E303Q
Descriptor: Histo-blood group ABO system transferase, MERCURY (II) ION
Authors:Gagnon, S.M.L, Blackler, R.J.
Deposit date:2015-07-21
Release date:2016-10-26
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.83 Å)
Cite:Glycosyltransfer in mutants of putative catalytic residue Glu303 of the human ABO(H) A and B blood group glycosyltransferases GTA and GTB proceeds through a labile active site.
Glycobiology, 27, 2017
5CTE
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BU of 5cte by Molmil
Humanized yeast ACC carboxyltransferase domain bound to 2,2-dimethylpropyl (1S)-1-methyl-8-[(7-methyl-1H-indazol-5-yl)carbonyl]-2,8-diazaspiro[4.5]decane-2-carboxylate
Descriptor: 2,2-dimethylpropyl (1S)-1-methyl-8-[(7-methyl-1H-indazol-5-yl)carbonyl]-2,8-diazaspiro[4.5]decane-2-carboxylate, Acetyl-CoA carboxylase, SULFATE ION
Authors:Vajdos, F.F.
Deposit date:2015-07-23
Release date:2015-10-14
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (2.34 Å)
Cite:Discovery of spirocyclic-diamine inhibitors of mammalian acetyl CoA-carboxylase.
Bioorg.Med.Chem.Lett., 25, 2015
5CWL
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BU of 5cwl by Molmil
Crystal structure of de novo designed helical repeat protein DHR54
Descriptor: Designed helical repeat protein, SODIUM ION, TETRAETHYLENE GLYCOL, ...
Authors:Bhabha, G, Ekiert, D.C.
Deposit date:2015-07-28
Release date:2015-12-16
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Exploring the repeat protein universe through computational protein design.
Nature, 528, 2015
6SZ1
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BU of 6sz1 by Molmil
Crystal structure of YTHDC1 with fragment 2 (DHU_DC1_140)
Descriptor: SULFATE ION, YTH domain-containing protein 1, ~{N}-methylquinazolin-4-amine
Authors:Bedi, R.K, Huang, D, Sledz, P, Caflisch, A.
Deposit date:2019-10-01
Release date:2020-03-04
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:Selectively Disrupting m6A-Dependent Protein-RNA Interactions with Fragments.
Acs Chem.Biol., 15, 2020
6T05
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BU of 6t05 by Molmil
Crystal structure of YTHDC1 with fragment 18 (DHU_DC1_048)
Descriptor: 2-(phenylmethyl)imidazolidine, SULFATE ION, YTHDC1
Authors:Bedi, R.K, Huang, D, Sledz, P, Caflisch, A.
Deposit date:2019-10-02
Release date:2020-03-04
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Selectively Disrupting m6A-Dependent Protein-RNA Interactions with Fragments.
Acs Chem.Biol., 15, 2020
6T0D
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BU of 6t0d by Molmil
Crystal structure of YTHDC1 with fragment 27 (DHU_DC1_256)
Descriptor: SULFATE ION, YTHDC1, ~{N}-methyl-3-phenyl-1~{H}-pyrazole-5-carboxamide
Authors:Bedi, R.K, Huang, D, Sledz, P, Caflisch, A.
Deposit date:2019-10-02
Release date:2020-03-04
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.43 Å)
Cite:Selectively Disrupting m6A-Dependent Protein-RNA Interactions with Fragments.
Acs Chem.Biol., 15, 2020
6UWP
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BU of 6uwp by Molmil
BACE-1 in complex with compound #32
Descriptor: (1R,2R)-2-[(4aR,7aR)-2-amino-6-(pyrimidin-2-yl)-4a,5,6,7-tetrahydropyrrolo[3,4-d][1,3]thiazin-7a(4H)-yl]-N-{[(1R,2R)-2-methylcyclopropyl]methyl}cyclopropane-1-carboxamide, Beta-secretase 1, GLYCEROL, ...
Authors:Hendle, J, Timm, D.E.
Deposit date:2019-11-05
Release date:2019-12-11
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.29 Å)
Cite:Preparation and biological evaluation of BACE1 inhibitors: Leveraging trans-cyclopropyl moieties as ligand efficient conformational constraints.
Bioorg.Med.Chem., 28, 2020
6UX9
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BU of 6ux9 by Molmil
Crystal Structure Analysis of PIP4K2A
Descriptor: N-[4-(5-{(Z)-[(2E)-2-imino-4-oxo-1,3-thiazolidin-5-ylidene]methyl}pyridin-3-yl)phenyl]methanesulfonamide, Phosphatidylinositol 5-phosphate 4-kinase type-2 alpha
Authors:Seo, H.-S, Dhe-Paganon, S.
Deposit date:2019-11-07
Release date:2020-12-09
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.71 Å)
Cite:Discovery and Structure-Activity Relationship Study of ( Z )-5-Methylenethiazolidin-4-one Derivatives as Potent and Selective Pan-phosphatidylinositol 5-Phosphate 4-Kinase Inhibitors.
J.Med.Chem., 63, 2020
5A51
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BU of 5a51 by Molmil
The crystal structure of Arabidopsis thaliana CAR4 in complex with two calcium ions and phophatidyl serine
Descriptor: AT3G17980, CALCIUM ION, PHOSPHOSERINE
Authors:Diaz, M, Albert, A.
Deposit date:2015-06-16
Release date:2016-03-02
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.602 Å)
Cite:Calcium-Dependent Oligomerization of Car Proteins at Cell Membrane Modulates Aba Signaling.
Proc.Natl.Acad.Sci.USA, 113, 2016
6V1Z
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BU of 6v1z by Molmil
genome-containing AAVrh.39 particles
Descriptor: Capsid protein VP1, DNA (5'-D(*CP*A)-3')
Authors:Mietzsch, M, Agbandje-McKenna, M.
Deposit date:2019-11-21
Release date:2019-12-11
Last modified:2024-06-12
Method:ELECTRON MICROSCOPY (3.58 Å)
Cite:Comparative Analysis of the Capsid Structures of AAVrh.10, AAVrh.39, and AAV8.
J.Virol., 94, 2020
6V55
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BU of 6v55 by Molmil
Full extracellular region of zebrafish Gpr126/Adgrg6
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Adhesion G-protein coupled receptor G6, CALCIUM ION
Authors:Leon, K, Arac, D.
Deposit date:2019-12-03
Release date:2020-01-15
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (2.38 Å)
Cite:Structural basis for adhesion G protein-coupled receptor Gpr126 function.
Nat Commun, 11, 2020
6V12
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BU of 6v12 by Molmil
Empty AAV8 particles
Descriptor: Capsid protein
Authors:Mietzsch, M, Agbandje-McKenna, M.
Deposit date:2019-11-19
Release date:2019-12-11
Last modified:2024-03-06
Method:ELECTRON MICROSCOPY (3.08 Å)
Cite:Comparative Analysis of the Capsid Structures of AAVrh.10, AAVrh.39, and AAV8.
J.Virol., 94, 2020
5CWB
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BU of 5cwb by Molmil
Crystal structure of de novo designed helical repeat protein DHR4
Descriptor: Designed helical repeat protein
Authors:Bhabha, G, Ekiert, D.C.
Deposit date:2015-07-27
Release date:2015-12-16
Last modified:2016-01-06
Method:X-RAY DIFFRACTION (1.55 Å)
Cite:Exploring the repeat protein universe through computational protein design.
Nature, 528, 2015
5CWK
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BU of 5cwk by Molmil
Crystal structure of de novo designed helical repeat protein DHR53
Descriptor: Designed helical repeat protein
Authors:Bhabha, G, Ekiert, D.C.
Deposit date:2015-07-28
Release date:2015-12-16
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Exploring the repeat protein universe through computational protein design.
Nature, 528, 2015
5D6C
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BU of 5d6c by Molmil
Structure of 4497 Fab bound to synthetic wall teichoic acid fragment
Descriptor: 4-O-[2-acetamido-2-deoxy-beta-D-glucopyranosyl]-5-O-phosphono-D-ribitol, 4497 antibody IgG1 (VH and CH1), 4497 antibody IgK (VL and CL), ...
Authors:Lupardus, P.J, Fong, R.
Deposit date:2015-08-12
Release date:2015-11-11
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (1.72 Å)
Cite:Novel antibody-antibiotic conjugate eliminates intracellular S. aureus.
Nature, 527, 2015
5CWG
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BU of 5cwg by Molmil
Crystal structure of de novo designed helical repeat protein DHR10
Descriptor: 1,2-ETHANEDIOL, Designed helical repeat protein, UNKNOWN LIGAND
Authors:Bhabha, G, Ekiert, D.C.
Deposit date:2015-07-28
Release date:2015-12-16
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (1.2 Å)
Cite:Exploring the repeat protein universe through computational protein design.
Nature, 528, 2015
6T0O
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BU of 6t0o by Molmil
Crystal structure of YTHDC1 with fragment 14 (ACA_DC1_004)
Descriptor: 2-methyl-3~{H}-pyrido[3,4-d]pyrimidin-4-one, SULFATE ION, YTHDC1
Authors:Bedi, R.K, Huang, D, Sledz, P, Caflisch, A.
Deposit date:2019-10-03
Release date:2020-03-04
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.71 Å)
Cite:Selectively Disrupting m6A-Dependent Protein-RNA Interactions with Fragments.
Acs Chem.Biol., 15, 2020

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