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5UPE
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BU of 5upe by Molmil
Crystal structure of human NAMPT with isoindoline urea inhibitor compound 5
Descriptor: N-{4-[(3-phenylpropyl)carbamoyl]phenyl}-2H-isoindole-2-carboxamide, Nicotinamide phosphoribosyltransferase
Authors:Longenecker, K.L, Raich, D, Korepanova, A.V.
Deposit date:2017-02-02
Release date:2017-06-28
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.93 Å)
Cite:SAR and characterization of non-substrate isoindoline urea inhibitors of nicotinamide phosphoribosyltransferase (NAMPT).
Bioorg. Med. Chem. Lett., 27, 2017
8IKL
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BU of 8ikl by Molmil
Cryo-EM structure of the CD97-G13 complex
Descriptor: Adhesion G protein-coupled receptor E5, Guanine nucleotide-binding protein G(13) subunit alpha isoforms short, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, ...
Authors:Mao, C, Zhao, R, Dong, Y, Gao, M, Chen, L, Zhang, C, Xiao, P.
Deposit date:2023-02-28
Release date:2024-01-24
Last modified:2024-02-14
Method:ELECTRON MICROSCOPY (2.33 Å)
Cite:Conformational transitions and activation of the adhesion receptor CD97.
Mol.Cell, 84, 2024
8GUE
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BU of 8gue by Molmil
Crystal Structure of narbomycin-bound cytochrome P450 PikC with the unnatural amino acid p-Acetyl-L-Phenylalanine incorporated at position 238
Descriptor: 1,2-ETHANEDIOL, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Cytochrome P450 monooxygenase PikC, ...
Authors:Li, G.B, Pan, Y.J, Li, S.Y, Gao, X.
Deposit date:2022-09-11
Release date:2023-02-15
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Unnatural activities and mechanistic insights of cytochrome P450 PikC gained from site-specific mutagenesis by non-canonical amino acids.
Nat Commun, 14, 2023
7F3U
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BU of 7f3u by Molmil
Cryo-EM structure of human TMEM120A in the CoASH-free state
Descriptor: Transmembrane protein 120A
Authors:Rong, Y, Gao, Y.W, Song, D.F, Zhao, Y, Liu, Z.F.
Deposit date:2021-06-17
Release date:2021-06-30
Last modified:2022-01-12
Method:ELECTRON MICROSCOPY (4 Å)
Cite:TMEM120A contains a specific coenzyme A-binding site and might not mediate poking- or stretch-induced channel activities in cells.
Elife, 10, 2021
7F3T
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BU of 7f3t by Molmil
Cryo-EM structure of human TMEM120A in the CoASH-bound state
Descriptor: COENZYME A, Transmembrane protein 120A
Authors:Song, D.F, Rong, Y, Liu, Z.F.
Deposit date:2021-06-17
Release date:2021-06-30
Last modified:2022-01-12
Method:ELECTRON MICROSCOPY (3.69 Å)
Cite:TMEM120A contains a specific coenzyme A-binding site and might not mediate poking- or stretch-induced channel activities in cells.
Elife, 10, 2021
7CBB
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BU of 7cbb by Molmil
Crystal structure of SbnC in the biosynthesis of staphyloferrin B
Descriptor: ADENOSINE MONOPHOSPHATE, IucA/IucC family siderophore biosynthesis protein
Authors:Tang, J, Ju, Y, Zhou, H.
Deposit date:2020-06-11
Release date:2020-09-23
Last modified:2020-10-28
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Structural and Biochemical Characterization of SbnC as a Representative Type B Siderophore Synthetase.
Acs Chem.Biol., 15, 2020
7D60
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BU of 7d60 by Molmil
Cryo-EM Structure of human CALHM5 in the presence of rubidium red
Descriptor: 1,2-DIOCTANOYL-SN-GLYCERO-3-PHOSPHATE, Calcium homeostasis modulator protein 5
Authors:Liu, J, Guan, F.H, Wu, J, Wan, F.T, Lei, M, Ye, S.
Deposit date:2020-09-28
Release date:2020-12-23
Method:ELECTRON MICROSCOPY (2.61 Å)
Cite:Cryo-EM structures of human calcium homeostasis modulator 5.
Cell Discov, 6, 2020
7D65
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BU of 7d65 by Molmil
Cryo-EM Structure of human CALHM5 in the presence of Ca2+
Descriptor: 1,2-DIOCTANOYL-SN-GLYCERO-3-PHOSPHATE, Calcium homeostasis modulator protein 5
Authors:Liu, J, Guan, F.H, Wu, J, Wan, F.T, Lei, M, Ye, S.
Deposit date:2020-09-29
Release date:2020-12-23
Method:ELECTRON MICROSCOPY (2.94 Å)
Cite:Cryo-EM structures of human calcium homeostasis modulator 5.
Cell Discov, 6, 2020
7D61
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BU of 7d61 by Molmil
Cryo-EM Structure of human CALHM5 in the presence of EDTA
Descriptor: 1,2-DIOCTANOYL-SN-GLYCERO-3-PHOSPHATE, Calcium homeostasis modulator protein 5
Authors:Liu, J, Guan, F.H, Wu, J, Wan, F.T, Lei, M, Ye, S.
Deposit date:2020-09-28
Release date:2020-12-23
Method:ELECTRON MICROSCOPY (2.8 Å)
Cite:Cryo-EM structures of human calcium homeostasis modulator 5.
Cell Discov, 6, 2020
5XVA
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BU of 5xva by Molmil
Crystal Structure of PAK4 in complex with inhibitor CZH216
Descriptor: ETHANOL, Serine/threonine-protein kinase PAK 4, [6-chloranyl-4-[(5-methyl-1H-pyrazol-3-yl)amino]quinazolin-2-yl]-[(3R)-3-methylpiperazin-1-yl]methanone
Authors:Zhao, F, Li, H.
Deposit date:2017-06-27
Release date:2018-02-07
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.847 Å)
Cite:Structure-Based Design of 6-Chloro-4-aminoquinazoline-2-carboxamide Derivatives as Potent and Selective p21-Activated Kinase 4 (PAK4) Inhibitors.
J. Med. Chem., 61, 2018
5XVG
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BU of 5xvg by Molmil
Crystal Structure of PAK4 in complex with inhibitor CZH226
Descriptor: 1,2-ETHANEDIOL, ETHANOL, Serine/threonine-protein kinase PAK 4, ...
Authors:Zhao, F, Li, H.
Deposit date:2017-06-27
Release date:2018-02-07
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Structure-Based Design of 6-Chloro-4-aminoquinazoline-2-carboxamide Derivatives as Potent and Selective p21-Activated Kinase 4 (PAK4) Inhibitors.
J. Med. Chem., 61, 2018
5XVF
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BU of 5xvf by Molmil
Crystal Structure of PAK4 in complex with inhibitor CZH062
Descriptor: 2-(4-azanylpiperidin-1-yl)-6-chloranyl-N-(1-methylimidazol-4-yl)quinazolin-4-amine, Serine/threonine-protein kinase PAK 4
Authors:Zhao, F, Li, H.
Deposit date:2017-06-27
Release date:2018-02-07
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.655 Å)
Cite:Structure-Based Design of 6-Chloro-4-aminoquinazoline-2-carboxamide Derivatives as Potent and Selective p21-Activated Kinase 4 (PAK4) Inhibitors.
J. Med. Chem., 61, 2018
5YAD
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BU of 5yad by Molmil
Crystal structure of Marf1 Lotus domain from Mus musculus
Descriptor: GLYCEROL, Meiosis regulator and mRNA stability factor 1, SULFATE ION
Authors:Yao, Q.Q, Wu, B.X, Ma, J.B.
Deposit date:2017-08-31
Release date:2018-10-03
Last modified:2018-11-14
Method:X-RAY DIFFRACTION (1.76 Å)
Cite:Ribonuclease activity of MARF1 controls oocyte RNA homeostasis and genome integrity in mice.
Proc. Natl. Acad. Sci. U.S.A., 115, 2018
5YAA
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BU of 5yaa by Molmil
Crystal structure of Marf1 NYN domain from Mus musculus
Descriptor: GLYCEROL, Meiosis regulator and mRNA stability factor 1
Authors:Yao, Q.Q, Wu, B.X, Ma, J.B.
Deposit date:2017-08-31
Release date:2018-10-03
Last modified:2018-11-14
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:Ribonuclease activity of MARF1 controls oocyte RNA homeostasis and genome integrity in mice.
Proc. Natl. Acad. Sci. U.S.A., 115, 2018
5HMS
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BU of 5hms by Molmil
X-ray structure of human recombinant 5-aminolaevulinic acid dehydratase (hrALAD).
Descriptor: Delta-aminolevulinic acid dehydratase, ZINC ION
Authors:Butler, D, Erskine, P.T, Cooper, J.B, Shoolingin-Jordan, P.M.
Deposit date:2016-01-17
Release date:2016-01-27
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Structural studies of substrate and product complexes of 5-aminolaevulinic acid dehydratase from humans, Escherichia coli and the hyperthermophile Pyrobaculum calidifontis.
Acta Crystallogr D Struct Biol, 73, 2017
5HNR
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BU of 5hnr by Molmil
The X-ray structure of octameric human native 5-aminolaevulinic acid dehydratase.
Descriptor: DELTA-AMINO VALERIC ACID, Delta-aminolevulinic acid dehydratase, SULFATE ION, ...
Authors:Mills-Davies, N.L, Thompson, D, Shoolingin-Jordan, P.M, Erskine, P.T, Cooper, J.B.
Deposit date:2016-01-18
Release date:2016-01-27
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.83 Å)
Cite:Structural studies of substrate and product complexes of 5-aminolaevulinic acid dehydratase from humans, Escherichia coli and the hyperthermophile Pyrobaculum calidifontis.
Acta Crystallogr D Struct Biol, 73, 2017
3DX3
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BU of 3dx3 by Molmil
Golgi alpha-Mannosidase II in complex with Mannostatin analog (1R,2R,3S,4R,5R)-5-aminocyclopentane-1,2,3,4-tetraol
Descriptor: (1R,2R,3S,4R,5R)-5-aminocyclopentane-1,2,3,4-tetrol, (4R)-2-METHYLPENTANE-2,4-DIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Kuntz, D.A, Rose, D.R.
Deposit date:2008-07-23
Release date:2009-07-07
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (1.42 Å)
Cite:The molecular basis of inhibition of Golgi alpha-mannosidase II by mannostatin A.
Chembiochem, 10, 2009
3DX0
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BU of 3dx0 by Molmil
Golgi alpha-Mannosidase II in complex with Mannostatin A at pH 5.75
Descriptor: (1R,2R,3R,4S,5R)-4-AMINO-5-(METHYLTHIO)CYCLOPENTANE-1,2,3-TRIOL, (4S)-2-METHYL-2,4-PENTANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Kuntz, D.A, Rose, D.R.
Deposit date:2008-07-23
Release date:2009-07-07
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:The molecular basis of inhibition of Golgi alpha-mannosidase II by mannostatin A.
Chembiochem, 10, 2009
3DX4
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BU of 3dx4 by Molmil
Golgi alpha-Mannosidase II in complex with Mannostatin analog (1R,2R,3R,4S,5R)-4-amino-5-methoxycyclopentane-1,2,3-triol
Descriptor: (1R,2R,3R,4S,5R)-4-amino-5-methoxycyclopentane-1,2,3-triol, (4R)-2-METHYLPENTANE-2,4-DIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Kuntz, D.A, Rose, D.R.
Deposit date:2008-07-23
Release date:2009-07-07
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (1.38 Å)
Cite:The molecular basis of inhibition of Golgi alpha-mannosidase II by mannostatin A.
Chembiochem, 10, 2009
3DX1
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BU of 3dx1 by Molmil
Golgi alpha-Mannosidase II in complex with Mannostatin analog (1S,2S,3R,4R)-4-aminocyclopentane-1,2,3-triol
Descriptor: (1S,2S,3R,4R)-4-aminocyclopentane-1,2,3-triol, (4R)-2-METHYLPENTANE-2,4-DIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Kuntz, D.A, Rose, D.R.
Deposit date:2008-07-23
Release date:2009-07-07
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (1.21 Å)
Cite:The molecular basis of inhibition of Golgi alpha-mannosidase II by mannostatin A.
Chembiochem, 10, 2009
6LQE
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BU of 6lqe by Molmil
Crystal structure of Arabidopsis ARID5 PHD finger in complex with H3K4me3 peptide
Descriptor: 15-mer peptide from Histone H3.2, AT-rich interactive domain-containing protein 4, ZINC ION
Authors:Liu, R, Du, J.
Deposit date:2020-01-13
Release date:2020-06-03
Last modified:2020-08-19
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Dual Recognition of H3K4me3 and DNA by the ISWI Component ARID5 Regulates the Floral Transition in Arabidopsis.
Plant Cell, 32, 2020
6LQF
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BU of 6lqf by Molmil
Crystal structure of Arabidopsis ARID5 ARID-PHD cassette in complex with H3K4me3 peptide and DNA
Descriptor: 15-mer peptide from Histone H3.2, AT-rich interactive domain-containing protein 4, DNA (5'-D(*TP*TP*TP*AP*GP*AP*TP*CP*TP*AP*AP*A)-3'), ...
Authors:Liu, R, Du, J.
Deposit date:2020-01-13
Release date:2020-06-03
Last modified:2020-08-19
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Dual Recognition of H3K4me3 and DNA by the ISWI Component ARID5 Regulates the Floral Transition in Arabidopsis.
Plant Cell, 32, 2020
7SIU
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BU of 7siu by Molmil
Crystal structure of HPK1 (MAP4K1) complex with inhibitor A-745
Descriptor: 6-[(5R)-5-benzamidocyclohex-1-en-1-yl]-3-[(1-methyl-1H-pyrazol-4-yl)amino]pyrazine-2-carboxamide, Mitogen-activated protein kinase kinase kinase kinase 1, SULFATE ION
Authors:Longenecker, K.L, Korepanova, A, Qiu, W.
Deposit date:2021-10-14
Release date:2022-03-02
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.786 Å)
Cite:The HPK1 Inhibitor A-745 Verifies the Potential of Modulating T Cell Kinase Signaling for Immunotherapy.
Acs Chem.Biol., 17, 2022
7T6T
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BU of 7t6t by Molmil
Structure of the human FPR1-Gi complex with fMLFII
Descriptor: Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, Guanine nucleotide-binding protein G(I)/G(S)/G(T) subunit beta-1, Guanine nucleotide-binding protein G(i) subunit alpha-1, ...
Authors:Zhuang, Y.W.
Deposit date:2021-12-14
Release date:2022-03-30
Last modified:2022-10-19
Method:ELECTRON MICROSCOPY (3.2 Å)
Cite:Molecular recognition of formylpeptides and diverse agonists by the formylpeptide receptors FPR1 and FPR2.
Nat Commun, 13, 2022
7T6V
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BU of 7t6v by Molmil
Structure of the human FPR2-Gi complex with fMLFII
Descriptor: Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, Guanine nucleotide-binding protein G(I)/G(S)/G(T) subunit beta-1, Guanine nucleotide-binding protein G(i) subunit alpha-1, ...
Authors:Zhuang, Y.W.
Deposit date:2021-12-14
Release date:2022-03-30
Last modified:2022-10-19
Method:ELECTRON MICROSCOPY (3.1 Å)
Cite:Molecular recognition of formylpeptides and diverse agonists by the formylpeptide receptors FPR1 and FPR2.
Nat Commun, 13, 2022

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