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4KT1
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BU of 4kt1 by Molmil
Complex of R-spondin 1 with LGR4 extracellular domain
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Leucine-rich repeat-containing G-protein coupled receptor 4, ...
Authors:Wang, X.Q, Wang, D.L.
Deposit date:2013-05-19
Release date:2013-06-19
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.497 Å)
Cite:Structural basis for R-spondin recognition by LGR4/5/6 receptors
Genes Dev., 27, 2013
4KS2
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BU of 4ks2 by Molmil
Influenza Neuraminidase in complex with antiviral compound (3S,4R,5R)-4-(acetylamino)-3-carbamimidamido-5-(pentan-3-yloxy)cyclohex-1-ene-1-carboxylic acid
Descriptor: (3S,4R,5R)-4-(acetylamino)-3-carbamimidamido-5-(pentan-3-yloxy)cyclohex-1-ene-1-carboxylic acid, CALCIUM ION, Neuraminidase
Authors:Kerry, P.S, Russell, R.J.M.
Deposit date:2013-05-17
Release date:2013-10-30
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (2.595 Å)
Cite:Structural basis for a class of nanomolar influenza A neuraminidase inhibitors.
Sci Rep, 3, 2013
4KS4
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BU of 4ks4 by Molmil
Influenza Neuraminidase in complex with antiviral compound (3S,4R,5R)-4-(acetylamino)-3-{4-[(1R)-1-hydroxypropyl]-1H-1,2,3-triazol-1-yl}-5-(pentan-3-yloxy)cyclohex-1-ene-1-carboxylic acid
Descriptor: (3S,4R,5R)-4-(acetylamino)-3-{4-[(1R)-1-hydroxypropyl]-1H-1,2,3-triazol-1-yl}-5-(pentan-3-yloxy)cyclohex-1-ene-1-carboxylic acid, CALCIUM ION, Neuraminidase
Authors:Kerry, P.S, Russell, R.J.M.
Deposit date:2013-05-17
Release date:2013-10-30
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (2.495 Å)
Cite:Structural basis for a class of nanomolar influenza A neuraminidase inhibitors.
Sci Rep, 3, 2013
8U37
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BU of 8u37 by Molmil
Crystal structure of the catalytic domain of human PKC alpha (D463N, V568I, S657E) in complex with NVP-CJL037 at 2.48-A resolution
Descriptor: (6M)-3-amino-N-{4-[(3R,4S)-4-amino-3-methoxypiperidin-1-yl]pyridin-3-yl}-6-[3-(trifluoromethoxy)pyridin-2-yl]pyrazine-2-carboxamide, MAGNESIUM ION, Protein kinase C alpha type
Authors:Romanowski, M.J, Lam, J, Visser, M.
Deposit date:2023-09-07
Release date:2024-01-24
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.48 Å)
Cite:Discovery of Darovasertib (NVP-LXS196), a Pan-PKC Inhibitor for the Treatment of Metastatic Uveal Melanoma.
J.Med.Chem., 67, 2024
4ZW5
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BU of 4zw5 by Molmil
X-ray crystal structure of PfA-M1 in complex with hydroxamic acid-based inhibitor 9f
Descriptor: M1 family aminopeptidase, MAGNESIUM ION, ZINC ION, ...
Authors:Drinkwater, N, McGowan, S.
Deposit date:2015-05-19
Release date:2016-03-30
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Potent dual inhibitors of Plasmodium falciparum M1 and M17 aminopeptidases through optimization of S1 pocket interactions.
Eur.J.Med.Chem., 110, 2016
4ZX5
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BU of 4zx5 by Molmil
X-ray crystal structure of PfA-M1 in complex with hydroxamic acid-based inhibitor 10q
Descriptor: DIMETHYL SULFOXIDE, GLYCEROL, M1 family aminopeptidase, ...
Authors:Drinkwater, N, McGowan, S.
Deposit date:2015-05-20
Release date:2016-03-30
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Potent dual inhibitors of Plasmodium falciparum M1 and M17 aminopeptidases through optimization of S1 pocket interactions.
Eur.J.Med.Chem., 110, 2016
4ZW6
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BU of 4zw6 by Molmil
X-ray crystal structure of PfA-M1 in complex with hydroxamic acid-based inhibitor 9q
Descriptor: DIMETHYL SULFOXIDE, GLYCEROL, M1 family aminopeptidase, ...
Authors:Drinkwater, N, McGowan, S.
Deposit date:2015-05-19
Release date:2016-03-30
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Potent dual inhibitors of Plasmodium falciparum M1 and M17 aminopeptidases through optimization of S1 pocket interactions.
Eur.J.Med.Chem., 110, 2016
4ZW3
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BU of 4zw3 by Molmil
X-ray crystal structure of PfA-M1 in complex with hydroxamic acid-based inhibitor 9b
Descriptor: GLYCEROL, M1 family aminopeptidase, MAGNESIUM ION, ...
Authors:Drinkwater, N, McGowan, S.
Deposit date:2015-05-19
Release date:2016-03-30
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Potent dual inhibitors of Plasmodium falciparum M1 and M17 aminopeptidases through optimization of S1 pocket interactions.
Eur.J.Med.Chem., 110, 2016
4ZX4
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BU of 4zx4 by Molmil
X-ray crystal structure of PfA-M1 in complex with hydroxamic acid-based inhibitor 10o
Descriptor: DIMETHYL SULFOXIDE, GLYCEROL, M1 family aminopeptidase, ...
Authors:Drinkwater, N, McGowan, S.
Deposit date:2015-05-20
Release date:2016-03-30
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Potent dual inhibitors of Plasmodium falciparum M1 and M17 aminopeptidases through optimization of S1 pocket interactions.
Eur.J.Med.Chem., 110, 2016
4ZX8
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BU of 4zx8 by Molmil
X-ray crystal structure of PfA-M17 in complex with hydroxamic acid-based inhibitor 9b
Descriptor: CARBONATE ION, DIMETHYL SULFOXIDE, GLYCEROL, ...
Authors:Drinkwater, N, McGowan, S.
Deposit date:2015-05-20
Release date:2016-03-30
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Potent dual inhibitors of Plasmodium falciparum M1 and M17 aminopeptidases through optimization of S1 pocket interactions.
Eur.J.Med.Chem., 110, 2016
4ZW7
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BU of 4zw7 by Molmil
X-ray crystal structure of PfA-M1 in complex with hydroxamic acid-based inhibitor 9m
Descriptor: DIMETHYL SULFOXIDE, GLYCEROL, M1 family aminopeptidase, ...
Authors:Drinkwater, N, McGowan, S.
Deposit date:2015-05-19
Release date:2016-03-30
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Potent dual inhibitors of Plasmodium falciparum M1 and M17 aminopeptidases through optimization of S1 pocket interactions.
Eur.J.Med.Chem., 110, 2016
4ZYQ
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BU of 4zyq by Molmil
X-ray crystal structure of PfA-M17 in complex with hydroxamic acid-based inhibitor 10s
Descriptor: CARBONATE ION, N-{(1R)-2-(hydroxyamino)-1-[3'-(N'-hydroxycarbamimidoyl)biphenyl-4-yl]-2-oxoethyl}-2,2-dimethylpropanamide, PENTAETHYLENE GLYCOL, ...
Authors:Drinkwater, N, McGowan, S.
Deposit date:2015-05-22
Release date:2016-03-30
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Potent dual inhibitors of Plasmodium falciparum M1 and M17 aminopeptidases through optimization of S1 pocket interactions.
Eur.J.Med.Chem., 110, 2016
4ZW8
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BU of 4zw8 by Molmil
X-ray crystal structure of PfA-M1 in complex with hydroxamic acid-based inhibitor 9r
Descriptor: DIMETHYL SULFOXIDE, GLYCEROL, M1 family aminopeptidase, ...
Authors:Drinkwater, N, McGowan, S.
Deposit date:2015-05-19
Release date:2016-03-30
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2 Å)
Cite:Potent dual inhibitors of Plasmodium falciparum M1 and M17 aminopeptidases through optimization of S1 pocket interactions.
Eur.J.Med.Chem., 110, 2016
4ZX6
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BU of 4zx6 by Molmil
X-ray crystal structure of PfA-M1 in complex with hydroxamic acid-based inhibitor 10s
Descriptor: DIMETHYL SULFOXIDE, GLYCEROL, M1 family aminopeptidase, ...
Authors:Drinkwater, N, McGowan, S.
Deposit date:2015-05-20
Release date:2016-03-30
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.05 Å)
Cite:Potent dual inhibitors of Plasmodium falciparum M1 and M17 aminopeptidases through optimization of S1 pocket interactions.
Eur.J.Med.Chem., 110, 2016
4ZY0
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BU of 4zy0 by Molmil
X-ray crystal structure of PfA-M17 in complex with hydroxamic acid-based inhibitor 10q
Descriptor: CARBONATE ION, GLYCEROL, N-{(1R)-2-(hydroxyamino)-2-oxo-1-[4-(thiophen-3-yl)phenyl]ethyl}-2,2-dimethylpropanamide, ...
Authors:Drinkwater, N, McGowan, S.
Deposit date:2015-05-21
Release date:2016-03-30
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Potent dual inhibitors of Plasmodium falciparum M1 and M17 aminopeptidases through optimization of S1 pocket interactions.
Eur.J.Med.Chem., 110, 2016
4ZY2
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BU of 4zy2 by Molmil
X-ray crystal structure of PfA-M17 in complex with hydroxamic acid-based inhibitor 10o
Descriptor: CARBONATE ION, DIMETHYL SULFOXIDE, N-[(1R)-2-(hydroxyamino)-2-oxo-1-(3',4',5'-trifluorobiphenyl-4-yl)ethyl]-2,2-dimethylpropanamide, ...
Authors:Drinkwater, N, McGowan, S.
Deposit date:2015-05-21
Release date:2016-03-30
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Potent dual inhibitors of Plasmodium falciparum M1 and M17 aminopeptidases through optimization of S1 pocket interactions.
Eur.J.Med.Chem., 110, 2016
4ZX9
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BU of 4zx9 by Molmil
X-ray crystal structure of PfA-M17 in complex with hydroxamic acid-based inhibitor 10b
Descriptor: CARBONATE ION, DIMETHYL SULFOXIDE, GLYCEROL, ...
Authors:Drinkwater, N, McGowan, S.
Deposit date:2015-05-20
Release date:2016-03-30
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Potent dual inhibitors of Plasmodium falciparum M1 and M17 aminopeptidases through optimization of S1 pocket interactions.
Eur.J.Med.Chem., 110, 2016
4V67
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BU of 4v67 by Molmil
Crystal structure of a translation termination complex formed with release factor RF2.
Descriptor: 16S RRNA, 23S RRNA, 30S ribosomal protein S10, ...
Authors:Korostelev, A, Asahara, H, Lancaster, L, Laurberg, M, Hirschi, A, Noller, H.F.
Deposit date:2008-10-27
Release date:2014-07-09
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (3 Å)
Cite:Crystal structure of a translation termination complex formed with release factor RF2.
Proc.Natl.Acad.Sci.USA, 105, 2008
5KWJ
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BU of 5kwj by Molmil
M.tb Ag85C modified at C209 by amino-ebselen
Descriptor: Diacylglycerol acyltransferase/mycolyltransferase Ag85C, ~{N}-(4-aminophenyl)-2-selanyl-benzamide
Authors:Goins, C.M, Ronning, D.R.
Deposit date:2016-07-18
Release date:2017-03-29
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.01 Å)
Cite:Exploring Covalent Allosteric Inhibition of Antigen 85C from Mycobacterium tuberculosis by Ebselen Derivatives.
ACS Infect Dis, 3, 2017
4V3O
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BU of 4v3o by Molmil
Designed armadillo repeat protein with 5 internal repeats, 2nd generation C-cap and 3rd generation N-cap.
Descriptor: ACETATE ION, CALCIUM ION, YIII_M5_AII
Authors:Reichen, C, Madhurantakam, C, Pluckthun, A, Mittl, P.
Deposit date:2014-10-20
Release date:2016-01-13
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2 Å)
Cite:Structures of Designed Armadillo-Repeat Proteins Show Propagation of Inter-Repeat Interface Effects
Acta Crystallogr.,Sect.D, 72, 2016
5KUJ
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BU of 5kuj by Molmil
Human mitochondrial calcium uniporter (residues 72-189) crystal structure with magnesium.
Descriptor: Calcium uniporter protein, mitochondrial, MAGNESIUM ION
Authors:Mok, M.C.Y, Lee, S.K, Junop, M.S, Stathopulos, P.B.
Deposit date:2016-07-13
Release date:2016-09-07
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Structural Insights into Mitochondrial Calcium Uniporter Regulation by Divalent Cations.
Cell Chem Biol, 23, 2016
5KWI
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BU of 5kwi by Molmil
M.tb Ag85C modified at C209 by adamantyl-ebselen
Descriptor: Diacylglycerol acyltransferase/mycolyltransferase Ag85C, ~{N}-(1-adamantyl)-2-selanyl-benzamide
Authors:Goins, C.M, Ronning, D.R.
Deposit date:2016-07-18
Release date:2017-03-29
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.3 Å)
Cite:Exploring Covalent Allosteric Inhibition of Antigen 85C from Mycobacterium tuberculosis by Ebselen Derivatives.
ACS Infect Dis, 3, 2017
4V3R
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BU of 4v3r by Molmil
Designed armadillo repeat protein with 5 internal repeats, 2nd generation C-cap and 3rd generation N-cap.
Descriptor: MAGNESIUM ION, YIII_M5_AII
Authors:Reichen, C, Madhurantakam, C, Pluckthun, A, Mittl, P.
Deposit date:2014-10-20
Release date:2016-01-13
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Structures of Designed Armadillo-Repeat Proteins Show Propagation of Inter-Repeat Interface Effects
Acta Crystallogr.,Sect.D, 72, 2016
8SXS
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BU of 8sxs by Molmil
Crystal structure of a Nudix hydrolase effector from Magnaporthe oryzae
Descriptor: Nudix hydrolase domain-containing protein
Authors:McCombe, C.L, Ericsson, D.J, Williams, S.J.
Deposit date:2023-05-23
Release date:2023-11-22
Method:X-RAY DIFFRACTION (1.57 Å)
Cite:Plant pathogenic fungi hijack phosphate starvation signaling with conserved enzymatic effectors
Biorxiv, 2023
5KUG
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BU of 5kug by Molmil
Human mitochondrial calcium uniporter (residues 72-189) crystal structure with lithium
Descriptor: Calcium uniporter protein, mitochondrial
Authors:Mok, M.C.Y, Lee, S.K, Junop, M.S, Stathopulos, P.B.
Deposit date:2016-07-13
Release date:2016-09-07
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Structural Insights into Mitochondrial Calcium Uniporter Regulation by Divalent Cations.
Cell Chem Biol, 23, 2016

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