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6OE1
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BU of 6oe1 by Molmil
Benzensulfonamides bearing spyrohydantoin moieties act as potent inhibitors of human carbonic anhydrases II and VII and show neuropathic pain attenuating effects
Descriptor: 2-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-(4-sulfamoylphenyl)acetamide, Carbonic anhydrase 2, GLYCEROL, ...
Authors:Peat, T.S.
Deposit date:2019-03-27
Release date:2019-06-12
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.45 Å)
Cite:Benzensulfonamides bearing spyrohydantoin moieties act as potent inhibitors of human carbonic anhydrases II and VII and show neuropathic pain attenuating effects.
Eur.J.Med.Chem., 177, 2019
6OE0
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BU of 6oe0 by Molmil
Benzensulfonamides bearing spyrohydantoin moieties act as potent inhibitors of human carbonic anhydrases II and VII and show neuropathic pain attenuating effects
Descriptor: 2-(2,4-dioxo-1,3-diazaspiro[4.6]undecan-3-yl)-N-(4-sulfamoylphenyl)acetamide, Carbonic anhydrase 2, GLYCEROL, ...
Authors:Peat, T.S.
Deposit date:2019-03-27
Release date:2019-06-12
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.3 Å)
Cite:Benzensulfonamides bearing spyrohydantoin moieties act as potent inhibitors of human carbonic anhydrases II and VII and show neuropathic pain attenuating effects.
Eur.J.Med.Chem., 177, 2019
6ODZ
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BU of 6odz by Molmil
Benzensulfonamides bearing spyrohydantoin moieties act as potent inhibitors of human carbonic anhydrases II and VII and show neuropathic pain attenuating effects
Descriptor: 2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-(4-sulfamoylphenyl)acetamide, Carbonic anhydrase 2, GLYCEROL, ...
Authors:Peat, T.S.
Deposit date:2019-03-27
Release date:2019-06-12
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.3 Å)
Cite:Benzensulfonamides bearing spyrohydantoin moieties act as potent inhibitors of human carbonic anhydrases II and VII and show neuropathic pain attenuating effects.
Eur.J.Med.Chem., 177, 2019
8DYP
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BU of 8dyp by Molmil
Crystal structure of human cystine transporter cystinosin
Descriptor: (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, Cystinosin, Nanobody P10, ...
Authors:Guo, X, Feng, L.
Deposit date:2022-08-04
Release date:2022-11-16
Last modified:2024-10-23
Method:X-RAY DIFFRACTION (3.4 Å)
Cite:Structure and mechanism of human cystine exporter cystinosin.
Cell, 185, 2022
4YI3
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BU of 4yi3 by Molmil
Crystal structure of Gpb in complex with 4a
Descriptor: DIMETHYL SULFOXIDE, Glycogen phosphorylase, muscle form, ...
Authors:Kantsadi, A.L, Chatzileontiadou, D.S.M, Stravodimos, G.A, Leonidas, D.D.
Deposit date:2015-02-27
Release date:2015-11-18
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Glycogen phosphorylase as a target for type 2 diabetes: synthetic, biochemical, structural and computational evaluation of novel N-acyl-N -( beta-D-glucopyranosyl) urea inhibitors.
Curr Top Med Chem, 15, 2015
7URF
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BU of 7urf by Molmil
Human HHAT H379C in complex with SHH N-terminal peptide
Descriptor: 3H02 heavy chain, 3H02 light chain, Digitonin, ...
Authors:Liu, Y, Qi, X, Li, X.
Deposit date:2022-04-21
Release date:2022-07-20
Last modified:2024-11-20
Method:ELECTRON MICROSCOPY (2.8 Å)
Cite:Mechanisms and inhibition of Porcupine-mediated Wnt acylation.
Nature, 607, 2022
7URE
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BU of 7ure by Molmil
Human PORCN in complex with palmitoleoylated WNT3A peptide
Descriptor: 2C11 heavy chain, 2C11 light chain, Digitonin, ...
Authors:Liu, Y, Qi, X, Li, X.
Deposit date:2022-04-21
Release date:2022-07-20
Last modified:2024-12-25
Method:ELECTRON MICROSCOPY (3.19 Å)
Cite:Mechanisms and inhibition of Porcupine-mediated Wnt acylation.
Nature, 607, 2022
7URA
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BU of 7ura by Molmil
Human PORCN in complex with Palmitoleoyl-CoA
Descriptor: 2C11 heavy chain, 2C11 light chain, CHOLESTEROL, ...
Authors:Liu, Y, Qi, X, Li, X.
Deposit date:2022-04-21
Release date:2022-07-20
Last modified:2024-11-13
Method:ELECTRON MICROSCOPY (3.11 Å)
Cite:Mechanisms and inhibition of Porcupine-mediated Wnt acylation.
Nature, 607, 2022
7URC
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BU of 7urc by Molmil
Human PORCN in complex with LGK974
Descriptor: 2-[(2P)-2',3-dimethyl[2,4'-bipyridin]-5-yl]-N-[(5P)-5-(pyrazin-2-yl)pyridin-2-yl]acetamide, 2C11 heavy chain, 2C11 light chain, ...
Authors:Liu, Y, Qi, X, Li, X.
Deposit date:2022-04-21
Release date:2022-07-20
Last modified:2024-10-23
Method:ELECTRON MICROSCOPY (3.14 Å)
Cite:Mechanisms and inhibition of Porcupine-mediated Wnt acylation.
Nature, 607, 2022
7URD
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BU of 7urd by Molmil
Human PORCN in complex with LGK974 and WNT3A peptide
Descriptor: 2-[(2P)-2',3-dimethyl[2,4'-bipyridin]-5-yl]-N-[(5P)-5-(pyrazin-2-yl)pyridin-2-yl]acetamide, 2C11 heavy chain, 2C11 light chain, ...
Authors:Liu, Y, Qi, X, Li, X.
Deposit date:2022-04-21
Release date:2022-07-20
Last modified:2024-11-20
Method:ELECTRON MICROSCOPY (2.92 Å)
Cite:Mechanisms and inhibition of Porcupine-mediated Wnt acylation.
Nature, 607, 2022
7VOI
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BU of 7voi by Molmil
Structure of the human CNOT1(MIF4G)-CNOT6L-CNOT7 complex
Descriptor: CCR4-NOT transcription complex subunit 1, CCR4-NOT transcription complex subunit 6-like, CCR4-NOT transcription complex subunit 7
Authors:Bartlam, M, Zhang, Q.
Deposit date:2021-10-13
Release date:2022-06-01
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (4.38 Å)
Cite:Structure of the human Ccr4-Not nuclease module using X-ray crystallography and electron paramagnetic resonance spectroscopy distance measurements.
Protein Sci., 31, 2022
4YI5
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BU of 4yi5 by Molmil
Crystal structure of Gpb in complex with 4b
Descriptor: Glycogen phosphorylase, muscle form, INOSINIC ACID, ...
Authors:Kantsadi, A.L, Chatzileontiadou, D.S.M, Stravodimos, G.A, Leonidas, D.D.
Deposit date:2015-02-27
Release date:2015-11-18
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Glycogen phosphorylase as a target for type 2 diabetes: synthetic, biochemical, structural and computational evaluation of novel N-acyl-N -( beta-D-glucopyranosyl) urea inhibitors.
Curr Top Med Chem, 15, 2015
4ZIA
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BU of 4zia by Molmil
Crystal Structure of STAT3 N-terminal domain
Descriptor: FORMIC ACID, MAGNESIUM ION, NICKEL (II) ION, ...
Authors:Hu, T, Chopra, R.
Deposit date:2015-04-28
Release date:2015-07-29
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Impact of the N-Terminal Domain of STAT3 in STAT3-Dependent Transcriptional Activity.
Mol.Cell.Biol., 35, 2015
8DKE
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BU of 8dke by Molmil
Cryo-EM structure of cystinosin in a cytosol-open state
Descriptor: Fab 3H5 Heavy chain, Fab 3H5 Kappa chain, Isoform 2 of Cystinosin
Authors:Schmiege, P, Li, X.
Deposit date:2022-07-05
Release date:2022-09-21
Last modified:2024-10-23
Method:ELECTRON MICROSCOPY (3.18 Å)
Cite:Structure and mechanism of human cystine exporter cystinosin.
Cell, 185, 2022
8DKW
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BU of 8dkw by Molmil
Cryo-EM structure of cystinosin N288K mutant in a cytosol-open state at pH5.0
Descriptor: Fab 3H5 Heavy Chain, Fab 3H5 Kappa Chain, Isoform 2 of Cystinosin
Authors:Schmiege, P, Li, X.
Deposit date:2022-07-06
Release date:2022-09-21
Last modified:2024-10-16
Method:ELECTRON MICROSCOPY (3.09 Å)
Cite:Structure and mechanism of human cystine exporter cystinosin.
Cell, 185, 2022
8DKI
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BU of 8dki by Molmil
Cryo-EM structure of cystinosin in a lumen-open state
Descriptor: Fab 3H5 Heavy Chain, Fab 3H5 Kappa chain, Isoform 2 of Cystinosin
Authors:Schmiege, P, Li, X.
Deposit date:2022-07-05
Release date:2022-09-21
Last modified:2024-10-23
Method:ELECTRON MICROSCOPY (3.32 Å)
Cite:Structure and mechanism of human cystine exporter cystinosin.
Cell, 185, 2022
8DKX
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BU of 8dkx by Molmil
Cryo-EM structure of cystinosin N288K mutant in a cytosol-open state at pH7.5
Descriptor: Fab 3H5 Heavy Chain, Fab 3H5 Kappa Chain, Isoform 2 of Cystinosin
Authors:Schmiege, P, Li, X.
Deposit date:2022-07-06
Release date:2022-09-21
Last modified:2024-11-06
Method:ELECTRON MICROSCOPY (3 Å)
Cite:Structure and mechanism of human cystine exporter cystinosin.
Cell, 185, 2022
8DKM
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BU of 8dkm by Molmil
Cryo-EM structure of cystine-bound cystinosin in a lumen-open state
Descriptor: Fab 3H5 Heavy Chain, Fab 3H5 Kappa chain, Isoform 2 of Cystinosin, ...
Authors:Schmiege, P, Li, X.
Deposit date:2022-07-05
Release date:2022-09-21
Last modified:2024-10-23
Method:ELECTRON MICROSCOPY (3.39 Å)
Cite:Structure and mechanism of human cystine exporter cystinosin.
Cell, 185, 2022
5N5K
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BU of 5n5k by Molmil
Human catalytic MMP-12 in complex with 5-(1,2-dithiolan-3-yl)-N-(3-hydroxypropyl)pentanamide
Descriptor: 5-[(3~{S})-1,2-dithiolan-3-yl]-~{N}-(3-oxidanylpropyl)pentanamide, ACETOHYDROXAMIC ACID, CALCIUM ION, ...
Authors:Calderone, V.
Deposit date:2017-02-14
Release date:2017-11-01
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Lipoyl-Homotaurine Derivative (ADM_12) Reverts Oxaliplatin-Induced Neuropathy and Reduces Cancer Cells Malignancy by Inhibiting Carbonic Anhydrase IX (CAIX).
J. Med. Chem., 60, 2017
5D9E
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BU of 5d9e by Molmil
Crystal Structure of the Proline-rich Lasso Peptide Caulosegnin II
Descriptor: CHLORIDE ION, Caulosegnin II
Authors:Fage, C.D, Hegemann, J.D, Harms, K, Marahiel, M.A.
Deposit date:2015-08-18
Release date:2016-02-17
Last modified:2025-04-09
Method:X-RAY DIFFRACTION (0.859 Å)
Cite:The ring residue proline 8 is crucial for the thermal stability of the lasso peptide caulosegnin II.
Mol Biosyst, 12, 2016
7SV1
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BU of 7sv1 by Molmil
Carbonic Anhydrase IX-mimic Complexed with 3-((2-((Naphthalen-2-ylmethyl)(4-sulfamoylphenethyl)amino)-2-oxoethyl)(phenethyl)amino)propanoic acid
Descriptor: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Carbonic anhydrase 2, N~2~-(3-aminopropyl)-N-[(4-fluorophenyl)methyl]-N~2~-(2-phenylethyl)-N-[2-(4-sulfamoylphenyl)ethyl]glycinamide, ...
Authors:Combs, J.E, McKenna, R.
Deposit date:2021-11-18
Release date:2022-04-06
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.559 Å)
Cite:The three-tails approach as a new strategy to improve selectivity of action of sulphonamide inhibitors against tumour-associated carbonic anhydrase IX and XII.
J Enzyme Inhib Med Chem, 37, 2022
7SV8
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BU of 7sv8 by Molmil
Carbonic Anhydrase IX-mimic Complexed with 3-((2-((Furan-2-ylmethyl)(4-sulfamoylphenethyl)amino)-2-oxoethyl)(phenethyl)amino)propanoic acid
Descriptor: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Carbonic anhydrase 2, N-(2-{[(naphthalen-2-yl)methyl][2-(4-sulfamoylphenyl)ethyl]amino}-2-oxoethyl)-N-(2-phenylethyl)-beta-alanine, ...
Authors:Combs, J.E, McKenna, R.
Deposit date:2021-11-18
Release date:2022-04-06
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.388 Å)
Cite:The three-tails approach as a new strategy to improve selectivity of action of sulphonamide inhibitors against tumour-associated carbonic anhydrase IX and XII.
J Enzyme Inhib Med Chem, 37, 2022
7SUY
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BU of 7suy by Molmil
Carbonic Anhydrase IX-mimic Complexed with 2-((3-Aminopropyl)(phenethyl)amino)-N-(4-fluorobenzyl)-N-(4-sulfamoylphenethyl)acetamide
Descriptor: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Carbonic anhydrase 2, N-[(furan-2-yl)methyl]-N-[2-(4-sulfamoylphenyl)ethyl]glycinamide, ...
Authors:Combs, J.E, McKenna, R.
Deposit date:2021-11-18
Release date:2022-04-06
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.405 Å)
Cite:The three-tails approach as a new strategy to improve selectivity of action of sulphonamide inhibitors against tumour-associated carbonic anhydrase IX and XII.
J Enzyme Inhib Med Chem, 37, 2022
7SUW
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BU of 7suw by Molmil
Carbonic Anhydrase IX-mimic with 2-((3-Aminopropyl)(phenethyl)amino)-N-(furan-2-ylmethyl)-N-(4-sulfamoylphenethyl)acetamide
Descriptor: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Carbonic anhydrase 2, N-(2-{[(furan-2-yl)methyl][2-(4-sulfamoylphenyl)ethyl]amino}-2-oxoethyl)-N-(2-phenylethyl)-beta-alanine, ...
Authors:McKenna, R, Combs, J.E.
Deposit date:2021-11-18
Release date:2022-04-06
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.456 Å)
Cite:The three-tails approach as a new strategy to improve selectivity of action of sulphonamide inhibitors against tumour-associated carbonic anhydrase IX and XII.
J Enzyme Inhib Med Chem, 37, 2022
5N5J
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BU of 5n5j by Molmil
Human MMP12 in complex with 3-(5-(1,2-dithiolan-3-yl)pentanamido)propane-1-sulfonate
Descriptor: 3-[5-[(3~{S})-1,2-dithiolan-3-yl]pentanoylamino]propane-1-sulfonic acid, ACETOHYDROXAMIC ACID, CALCIUM ION, ...
Authors:Calderone, V.
Deposit date:2017-02-14
Release date:2017-11-01
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Lipoyl-Homotaurine Derivative (ADM_12) Reverts Oxaliplatin-Induced Neuropathy and Reduces Cancer Cells Malignancy by Inhibiting Carbonic Anhydrase IX (CAIX).
J. Med. Chem., 60, 2017

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