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4PA9
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BU of 4pa9 by Molmil
Structure of NavMS in complex with channel blocking compound
Descriptor: BROMIDE ION, DODECAETHYLENE GLYCOL, HEGA-10, ...
Authors:Naylor, C.E, Bagneris, C, Wallace, B.A.
Deposit date:2014-04-07
Release date:2014-06-04
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (3.43 Å)
Cite:Prokaryotic NavMs channel as a structural and functional model for eukaryotic sodium channel antagonism.
Proc.Natl.Acad.Sci.USA, 111, 2014
4P9O
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BU of 4p9o by Molmil
Complex of Voltage-gated ion channel in a the presence of channel blocking compound
Descriptor: BROMIDE ION, HEGA-10, Ion transport protein
Authors:Naylor, C.E, Bagneris, C, Wallace, B.A.
Deposit date:2014-04-04
Release date:2014-06-04
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (2.89 Å)
Cite:Prokaryotic NavMs channel as a structural and functional model for eukaryotic sodium channel antagonism.
Proc.Natl.Acad.Sci.USA, 111, 2014
6W35
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BU of 6w35 by Molmil
A new Autotaxin Inhibitor for the Treatment of Idiopathic Pulmonary Fibrosis: A Clinical Candidate Discovered Using DNA-Encoded Chemistry
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-fluoranyl-~{N}-[(2~{R})-1-[1-(2~{H}-indazol-5-yl)-3-methyl-2,4-bis(oxidanylidene)-1,3,8-triazaspiro[4.5]decan-8-yl]-3-methyl-1-oxidanylidene-butan-2-yl]-5-(trifluoromethyl)benzamide, CALCIUM ION, ...
Authors:Cuozzo, J.W.
Deposit date:2020-03-09
Release date:2020-07-08
Last modified:2024-10-16
Method:X-RAY DIFFRACTION (1.98 Å)
Cite:Novel Autotaxin Inhibitor for the Treatment of Idiopathic Pulmonary Fibrosis: A Clinical Candidate Discovered Using DNA-Encoded Chemistry.
J.Med.Chem., 63, 2020
7N7S
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BU of 7n7s by Molmil
Crystal Structure of Hydroxymethylglutaryl-CoA reductase from Elizabethkingia anophelis NUHP1
Descriptor: 1,2-ETHANEDIOL, CITRIC ACID, Hydroxymethylglutaryl-CoA reductase, ...
Authors:Seattle Structural Genomics Center for Infectious Disease, Seattle Structural Genomics Center for Infectious Disease (SSGCID)
Deposit date:2021-06-11
Release date:2021-06-23
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Crystal Structure of Hydroxymethylglutaryl-CoA reductase from Elizabethkingia anophelis NUHP1
To be published
4PA7
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BU of 4pa7 by Molmil
Structure of NavMS pore and C-terminal domain crystallised in presence of channel blocking compound
Descriptor: DODECAETHYLENE GLYCOL, HEGA-10, Ion transport protein, ...
Authors:Naylor, C.E, Bagneris, C, Wallace, B.A.
Deposit date:2014-04-07
Release date:2014-06-04
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (3.02 Å)
Cite:Prokaryotic NavMs channel as a structural and functional model for eukaryotic sodium channel antagonism.
Proc.Natl.Acad.Sci.USA, 111, 2014
6UWT
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BU of 6uwt by Molmil
Clostridium difficile binary toxin translocase CDTb tetradecamer in symmetric conformation
Descriptor: ADP-ribosyltransferase binding component, CALCIUM ION
Authors:Xu, X, Pozharski, E, des Georges, A.
Deposit date:2019-11-05
Release date:2020-01-22
Last modified:2024-03-06
Method:ELECTRON MICROSCOPY (3.1 Å)
Cite:Structure of the cell-binding component of theClostridium difficilebinary toxin reveals a di-heptamer macromolecular assembly.
Proc.Natl.Acad.Sci.USA, 117, 2020
7CYL
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BU of 7cyl by Molmil
Crystal structure of Karyopherin-beta2 in complex with FUS PY-NLS(P525L)
Descriptor: RNA-binding protein FUS, Transportin-1
Authors:Yoshizawa, T, Chook, Y.M.
Deposit date:2020-09-03
Release date:2021-02-24
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Mechanism of karyopherin-beta 2 binding and nuclear import of ALS variants FUS(P525L) and FUS(R495X).
Sci Rep, 11, 2021
4JTD
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BU of 4jtd by Molmil
Crystal structure of Kv1.2-2.1 paddle chimera channel in complex with Lys27Met mutant of Charybdotoxin
Descriptor: (1R)-2-{[(S)-{[(2S)-2,3-dihydroxypropyl]oxy}(hydroxy)phosphoryl]oxy}-1-[(hexadecanoyloxy)methyl]ethyl (9Z)-octadec-9-enoate, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, POTASSIUM ION, ...
Authors:Banerjee, A, Lee, A, Campbell, E, MacKinnon, R.
Deposit date:2013-03-23
Release date:2013-06-12
Last modified:2024-11-20
Method:X-RAY DIFFRACTION (2.54 Å)
Cite:Structure of a pore-blocking toxin in complex with a eukaryotic voltage-dependent K(+) channel.
Elife, 2, 2013
9J3S
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BU of 9j3s by Molmil
De Novo Designed Cell-Penetrating Peptide Self-Assembly Featuring Distinctive Tertiary Structure
Descriptor: DLE-DLY-DLY-DLE-DCY-DLY-DLE-DLE-DLY-DLY-DLE-DCY-DLY-DLE-DAL-GLY
Authors:Park, J, Hyun, S, Lee, S.J.
Deposit date:2024-08-08
Release date:2025-06-25
Method:X-RAY DIFFRACTION (1.68 Å)
Cite:De Novo Designed Cell-Penetrating Peptide Self-Assembly Featuring Distinctive Tertiary Structure
Acs Omega, 9, 2024
6ELY
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BU of 6ely by Molmil
Crystal Structure of Mistletoe Lectin I (ML-I) from Viscum album in Complex with 4-N-Furfurylcytosine at 2.84 A Resolution
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 4-N-Furfurylcytosine, ...
Authors:Ahmad, M.S, Rasheed, S, Falke, S, Khaliq, B, Perbandt, M, Choudhary, M.I, Markiewicz, W.T, Barciszewski, J, Betzel, C.
Deposit date:2017-09-30
Release date:2018-05-02
Last modified:2024-11-06
Method:X-RAY DIFFRACTION (2.84 Å)
Cite:Crystal Structure of Mistletoe Lectin I (ML-I) from Viscum album in Complex with 4-N-Furfurylcytosine at 2.85 angstrom Resolution.
Med Chem, 14, 2018
6F6R
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BU of 6f6r by Molmil
Crystal structure of human Caspase-1 with N-{3-[1-((S)-2-Hydroxy-5-oxo-tetrahydro-furan-3-ylcarbamoyl)-ethyl]-1-methyl-2,4-dioxo-1,2,3,4-tetrahydro-pyrimidin-5-yl}-4-(quinoxalin-2-ylamino)-benzamide
Descriptor: (3~{S})-3-[[(2~{R})-2-[3-methyl-2,6-bis(oxidanylidene)-5-[[4-(quinoxalin-2-ylamino)phenyl]carbonylamino]pyrimidin-1-yl]propanoyl]amino]-4-oxidanyl-butanoic acid, Caspase-1, SULFATE ION
Authors:Fournier, J.F, Clary, L, Chambon, S, Dumais, L, Harris, C.S, Millois-Barbuis, C, Pierre, R, Talano, S, Thoreau, E, Aubert, J, Aurelly, M, Bouix-Peter, C, Brethon, A, Chantalat, L, Christin, O, Comino, C, El-Bazbouz, G, Ghilini, A.L, Isabet, T, Lardy, C, Luzy, A.P, Mathieu, C, Mebrouk, K, Orfila, D, Pascau, J, Reverse, K, Roche, D, Rodeschini, V, Hennequin, L.F.
Deposit date:2017-12-06
Release date:2018-05-02
Last modified:2024-11-06
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Rational Drug Design of Topically Administered Caspase 1 Inhibitors for the Treatment of Inflammatory Acne.
J. Med. Chem., 61, 2018
6TI9
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BU of 6ti9 by Molmil
Human transthyretin (TTR) complexed with (E)-3-(((3,5-dibromo-2-hydroxybenzylidene)amino)oxy)propanoic acid.
Descriptor: 3-[(~{E})-[3,5-bis(bromanyl)-2-oxidanyl-phenyl]methylideneamino]oxypropanoic acid, GLYCEROL, S-1,2-PROPANEDIOL, ...
Authors:Ciccone, L, Nencetti, S, Orlandini, E, Rossello, A, Legrand, P, Shepard, W.
Deposit date:2019-11-22
Release date:2020-10-21
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.45 Å)
Cite:Monoaryl derivatives as transthyretin fibril formation inhibitors: Design, synthesis, biological evaluation and structural analysis.
Bioorg.Med.Chem., 28, 2020
6TJN
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BU of 6tjn by Molmil
Human transthyretin (TTR) complexed with (E)-3-(((4-hydroxybenzylidene)amino)oxy)propanoic acid
Descriptor: 3-[(~{E})-(4-hydroxyphenyl)methylideneamino]oxypropanoic acid, Transthyretin
Authors:Ciccone, L, Shepard, W, Nencetti, S, Orlandini, E, Rossello, A.
Deposit date:2019-11-26
Release date:2020-12-16
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.702 Å)
Cite:Monoaryl derivatives as transthyretin fibril formation inhibitors: Design, synthesis, biological evaluation and structural analysis.
Bioorg.Med.Chem., 28, 2020
5JR4
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BU of 5jr4 by Molmil
Crystal structure of FimH A27V/V163A from E. coli UTI89 bound to FimG N-terminal extension
Descriptor: CALCIUM ION, FimG N-terminal extension, GLYCEROL, ...
Authors:Kalas, V, Hultgren, S.J.
Deposit date:2016-05-05
Release date:2017-02-22
Last modified:2024-10-23
Method:X-RAY DIFFRACTION (2.596 Å)
Cite:Evolutionary fine-tuning of conformational ensembles in FimH during host-pathogen interactions.
Sci Adv, 3, 2017
4UYK
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BU of 4uyk by Molmil
Crystal structure of a Signal Recognition Particle Alu domain in the elongation arrest conformation
Descriptor: SIGNAL RECOGNITION PARTICLE 14 KDA PROTEIN, SIGNAL RECOGNITION PARTICLE 9 KDA PROTEIN, SRP RNA
Authors:Bousset, L, Mary, C, Brooks, M.A, Scherrer, A, Strub, K, Cusack, S.
Deposit date:2014-09-01
Release date:2014-11-05
Last modified:2024-10-16
Method:X-RAY DIFFRACTION (3.22 Å)
Cite:Crystal Structure of a Signal Recognition Particle Alu Domain in the Elongation Arrest Conformation.
RNA, 20, 2014
8BQF
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BU of 8bqf by Molmil
Adenylate Kinase L107I MUTANT
Descriptor: Adenylate kinase, BIS(ADENOSINE)-5'-PENTAPHOSPHATE
Authors:Scheerer, D, Adkar, B.V, Bhattacharyya, S, Levy, D, Iljina, M, Iljina, I, Dym, O, Haran, G, Shakhnovich, E.I.
Deposit date:2022-11-21
Release date:2023-05-10
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (2.05 Å)
Cite:Allosteric communication between ligand binding domains modulates substrate inhibition in adenylate kinase.
Proc.Natl.Acad.Sci.USA, 120, 2023
3G3R
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BU of 3g3r by Molmil
Crystal structure of a eukaryotic polyphosphate polymerase in complex with AppNHp-Mn2+
Descriptor: MANGANESE (II) ION, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER, SODIUM ION, ...
Authors:Hothorn, M.
Deposit date:2009-02-02
Release date:2009-05-05
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2 Å)
Cite:Catalytic core of a membrane-associated eukaryotic polyphosphate polymerase.
Science, 324, 2009
3G3Q
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BU of 3g3q by Molmil
Crystal structure of a eukaryotic polyphosphate polymerase in complex with a phosphate polymer
Descriptor: PHOSPHATE ION, SULFATE ION, Vacuolar transporter chaperone 4
Authors:Hothorn, M, Scheffzek, K.
Deposit date:2009-02-02
Release date:2009-05-05
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.64 Å)
Cite:Catalytic core of a membrane-associated eukaryotic polyphosphate polymerase.
Science, 324, 2009
2BGL
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BU of 2bgl by Molmil
X-Ray structure of binary-Secoisolariciresinol Dehydrogenase
Descriptor: NICOTINAMIDE-ADENINE-DINUCLEOTIDE (ACIDIC FORM), RHIZOME SECOISOLARICIRESINOL DEHYDROGENASE
Authors:Youn, B, Moinuddin, S.G, Davin, L.B, Lewis, N.G, Kang, C.
Deposit date:2004-12-23
Release date:2005-01-13
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Crystal Structures of Apo-Form and Binary/Ternary Complexes of Podophyllum Secoisolariciresinol Dehydrogenase, an Enzyme Involved in Formation of Health-Protecting and Plant Defense Lignans
J.Biol.Chem., 280, 2005
5VG9
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BU of 5vg9 by Molmil
Structure of the eukaryotic intramembrane Ras methyltransferase ICMT (isoprenylcysteine carboxyl methyltransferase) without a monobody
Descriptor: Protein-S-isoprenylcysteine O-methyltransferase, S-ADENOSYL-L-HOMOCYSTEINE
Authors:Long, S.B, Diver, M.M, Pedi, L, Koide, A, Koide, S.
Deposit date:2017-04-10
Release date:2018-01-17
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (4 Å)
Cite:Atomic structure of the eukaryotic intramembrane RAS methyltransferase ICMT.
Nature, 553, 2018
2BGM
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BU of 2bgm by Molmil
X-Ray structure of ternary-Secoisolariciresinol Dehydrogenase
Descriptor: MATAIRESINOL, NICOTINAMIDE-ADENINE-DINUCLEOTIDE (ACIDIC FORM), RHIZOME SECOISOLARICIRESINOL DEHYDROGENASE
Authors:Youn, B, Moinuddin, S.G, Davin, L.B, Lewis, N.G, Kang, C.
Deposit date:2004-12-23
Release date:2005-01-13
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (2 Å)
Cite:Crystal Structures of Apo-Form and Binary/Ternary Complexes of Podophyllum Secoisolariciresinol Dehydrogenase, an Enzyme Involved in Formation of Health-Protecting and Plant Defense Lignans
J.Biol.Chem., 280, 2005
5V7P
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BU of 5v7p by Molmil
Atomic structure of the eukaryotic intramembrane Ras methyltransferase ICMT (isoprenylcysteine carboxyl methyltransferase), in complex with a monobody
Descriptor: DECANE, Protein-S-isoprenylcysteine O-methyltransferase, S-ADENOSYL-L-HOMOCYSTEINE, ...
Authors:Long, S.B, Diver, M.M, Pedi, L, Koide, A, Koide, S.
Deposit date:2017-03-20
Release date:2018-01-17
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Atomic structure of the eukaryotic intramembrane RAS methyltransferase ICMT.
Nature, 553, 2018
3G3U
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BU of 3g3u by Molmil
Crystal structure of a eukaryotic polyphosphate polymerase in complex with pyrophosphate
Descriptor: 1,2-ETHANEDIOL, PYROPHOSPHATE 2-, SULFATE ION, ...
Authors:Hothorn, M.
Deposit date:2009-02-02
Release date:2009-05-05
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.07 Å)
Cite:Catalytic core of a membrane-associated eukaryotic polyphosphate polymerase.
Science, 324, 2009
3JCS
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BU of 3jcs by Molmil
2.8 Angstrom cryo-EM structure of the large ribosomal subunit from the eukaryotic parasite Leishmania
Descriptor: 26S alpha ribosomal RNA, 26S delta ribosomal RNA, 26S epsilon ribosomal RNA, ...
Authors:Shalev-Benami, M, Zhang, Y, Matzov, D, Halfon, Y, Zackay, A, Rozenberg, H, Zimmerman, E, Bashan, A, Jaffe, C.L, Yonath, A, Skiniotis, G.
Deposit date:2016-01-21
Release date:2016-07-20
Last modified:2025-06-11
Method:ELECTRON MICROSCOPY (2.8 Å)
Cite:2.8- angstrom Cryo-EM Structure of the Large Ribosomal Subunit from the Eukaryotic Parasite Leishmania.
Cell Rep, 16, 2016
4JTC
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BU of 4jtc by Molmil
Crystal structure of Kv1.2-2.1 paddle chimera channel in complex with Charybdotoxin in Cs+
Descriptor: (1R)-2-{[(S)-{[(2S)-2,3-dihydroxypropyl]oxy}(hydroxy)phosphoryl]oxy}-1-[(hexadecanoyloxy)methyl]ethyl (9Z)-octadec-9-enoate, CESIUM ION, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, ...
Authors:Banerjee, A, Lee, A, Campbell, E, MacKinnon, R.
Deposit date:2013-03-23
Release date:2013-06-12
Last modified:2024-11-20
Method:X-RAY DIFFRACTION (2.56 Å)
Cite:Structure of a pore-blocking toxin in complex with a eukaryotic voltage-dependent K(+) channel.
Elife, 2, 2013

238582

数据于2025-07-09公开中

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