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7PG0
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BU of 7pg0 by Molmil
Low resolution Cryo-EM structure of full-length insulin receptor bound to 3 insulin with visible ddm micelle, conf 1
分子名称: Insulin, Isoform Short of Insulin receptor
著者Nielsen, J.A, Slaaby, R, Boesen, T, Hummelshoj, T, Brandt, J, Schluckebier, G, Nissen, P.
登録日2021-08-12
公開日2022-02-02
最終更新日2024-10-23
実験手法ELECTRON MICROSCOPY (7.6 Å)
主引用文献Structural Investigations of Full-Length Insulin Receptor Dynamics and Signalling.
J.Mol.Biol., 434, 2022
4Q90
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BU of 4q90 by Molmil
Crystal structure of 4-methylpyridine-2(1H)-thione bound to human carbonic anhydrase II
分子名称: 4-methylpyridine-2(1H)-thione, Carbonic anhydrase 2, DIMETHYL SULFOXIDE, ...
著者Martin, D.P, Cohen, S.M.
登録日2014-04-28
公開日2015-03-11
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.54 Å)
主引用文献Exploring the influence of the protein environment on metal-binding pharmacophores.
J.Med.Chem., 57, 2014
6U7H
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BU of 6u7h by Molmil
Cryo-EM structure of the HCoV-229E spike glycoprotein
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, alpha-D-mannopyranose-(1-2)-alpha-D-mannopyranose-(1-3)-[alpha-D-mannopyranose-(1-3)-alpha-D-mannopyranose-(1-6)]beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ...
著者Li, Z, Benlekbir, S, Rubinstein, J.L, Rini, J.M.
登録日2019-09-02
公開日2019-11-13
最終更新日2024-10-23
実験手法ELECTRON MICROSCOPY (3.1 Å)
主引用文献The human coronavirus HCoV-229E S-protein structure and receptor binding.
Elife, 8, 2019
6CNO
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BU of 6cno by Molmil
Cryo-EM structure of the human SK4/calmodulin channel complex in the Ca2+ bound state II
分子名称: CALCIUM ION, Calmodulin-1, Intermediate conductance calcium-activated potassium channel protein 4
著者Lee, C.H, MacKinnon, R.
登録日2018-03-08
公開日2018-05-02
最終更新日2025-05-14
実験手法ELECTRON MICROSCOPY (4.7 Å)
主引用文献Activation mechanism of a human SK-calmodulin channel complex elucidated by cryo-EM structures.
Science, 360, 2018
7RRE
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BU of 7rre by Molmil
Carbonic Anhydrase II in complex with Beta-Galactose-2C
分子名称: 2-[1-(1,1,3-trioxo-2,3-dihydro-1H-1lambda~6~,2-benzothiazol-6-yl)-1H-1,2,3-triazol-4-yl]ethyl beta-L-gulopyranoside, Carbonic anhydrase 2, GLYCEROL, ...
著者McKenna, R, Combs, J.E.
登録日2021-08-09
公開日2022-08-24
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.44 Å)
主引用文献Inhibition of Carbonic Anhydrase IX and Monocarboxylate Transporters 1 and 4 in breast cancer via novel inhibition with Beta-Galactose 2C
To Be Published
6U8X
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BU of 6u8x by Molmil
Crystal structure of DNMT3B-DNMT3L in complex with CpApG DNA
分子名称: CpApG DNA (25-MER), DNA (cytosine-5)-methyltransferase 3-like, DNA (cytosine-5)-methyltransferase 3B, ...
著者Gao, L, Song, J.
登録日2019-09-06
公開日2020-06-10
最終更新日2024-12-25
実験手法X-RAY DIFFRACTION (2.95063877 Å)
主引用文献Comprehensive structure-function characterization of DNMT3B and DNMT3A reveals distinctive de novo DNA methylation mechanisms.
Nat Commun, 11, 2020
7PG4
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BU of 7pg4 by Molmil
Low resolution Cryo-EM structure of the full-length insulin receptor bound to 2 insulin, conf 3
分子名称: Insulin, Isoform Short of Insulin receptor
著者Nielsen, J.A, Slaaby, R, Boesen, T, Hummelshoj, T, Brandt, J, Schluckebier, G, Nissen, P.
登録日2021-08-12
公開日2022-02-02
最終更新日2024-11-06
実験手法ELECTRON MICROSCOPY (9.1 Å)
主引用文献Structural Investigations of Full-Length Insulin Receptor Dynamics and Signalling.
J.Mol.Biol., 434, 2022
1ZVM
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BU of 1zvm by Molmil
Crystal structure of human CD38: cyclic-ADP-ribosyl synthetase/NAD+ glycohydrolase
分子名称: ADP-ribosyl cyclase 1, SULFATE ION
著者Shi, W, Yang, T, Almo, S.C, Schramm, V.L, Sauve, A.
登録日2005-06-02
公開日2006-06-06
最終更新日2024-10-30
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Crystal structure of human CD38: Cyclic-ADP-ribosyl synthetase/NAD+ glycohydrolase
To be Published
4QBM
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BU of 4qbm by Molmil
Crystal structure of human BAZ2A bromodomain in complex with a diacetylated histone 4 peptide (H4K16acK20ac)
分子名称: 1,2-ETHANEDIOL, Bromodomain adjacent to zinc finger domain protein 2A, histone H4 peptide with sequence Gly-Ala-Lys(ac)-Arg-His-Arg-Lys(ac)-Val-Leu
著者Tallant, C, Nunez-Alonso, G, Picaud, S, Filippakopoulos, P, Krojer, T, Williams, E, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Knapp, S, Structural Genomics Consortium (SGC)
登録日2014-05-08
公開日2014-05-21
最終更新日2024-11-20
実験手法X-RAY DIFFRACTION (1.65 Å)
主引用文献Molecular basis of histone tail recognition by human TIP5 PHD finger and bromodomain of the chromatin remodeling complex NoRC.
Structure, 23, 2015
7PG3
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BU of 7pg3 by Molmil
Low resolution Cryo-EM structure of the full-length insulin receptor bound to 3 insulin, conf 2
分子名称: Insulin, Isoform Short of Insulin receptor
著者Nielsen, J.A, Slaaby, R, Boesen, T, Hummelshoj, T, Brandt, J, Schluckebier, G, Nissen, P.
登録日2021-08-12
公開日2022-02-02
最終更新日2024-11-20
実験手法ELECTRON MICROSCOPY (7.3 Å)
主引用文献Structural Investigations of Full-Length Insulin Receptor Dynamics and Signalling.
J.Mol.Biol., 434, 2022
6CR8
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BU of 6cr8 by Molmil
Ternary complex crystal structure of DNA polymerase Beta with a dideoxy terminated primer with CHCL (R & S isomers), beta, gamma dATP analogue
分子名称: 5'-O-[(R)-{[(R)-[(R)-chloro(phosphono)methyl](hydroxy)phosphoryl]oxy}(hydroxy)phosphoryl]-2'-deoxyadenosine, CHLORIDE ION, DNA polymerase beta, ...
著者Batra, V.K, Wilson, S.H.
登録日2018-03-16
公開日2018-07-04
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (2.05 Å)
主引用文献Mapping Functional Substrate-Enzyme Interactions in the pol beta Active Site through Chemical Biology: Structural Responses to Acidity Modification of Incoming dNTPs.
Biochemistry, 57, 2018
6CS2
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BU of 6cs2 by Molmil
SARS Spike Glycoprotein - human ACE2 complex, Stabilized variant, all ACE2-bound particles
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Angiotensin-converting enzyme 2, ...
著者Kirchdoerfer, R.N, Wang, N, Pallesen, J, Turner, H.L, Cottrell, C.A, McLellan, J.S, Ward, A.B.
登録日2018-03-19
公開日2018-04-11
最終更新日2024-10-16
実験手法ELECTRON MICROSCOPY (4.4 Å)
主引用文献Stabilized coronavirus spikes are resistant to conformational changes induced by receptor recognition or proteolysis.
Sci Rep, 8, 2018
6CUA
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BU of 6cua by Molmil
Structure of human DNA polymerase beta complexed with 8-ClG in the template base paired with incoming non-hydrolyzable GTP and MANGANESE
分子名称: 2'-deoxy-5'-O-[(R)-hydroxy{[(R)-hydroxy(phosphonooxy)phosphoryl]amino}phosphoryl]guanosine, DNA (5'-D(*CP*CP*GP*AP*CP*(CGM)P*TP*CP*GP*CP*AP*TP*CP*AP*GP*C)-3'), DNA (5'-D(*GP*CP*TP*GP*AP*TP*GP*CP*GP*A)-3'), ...
著者Koag, M.-C, Lee, S.
登録日2018-03-24
公開日2019-03-27
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (2.17 Å)
主引用文献Structure of human DNA polymerase beta complexed with 8-ClG in the template base paired with incoming non-hydrolyzable GTP and MANGANESE
To Be Published
4ZL5
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BU of 4zl5 by Molmil
Crystal structure of the PmFTN variant E44H soaked in iron (45 min)
分子名称: FE (III) ION, Ferritin
著者Pfaffen, S, Murphy, M.E.P.
登録日2015-05-01
公開日2015-09-30
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献A Diatom Ferritin Optimized for Iron Oxidation but Not Iron Storage.
J.Biol.Chem., 290, 2015
7PUT
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BU of 7put by Molmil
Crystal structure of Thioredoxin Reductase from Brugia Malayi in complex with NADP(H)
分子名称: (4S)-2-METHYL-2,4-PENTANEDIOL, 2'-MONOPHOSPHOADENOSINE-5'-DIPHOSPHATE, FLAVIN-ADENINE DINUCLEOTIDE, ...
著者Fata, F, Ardini, M, Silvestri, I, Gabriele, F, Ippoliti, R, Gencheva, R, Cheng, Q, Arner, E.S.J, Angelucci, F, Williams, D.L.
登録日2021-09-30
公開日2022-04-06
最終更新日2024-11-13
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Biochemical and structural characterizations of thioredoxin reductase selenoproteins of the parasitic filarial nematodes Brugia malayi and Onchocerca volvulus.
Redox Biol, 51, 2022
7RRF
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BU of 7rrf by Molmil
Carbonic Anhydrase IX-mimic in complex with Beta-Galactose_2C
分子名称: 2-[1-(1,1,3-trioxo-2,3-dihydro-1H-1lambda~6~,2-benzothiazol-6-yl)-1H-1,2,3-triazol-4-yl]ethyl beta-L-gulopyranoside, Carbonic anhydrase 2, ZINC ION
著者Combs, J.E, McKenna, R.
登録日2021-08-09
公開日2022-08-24
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.45 Å)
主引用文献Inhibition of Carbonic Anhydrase IX and Monocarboxylate Transporters 1 and 4 in breast cancer via novel inhibition with Beta-Galactose 2C
To Be Published
1ZWY
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BU of 1zwy by Molmil
Crystal structure of protein VC0702 from Vibrio cholerae
分子名称: Hypothetical UPF0244 protein VC0702
著者Chang, C, Wu, R, Joachimiak, A, Midwest Center for Structural Genomics (MCSG)
登録日2005-06-06
公開日2005-07-19
最終更新日2024-10-16
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Crystal structure of protein VC0702 from Vibrio cholerae
To be Published
4PYG
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BU of 4pyg by Molmil
Transglutaminase2 complexed with GTP
分子名称: GUANOSINE-5'-TRIPHOSPHATE, Protein-glutamine gamma-glutamyltransferase 2
著者Park, H.H, Jang, T.H.
登録日2014-03-27
公開日2015-02-11
最終更新日2024-10-30
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Crystal structure of transglutaminase 2 with GTP complex and amino acid sequence evidence of evolution of GTP binding site.
Plos One, 9, 2014
1ZYR
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BU of 1zyr by Molmil
Structure of Thermus thermophilus RNA polymerase holoenzyme in complex with the antibiotic streptolydigin
分子名称: DNA-directed RNA polymerase alpha chain, DNA-directed RNA polymerase beta chain, DNA-directed RNA polymerase omega chain, ...
著者Tuske, S, Sarafianos, S.G, Wang, X, Hudson, B, Sineva, E, Mukhopadhyay, J, Birktoft, J.J, Leroy, O, Ismail, S, Clark, A.D, Dharia, C, Napoli, A, Laptenko, O, Lee, J, Borukhov, S, Ebright, R.H, Arnold, E.
登録日2005-06-10
公開日2005-09-13
最終更新日2024-11-20
実験手法X-RAY DIFFRACTION (3 Å)
主引用文献Inhibition of bacterial RNA polymerase by streptolydigin: stabilization of a straight-bridge-helix active-center conformation.
Cell(Cambridge,Mass.), 122, 2005
6U18
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BU of 6u18 by Molmil
Directed evolution of a biosensor selective for the macrolide antibiotic clarithromycin
分子名称: CITRATE ANION, CLARITHROMYCIN, Erythromycin resistance repressor protein
著者Li, Y, Reed, M, Wright, H.T, Cropp, T.A, Williams, G.
登録日2019-08-15
公開日2020-08-19
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Development of Genetically Encoded Biosensors for Reporting the Methyltransferase-Dependent Biosynthesis of Semisynthetic Macrolide Antibiotics.
Acs Synth Biol, 2021
4Q07
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BU of 4q07 by Molmil
Crystal structure of chimeric carbonic anhydrase IX with inhibitor
分子名称: 3-(cyclooctylamino)-2,5,6-trifluoro-4-[(2-hydroxyethyl)sulfonyl]benzenesulfonamide, BICINE, Carbonic anhydrase 2, ...
著者Smirnov, A, Manakova, E, Grazulis, S.
登録日2014-04-01
公開日2015-01-28
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.15 Å)
主引用文献Discovery and characterization of novel selective inhibitors of carbonic anhydrase IX.
J.Med.Chem., 57, 2014
6U3Q
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BU of 6u3q by Molmil
The atomic structure of a human adeno-associated virus capsid isolate (AAVhu69/AAVv66)
分子名称: Capsid protein VP1
著者Hsu, H.-L, Brown, A, Loveland, A, Tai, P, Korostelev, A, Gao, G.
登録日2019-08-22
公開日2020-05-27
最終更新日2024-03-20
実験手法ELECTRON MICROSCOPY (2.46 Å)
主引用文献Structural characterization of a novel human adeno-associated virus capsid with neurotropic properties.
Nat Commun, 11, 2020
4QEB
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BU of 4qeb by Molmil
Dcps in complex with covalent inhibitor targeting Tyrosine
分子名称: 3-{[(2,4-diaminoquinazolin-5-yl)oxy]methyl}benzenesulfonic acid, PHOSPHATE ION, m7GpppX diphosphatase
著者Liu, S.
登録日2014-05-15
公開日2015-05-20
最終更新日2024-10-30
実験手法X-RAY DIFFRACTION (3.21 Å)
主引用文献Human Dcps in complex with covalent inhibitor
To be Published
6D03
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BU of 6d03 by Molmil
Cryo-EM structure of a Plasmodium vivax invasion complex essential for entry into human reticulocytes; one molecule of parasite ligand.
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(2-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ...
著者Gruszczyk, J, Huang, R.K, Hong, C, Yu, Z, Tham, W.H.
登録日2018-04-10
公開日2018-06-20
最終更新日2024-11-13
実験手法ELECTRON MICROSCOPY (3.68 Å)
主引用文献Cryo-EM structure of an essential Plasmodium vivax invasion complex.
Nature, 559, 2018
6D1M
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BU of 6d1m by Molmil
Design, synthesis, and X-ray of selenides bearing benzenesulfonamide moiety with neuropathic pain modulating effects
分子名称: 4-(cyclohexylselanyl)benzene-1-sulfonamide, Carbonic anhydrase 2, GLYCEROL, ...
著者Peat, T.S, Angeli, A, di Cesare Mannelli, L, Micheli, L, Ghelardini, C, Supuran, C.T.
登録日2018-04-12
公開日2018-06-13
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (1.21 Å)
主引用文献Design, synthesis and X-ray crystallography of selenides bearing benzenesulfonamide moiety with neuropathic pain modulating effects.
Eur J Med Chem, 154, 2018

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