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7ZBA
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HaloTag with Me-TRaQ-G ligand
分子名称: 4-(7-azanyl-5,5-dimethyl-3-methylimino-benzo[b][1]benzosilin-10-yl)-N-[2-[2-(6-chloranylhexoxy)ethoxy]ethyl]-3-methyl-benzamide, CHLORIDE ION, GLYCEROL, ...
著者Emmert, S, Rivera-Fuentes, P, Pojer, F, Lau, K.
登録日2022-03-23
公開日2023-02-01
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (1.23 Å)
主引用文献A locally activatable sensor for robust quantification of organellar glutathione.
Nat.Chem., 15, 2023
5H6U
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Structure of alginate-binding protein AlgQ2 in complex with an alginate pentasaccharide
分子名称: AlgQ2, CALCIUM ION, beta-D-mannopyranuronic acid-(1-4)-beta-D-mannopyranuronic acid-(1-4)-beta-D-mannopyranuronic acid-(1-4)-beta-D-mannopyranuronic acid-(1-4)-beta-D-mannopyranuronic acid
著者Uenishi, K, Kaneko, A, Maruyama, Y, Mikami, B, Murata, K, Hashimoto, W.
登録日2016-11-15
公開日2017-08-09
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (2.006 Å)
主引用文献A solute-binding protein in the closed conformation induces ATP hydrolysis in a bacterial ATP-binding cassette transporter involved in the import of alginate
J. Biol. Chem., 292, 2017
7RU2
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SARS-CoV-2-6P-Mut7 S protein (asymmetric)
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, Spike glycoprotein
著者Ozorowski, G, Turner, H.L, Ward, A.B.
登録日2021-08-16
公開日2022-08-24
最終更新日2024-01-17
実験手法ELECTRON MICROSCOPY (3 Å)
主引用文献Engineering SARS-CoV-2 neutralizing antibodies for increased potency and reduced viral escape pathways.
Iscience, 25, 2022
5HAS
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BU of 5has by Molmil
Crystal structure of the N-terminal DCB-HUS domain of T. terrestris Sec7
分子名称: Sec7
著者Richardson, B.C, Fromme, J.C.
登録日2015-12-30
公開日2016-01-27
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (2.653 Å)
主引用文献The Sec7 N-terminal regulatory domains facilitate membrane-proximal activation of the Arf1 GTPase.
Elife, 5, 2016
7RU5
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CC6.30 fragment antigen binding in complex with SARS-CoV-2-6P-Mut7 S protein (non-uniform refinement)
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, CC6.30 Fab heavy chain Fv, ...
著者Ozorowski, G, Turner, H.L, Ward, A.B.
登録日2021-08-16
公開日2022-08-24
最終更新日2024-01-17
実験手法ELECTRON MICROSCOPY (3.6 Å)
主引用文献Engineering SARS-CoV-2 neutralizing antibodies for increased potency and reduced viral escape pathways.
Iscience, 25, 2022
7RZI
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BU of 7rzi by Molmil
Insulin Degrading Enzyme pC/pC
分子名称: Cysteine-free Insulin-degrading enzyme, Insulin A chain, Insulin B chain
著者Mancl, J.M, Liang, W.G, Tang, W.J.
登録日2021-08-27
公開日2022-08-31
実験手法ELECTRON MICROSCOPY (3 Å)
主引用文献Ensemble cryoEM reveals a substrate-induced shift in the conformational dynamics of human insulin degrading enzyme
To be published
8EET
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BU of 8eet by Molmil
T=1 particle HIV-1 CA M66A
分子名称: Gag polyprotein, INOSITOL HEXAKISPHOSPHATE
著者Pornillos, O, Ganser-Pornillos, B.K, Schirra, R.T.
登録日2022-09-07
公開日2023-02-15
最終更新日2024-06-19
実験手法ELECTRON MICROSCOPY (3.1 Å)
主引用文献A molecular switch modulates assembly and host factor binding of the HIV-1 capsid.
Nat.Struct.Mol.Biol., 30, 2023
4V2Y
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BU of 4v2y by Molmil
Cereblon isoform 4 from Magnetospirillum gryphiswaldense in complex with Thalidomide
分子名称: CEREBLON ISOFORM 4, S-Thalidomide, ZINC ION
著者Hartmann, M.D, Lupas, A.N, Hernandez Alvarez, B.
登録日2014-10-15
公開日2014-12-17
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (1.4 Å)
主引用文献Thalidomide Mimics Uridine Binding to an Aromatic Cage in Cereblon.
J.Struct.Biol., 188, 2014
7A3F
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BU of 7a3f by Molmil
Crystal structure of apo DPP9
分子名称: Dipeptidyl peptidase 9, GLYCEROL, PHOSPHATE ION
著者Ross, B.H, Huber, R.
登録日2020-08-18
公開日2021-06-30
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (2.9 Å)
主引用文献Discovery and Development of 4-Oxo-beta-Lactams as Novel Inhibitors of Dipeptidyl Peptidases 8 and 9
To Be Published
8BBX
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BU of 8bbx by Molmil
Structure of prolyl endoprotease from Aspergillus niger CBS 109712 in space group C222(1)
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Endoprotease endo-Pro, TETRAETHYLENE GLYCOL, ...
著者Pijning, T, Vujicic-Zagar, A, Van der Laan, J.M, De Jong, R.M, Dijkstra, B.W.
登録日2022-10-14
公開日2023-12-20
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献Structural and time-resolved mechanistic investigations of protein hydrolysis by the acidic proline-specific endoprotease from Aspergillus niger.
Protein Sci., 33, 2024
8OYY
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De novo designed soluble GPCR-like fold GLF_32
分子名称: CHLORIDE ION, De novo designed soluble GPCR-like protein, POTASSIUM ION
著者Pacesa, M, Correia, B.E.
登録日2023-05-05
公開日2023-10-18
最終更新日2024-08-14
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献Computational design of soluble and functional membrane protein analogues.
Nature, 631, 2024
6DX5
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BU of 6dx5 by Molmil
Crystal structure of the viral OTU domain protease from Farallon virus
分子名称: 2,3-DIHYDROXY-1,4-DITHIOBUTANE, RNA-dependent RNA polymerase
著者Beldon, B.S, Dzimianski, J.V, Daczkowski, C.M, Goodwin, O.Y, Pegan, S.D.
登録日2018-06-28
公開日2018-12-19
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.224 Å)
主引用文献Probing the impact of nairovirus genomic diversity on viral ovarian tumor domain protease (vOTU) structure and deubiquitinase activity.
PLoS Pathog., 15, 2019
4V30
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BU of 4v30 by Molmil
Cereblon isoform 4 from Magnetospirillum gryphiswaldense in complex with Lenalidomide
分子名称: CEREBLON ISOFORM 4, S-Lenalidomide, ZINC ION
著者Hartmann, M.D, Lupas, A.N, Hernandez Alvarez, B.
登録日2014-10-15
公開日2014-12-17
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献Thalidomide Mimics Uridine Binding to an Aromatic Cage in Cereblon.
J.Struct.Biol., 188, 2014
6XI8
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BU of 6xi8 by Molmil
Yeast TFIIK (Kin28/Ccl1/Tfb3) Complex
分子名称: ADENOSINE-5'-DIPHOSPHATE, ALUMINUM FLUORIDE, Cyclin CCL1, ...
著者van Eeuwen, T, Murakami, K, Li, T, Tsai, K.L.
登録日2020-06-19
公開日2021-04-28
実験手法ELECTRON MICROSCOPY (3.64 Å)
主引用文献Structure of TFIIK for phosphorylation of CTD of RNA polymerase II.
Sci Adv, 7, 2021
8B57
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BU of 8b57 by Molmil
Structure of prolyl endoprotease from Aspergillus niger CBS 109712
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, DI(HYDROXYETHYL)ETHER, ...
著者Pijning, T, Vujicic-Zagar, A, Van der Laan, J.M, De Jong, R.M, Dijkstra, B.W.
登録日2022-09-22
公開日2023-12-20
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (2.42 Å)
主引用文献Structural and time-resolved mechanistic investigations of protein hydrolysis by the acidic proline-specific endoprotease from Aspergillus niger.
Protein Sci., 33, 2024
8EEP
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BU of 8eep by Molmil
T=1 particle HIV-1 CA G60A/G61P
分子名称: Gag polyprotein, INOSITOL HEXAKISPHOSPHATE
著者Pornillos, O, Ganser-Pornillos, B.K, Schirra, R.T.
登録日2022-09-07
公開日2023-02-15
最終更新日2024-06-19
実験手法ELECTRON MICROSCOPY (2.2 Å)
主引用文献A molecular switch modulates assembly and host factor binding of the HIV-1 capsid.
Nat.Struct.Mol.Biol., 30, 2023
6OST
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BU of 6ost by Molmil
RF2 pre-accommodated state bound Release complex 70S at 24ms
分子名称: 16S Ribosomal RNA, 23S Ribosomal RNA, 30S ribosomal protein S10, ...
著者Fu, Z, Indrisiunaite, G, Kaledhonkar, S, Shah, B, Sun, M, Chen, B, Grassucci, R.A, Ehrenberg, M, Frank, J.
登録日2019-05-02
公開日2019-06-19
最終更新日2019-12-18
実験手法ELECTRON MICROSCOPY (4.2 Å)
主引用文献The structural basis for release-factor activation during translation termination revealed by time-resolved cryogenic electron microscopy.
Nat Commun, 10, 2019
4V2Z
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BU of 4v2z by Molmil
Cereblon isoform 4 from Magnetospirillum gryphiswaldense in complex with Pomalidomide
分子名称: CEREBLON ISOFORM 4, S-Pomalidomide, ZINC ION
著者Hartmann, M.D, Lupas, A.N, Hernandez Alvarez, B.
登録日2014-10-15
公開日2014-12-17
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (1.45 Å)
主引用文献Thalidomide Mimics Uridine Binding to an Aromatic Cage in Cereblon.
J.Struct.Biol., 188, 2014
5KCU
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BU of 5kcu by Molmil
Crystal Structure of the ER-alpha Ligand-binding Domain (Y537S) in Complex with an N-ethyl, alpha-naphthyl OBHS-N derivative
分子名称: (1S,2R,4S)-N-ethyl-5,6-bis(4-hydroxyphenyl)-N-(naphthalen-2-yl)-7-oxabicyclo[2.2.1]hept-5-ene-2-sulfonamide, Estrogen receptor, NCOA2
著者Nwachukwu, J.C, Srinivasan, S, Bruno, N.E, Dharmarajan, V, Goswami, D, Kastrati, I, Novick, S, Nowak, J, Zhou, H.B, Boonmuen, N, Zhao, Y, Min, J, Frasor, J, Katzenellenbogen, B.S, Griffin, P.R, Katzenellenbogen, J.A, Nettles, K.W.
登録日2016-06-07
公開日2016-11-16
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (2.03 Å)
主引用文献Full antagonism of the estrogen receptor without a prototypical ligand side chain.
Nat. Chem. Biol., 13, 2017
6O64
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Crystal Structure of Arabidopsis thaliana Spermidine Synthase isoform 2 (AtSPDS2)
分子名称: 1,2-ETHANEDIOL, ACETATE ION, DI(HYDROXYETHYL)ETHER, ...
著者Sekula, B, Dauter, Z.
登録日2019-03-05
公開日2019-06-05
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Spermidine Synthase (SPDS) Undergoes Concerted Structural Rearrangements Upon Ligand Binding - A Case Study of the Two SPDS Isoforms FromArabidopsis thaliana.
Front Plant Sci, 10, 2019
5KEL
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BU of 5kel by Molmil
EBOV GP in complex with variable Fab domains of IgGs c2G4 and c13C6
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, Ebola surface glycoprotein, ...
著者Pallesen, J, Murin, C.D, de Val, N, Cottrell, C.A, Hastie, K.M, Turner, H.L, Fusco, M.L, Flyak, A.I, Zeitlin, L, Crowe Jr, J.E, Andersen, K.G, Saphire, E.O, Ward, A.B.
登録日2016-06-09
公開日2016-09-07
最終更新日2020-07-29
実験手法ELECTRON MICROSCOPY (4.3 Å)
主引用文献Structures of Ebola virus GP and sGP in complex with therapeutic antibodies.
Nat Microbiol, 1, 2016
4WLF
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BU of 4wlf by Molmil
Crystal structure of L-malate bound MDH2
分子名称: (2S)-2-hydroxybutanedioic acid, Malate dehydrogenase, mitochondrial, ...
著者Eo, Y.M, Han, B.G, Ahn, H.C.
登録日2014-10-07
公開日2015-11-25
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Crystal structure of L-malate bound MDH2
To Be Published
8SLB
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BU of 8slb by Molmil
X-ray structure of CorA N-terminal domain in complex with conformation-specific synthetic antibody C12
分子名称: CHLORIDE ION, Cobalt/magnesium transport protein CorA, sAB C12 Heavy Chain, ...
著者Dominik, P.K, Erramilli, S.K, Reddy, B.G, Kossiakoff, A.A.
登録日2023-04-21
公開日2023-06-07
最終更新日2023-07-26
実験手法X-RAY DIFFRACTION (2.04 Å)
主引用文献Conformation-specific Synthetic Antibodies Discriminate Multiple Functional States of the Ion Channel CorA.
J.Mol.Biol., 435, 2023
6OKD
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BU of 6okd by Molmil
Crystal Structure of human transferrin receptor in complex with a cystine-dense peptide
分子名称: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 2-acetamido-2-deoxy-beta-D-glucopyranose, GLYCEROL, ...
著者Finton, K.A.K, Rupert, P.B, Strong, R.K.
登録日2019-04-12
公開日2020-04-15
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献A TfR-Binding Cystine-Dense Peptide Promotes Blood-Brain Barrier Penetration of Bioactive Molecules.
J.Mol.Biol., 432, 2020
6OQD
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Crystal structure of Mcl1 with inhibitor 8
分子名称: (4S,7aR,9aR,10S,15R)-6'-chloro-10-hydroxy-15-methyl-3',4',7a,8,9,9a,10,11,12,13,14,15-dodecahydro-2'H,3H,5H-spiro[1,19-(ethanediylidene)-16lambda~6~-cyclobuta[i][1,4]oxazepino[3,4-f][1,2,7]thiadiazacyclohexadecine-4,1'-naphthalene]-16,16,18(7H,17H)-trione, Induced myeloid leukemia cell differentiation protein Mcl-1
著者Huang, X.
登録日2019-04-26
公開日2019-05-15
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (1.48 Å)
主引用文献AMG 176, a Selective MCL1 Inhibitor, Is Effective in Hematologic Cancer Models Alone and in Combination with Established Therapies.
Cancer Discov, 8, 2018

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