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7ZBA
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BU of 7zba by Molmil
HaloTag with Me-TRaQ-G ligand
Descriptor: 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, ...
Authors:Emmert, S, Rivera-Fuentes, P, Pojer, F, Lau, K.
Deposit date:2022-03-23
Release date:2023-02-01
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (1.23 Å)
Cite:A locally activatable sensor for robust quantification of organellar glutathione.
Nat.Chem., 15, 2023
5H6U
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BU of 5h6u by Molmil
Structure of alginate-binding protein AlgQ2 in complex with an alginate pentasaccharide
Descriptor: 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
Authors:Uenishi, K, Kaneko, A, Maruyama, Y, Mikami, B, Murata, K, Hashimoto, W.
Deposit date:2016-11-15
Release date:2017-08-09
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.006 Å)
Cite: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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BU of 7ru2 by Molmil
SARS-CoV-2-6P-Mut7 S protein (asymmetric)
Descriptor: 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
Authors:Ozorowski, G, Turner, H.L, Ward, A.B.
Deposit date:2021-08-16
Release date:2022-08-24
Last modified:2024-01-17
Method:ELECTRON MICROSCOPY (3 Å)
Cite: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
Descriptor: Sec7
Authors:Richardson, B.C, Fromme, J.C.
Deposit date:2015-12-30
Release date:2016-01-27
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (2.653 Å)
Cite:The Sec7 N-terminal regulatory domains facilitate membrane-proximal activation of the Arf1 GTPase.
Elife, 5, 2016
7RU5
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BU of 7ru5 by Molmil
CC6.30 fragment antigen binding in complex with SARS-CoV-2-6P-Mut7 S protein (non-uniform refinement)
Descriptor: 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, ...
Authors:Ozorowski, G, Turner, H.L, Ward, A.B.
Deposit date:2021-08-16
Release date:2022-08-24
Last modified:2024-01-17
Method:ELECTRON MICROSCOPY (3.6 Å)
Cite: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
Descriptor: Cysteine-free Insulin-degrading enzyme, Insulin A chain, Insulin B chain
Authors:Mancl, J.M, Liang, W.G, Tang, W.J.
Deposit date:2021-08-27
Release date:2022-08-31
Method:ELECTRON MICROSCOPY (3 Å)
Cite: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
Descriptor: Gag polyprotein, INOSITOL HEXAKISPHOSPHATE
Authors:Pornillos, O, Ganser-Pornillos, B.K, Schirra, R.T.
Deposit date:2022-09-07
Release date:2023-02-15
Last modified:2024-06-19
Method:ELECTRON MICROSCOPY (3.1 Å)
Cite:A molecular switch modulates assembly and host factor binding of the HIV-1 capsid.
Nat.Struct.Mol.Biol., 30, 2023
7A3F
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BU of 7a3f by Molmil
Crystal structure of apo DPP9
Descriptor: Dipeptidyl peptidase 9, GLYCEROL, PHOSPHATE ION
Authors:Ross, B.H, Huber, R.
Deposit date:2020-08-18
Release date:2021-06-30
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:Discovery and Development of 4-Oxo-beta-Lactams as Novel Inhibitors of Dipeptidyl Peptidases 8 and 9
To Be Published
4V2Y
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BU of 4v2y by Molmil
Cereblon isoform 4 from Magnetospirillum gryphiswaldense in complex with Thalidomide
Descriptor: CEREBLON ISOFORM 4, S-Thalidomide, ZINC ION
Authors:Hartmann, M.D, Lupas, A.N, Hernandez Alvarez, B.
Deposit date:2014-10-15
Release date:2014-12-17
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (1.4 Å)
Cite:Thalidomide Mimics Uridine Binding to an Aromatic Cage in Cereblon.
J.Struct.Biol., 188, 2014
8BBX
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BU of 8bbx by Molmil
Structure of prolyl endoprotease from Aspergillus niger CBS 109712 in space group C222(1)
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Endoprotease endo-Pro, TETRAETHYLENE GLYCOL, ...
Authors:Pijning, T, Vujicic-Zagar, A, Van der Laan, J.M, De Jong, R.M, Dijkstra, B.W.
Deposit date:2022-10-14
Release date:2023-12-20
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.7 Å)
Cite: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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BU of 8oyy by Molmil
De novo designed soluble GPCR-like fold GLF_32
Descriptor: CHLORIDE ION, De novo designed soluble GPCR-like protein, POTASSIUM ION
Authors:Pacesa, M, Correia, B.E.
Deposit date:2023-05-05
Release date:2023-10-18
Last modified:2024-08-14
Method:X-RAY DIFFRACTION (1.85 Å)
Cite: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
Descriptor: 2,3-DIHYDROXY-1,4-DITHIOBUTANE, RNA-dependent RNA polymerase
Authors:Beldon, B.S, Dzimianski, J.V, Daczkowski, C.M, Goodwin, O.Y, Pegan, S.D.
Deposit date:2018-06-28
Release date:2018-12-19
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.224 Å)
Cite: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
Descriptor: CEREBLON ISOFORM 4, S-Lenalidomide, ZINC ION
Authors:Hartmann, M.D, Lupas, A.N, Hernandez Alvarez, B.
Deposit date:2014-10-15
Release date:2014-12-17
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (1.85 Å)
Cite: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
Descriptor: ADENOSINE-5'-DIPHOSPHATE, ALUMINUM FLUORIDE, Cyclin CCL1, ...
Authors:van Eeuwen, T, Murakami, K, Li, T, Tsai, K.L.
Deposit date:2020-06-19
Release date:2021-04-28
Method:ELECTRON MICROSCOPY (3.64 Å)
Cite: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
Descriptor: 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, ...
Authors:Pijning, T, Vujicic-Zagar, A, Van der Laan, J.M, De Jong, R.M, Dijkstra, B.W.
Deposit date:2022-09-22
Release date:2023-12-20
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.42 Å)
Cite: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
Descriptor: Gag polyprotein, INOSITOL HEXAKISPHOSPHATE
Authors:Pornillos, O, Ganser-Pornillos, B.K, Schirra, R.T.
Deposit date:2022-09-07
Release date:2023-02-15
Last modified:2024-06-19
Method:ELECTRON MICROSCOPY (2.2 Å)
Cite: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
Descriptor: 16S Ribosomal RNA, 23S Ribosomal RNA, 30S ribosomal protein S10, ...
Authors:Fu, Z, Indrisiunaite, G, Kaledhonkar, S, Shah, B, Sun, M, Chen, B, Grassucci, R.A, Ehrenberg, M, Frank, J.
Deposit date:2019-05-02
Release date:2019-06-19
Last modified:2019-12-18
Method:ELECTRON MICROSCOPY (4.2 Å)
Cite: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
Descriptor: CEREBLON ISOFORM 4, S-Pomalidomide, ZINC ION
Authors:Hartmann, M.D, Lupas, A.N, Hernandez Alvarez, B.
Deposit date:2014-10-15
Release date:2014-12-17
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (1.45 Å)
Cite: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
Descriptor: (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
Authors: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.
Deposit date:2016-06-07
Release date:2016-11-16
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (2.03 Å)
Cite:Full antagonism of the estrogen receptor without a prototypical ligand side chain.
Nat. Chem. Biol., 13, 2017
6O64
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BU of 6o64 by Molmil
Crystal Structure of Arabidopsis thaliana Spermidine Synthase isoform 2 (AtSPDS2)
Descriptor: 1,2-ETHANEDIOL, ACETATE ION, DI(HYDROXYETHYL)ETHER, ...
Authors:Sekula, B, Dauter, Z.
Deposit date:2019-03-05
Release date:2019-06-05
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (2 Å)
Cite: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
Descriptor: 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, ...
Authors: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.
Deposit date:2016-06-09
Release date:2016-09-07
Last modified:2020-07-29
Method:ELECTRON MICROSCOPY (4.3 Å)
Cite: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
Descriptor: (2S)-2-hydroxybutanedioic acid, Malate dehydrogenase, mitochondrial, ...
Authors:Eo, Y.M, Han, B.G, Ahn, H.C.
Deposit date:2014-10-07
Release date:2015-11-25
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.2 Å)
Cite: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
Descriptor: CHLORIDE ION, Cobalt/magnesium transport protein CorA, sAB C12 Heavy Chain, ...
Authors:Dominik, P.K, Erramilli, S.K, Reddy, B.G, Kossiakoff, A.A.
Deposit date:2023-04-21
Release date:2023-06-07
Last modified:2023-07-26
Method:X-RAY DIFFRACTION (2.04 Å)
Cite: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
Descriptor: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 2-acetamido-2-deoxy-beta-D-glucopyranose, GLYCEROL, ...
Authors:Finton, K.A.K, Rupert, P.B, Strong, R.K.
Deposit date:2019-04-12
Release date:2020-04-15
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:A TfR-Binding Cystine-Dense Peptide Promotes Blood-Brain Barrier Penetration of Bioactive Molecules.
J.Mol.Biol., 432, 2020
6OQD
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BU of 6oqd by Molmil
Crystal structure of Mcl1 with inhibitor 8
Descriptor: (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
Authors:Huang, X.
Deposit date:2019-04-26
Release date:2019-05-15
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (1.48 Å)
Cite:AMG 176, a Selective MCL1 Inhibitor, Is Effective in Hematologic Cancer Models Alone and in Combination with Established Therapies.
Cancer Discov, 8, 2018

224004

數據於2024-08-21公開中

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