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6A4M
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BU of 6a4m by Molmil
Structure of urate oxidase from Bacillus subtilis 168
Descriptor: GLYCEROL, Uric acid degradation bifunctional protein PucL
Authors:Jiang, Y.Y.
Deposit date:2018-06-20
Release date:2019-06-26
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Crystal Structure of Urate Oxidase from Bacillus Subtilis 168
Crystallography Reports, 64, 2019
6Z45
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BU of 6z45 by Molmil
CDK9-Cyclin-T1 complex bound by compound 24
Descriptor: (1~{S},3~{R})-3-acetamido-~{N}-[5-chloranyl-4-(5,5-dimethyl-4,6-dihydropyrrolo[1,2-b]pyrazol-3-yl)pyridin-2-yl]cyclohexane-1-carboxamide, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Cyclin-T1, ...
Authors:Ferguson, A, Collie, G.W.
Deposit date:2020-05-22
Release date:2020-12-23
Last modified:2024-05-01
Method:X-RAY DIFFRACTION (3.37 Å)
Cite:Discovery of AZD4573, a Potent and Selective Inhibitor of CDK9 That Enables Short Duration of Target Engagement for the Treatment of Hematological Malignancies.
J.Med.Chem., 63, 2020
6D7W
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BU of 6d7w by Molmil
Cryo-EM structure of the mitochondrial calcium uniporter from N. fischeri at 3.8 Angstrom resolution
Descriptor: CALCIUM ION, Mitochondrial calcium uniporter
Authors:Nguyen, N.X, Armache, J.-P, Cheng, Y, Bai, X.C.
Deposit date:2018-04-25
Release date:2018-07-11
Last modified:2024-05-15
Method:ELECTRON MICROSCOPY (3.8 Å)
Cite:Cryo-EM structure of a fungal mitochondrial calcium uniporter.
Nature, 559, 2018
7SAS
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BU of 7sas by Molmil
Cryo-EM structure of TMEM106B fibrils extracted from a FTLD-TDP patient, polymorph 3
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Transmembrane protein 106B
Authors:Cao, Q, Jiang, Y, Sawaya, M.R, Eisenberg, D.S.
Deposit date:2021-09-23
Release date:2022-03-09
Last modified:2022-05-25
Method:ELECTRON MICROSCOPY (3.7 Å)
Cite:Amyloid fibrils in FTLD-TDP are composed of TMEM106B and not TDP-43.
Nature, 605, 2022
7SAQ
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BU of 7saq by Molmil
Cryo-EM structure of TMEM106B fibrils extracted from a FTLD-TDP patient, polymorph 1
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Transmembrane protein 106B
Authors:Cao, Q, Jiang, Y, Sawaya, M.R, Eisenberg, D.S.
Deposit date:2021-09-23
Release date:2022-03-09
Last modified:2022-05-25
Method:ELECTRON MICROSCOPY (2.9 Å)
Cite:Amyloid fibrils in FTLD-TDP are composed of TMEM106B and not TDP-43.
Nature, 605, 2022
7SAR
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BU of 7sar by Molmil
Cryo-EM structure of TMEM106B fibrils extracted from a FTLD-TDP patient, polymorph 2
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Transmembrane protein 106B
Authors:Cao, Q, Jiang, Y, Sawaya, M.R, Eisenberg, D.S.
Deposit date:2021-09-23
Release date:2022-03-09
Last modified:2022-05-25
Method:ELECTRON MICROSCOPY (3.2 Å)
Cite:Amyloid fibrils in FTLD-TDP are composed of TMEM106B and not TDP-43.
Nature, 605, 2022
6FBV
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BU of 6fbv by Molmil
Single particle cryo em structure of Mycobacterium tuberculosis RNA polymerase in complex with Fidaxomicin
Descriptor: DNA-directed RNA polymerase subunit alpha, DNA-directed RNA polymerase subunit beta, DNA-directed RNA polymerase subunit beta', ...
Authors:Das, K, Lin, W, Ebright, E.
Deposit date:2017-12-19
Release date:2018-02-28
Last modified:2024-05-15
Method:ELECTRON MICROSCOPY (3.52 Å)
Cite:Structural Basis of Transcription Inhibition by Fidaxomicin (Lipiarmycin A3).
Mol. Cell, 70, 2018
6XH7
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BU of 6xh7 by Molmil
CueR-TAC without RNA
Descriptor: COPPER (II) ION, DNA-directed RNA polymerase subunit alpha, DNA-directed RNA polymerase subunit beta, ...
Authors:Liu, B, Shi, W, Yang, Y.
Deposit date:2020-06-18
Release date:2021-04-14
Last modified:2024-03-06
Method:ELECTRON MICROSCOPY (3.9 Å)
Cite:Structural basis of copper-efflux-regulator-dependent transcription activation.
Iscience, 24, 2021
6XH8
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BU of 6xh8 by Molmil
CueR-transcription activation complex with RNA transcript
Descriptor: COPPER (II) ION, DNA-directed RNA polymerase subunit alpha, DNA-directed RNA polymerase subunit beta, ...
Authors:Liu, B, Shi, W, Yang, Y.
Deposit date:2020-06-18
Release date:2021-04-14
Last modified:2024-03-06
Method:ELECTRON MICROSCOPY (4.1 Å)
Cite:Structural basis of copper-efflux-regulator-dependent transcription activation.
Iscience, 24, 2021
5KTW
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BU of 5ktw by Molmil
CREBBP bromodomain in complex with Cpd 44 (3-((5-acetyl-1-(cyclopropylmethyl)-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridin-3-yl)amino)-N-isopropylbenzamide)
Descriptor: 1,2-ETHANEDIOL, 3-[[1-(cyclopropylmethyl)-5-ethanoyl-6,7-dihydro-4~{H}-pyrazolo[4,3-c]pyridin-3-yl]amino]-~{N}-propan-2-yl-benzamide, CREB-binding protein
Authors:Murray, J.M, Boenig, G.
Deposit date:2016-07-12
Release date:2016-11-02
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (1.087 Å)
Cite:Discovery of a Potent and Selective in Vivo Probe (GNE-272) for the Bromodomains of CBP/EP300.
J. Med. Chem., 59, 2016
5ZI6
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BU of 5zi6 by Molmil
The RING domain structure of MEX-3C
Descriptor: RNA-binding E3 ubiquitin-protein ligase MEX3C, ZINC ION
Authors:Moududee, S.A, Tang, Y.
Deposit date:2018-03-14
Release date:2018-10-24
Last modified:2024-03-27
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Structural and functional characterization of hMEX-3C Ring finger domain as an E3 ubiquitin ligase
Protein Sci., 27, 2018
5KTU
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BU of 5ktu by Molmil
Crystal structure of the bromodomain of human CREBBP bound to pyrazolopiperidine scaffold
Descriptor: 1-(3-phenylazanyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)ethanone, CREB-binding protein, DIMETHYL SULFOXIDE
Authors:Jayaram, H, Poy, F, Setser, J.W, Bellon, S.F.
Deposit date:2016-07-12
Release date:2016-11-02
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.38 Å)
Cite:Discovery of a Potent and Selective in Vivo Probe (GNE-272) for the Bromodomains of CBP/EP300.
J. Med. Chem., 59, 2016
3TYV
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BU of 3tyv by Molmil
SAR development and discovery of potent indole-based inhibitors of the hepatitis C virus NS5B polymerase
Descriptor: N-(cyclopropylsulfonyl)-1-(2,5-difluorobenzyl)-6-fluoro-5-methyl-3-(2-oxo-1,2-dihydropyridin-3-yl)-1H-indole-2-carboxamide, PHOSPHATE ION, RNA-directed RNA polymerase
Authors:Lesburg, C.A, Chen, K.X.
Deposit date:2011-09-26
Release date:2012-02-01
Last modified:2024-10-16
Method:X-RAY DIFFRACTION (1.65 Å)
Cite:Structure-Activity Relationship (SAR) Development and Discovery of Potent Indole-Based Inhibitors of the Hepatitis C Virus (HCV) NS5B Polymerase.
J.Med.Chem., 55, 2012
3TYQ
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BU of 3tyq by Molmil
SAR development and discovery of potent indole-based inhibitors of the hepatitis c virus NS5B polymerase
Descriptor: 5-ethyl-1-(2-fluoro-5-nitrobenzyl)-3-(2-oxo-1,2-dihydropyridin-3-yl)-1H-indole-2-carboxylic acid, PHOSPHATE ION, RNA-directed RNA polymerase
Authors:Lesburg, C.A, Chen, K.X.
Deposit date:2011-09-26
Release date:2012-02-01
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:A Novel Class of Highly Potent Irreversible Hepatitis C Virus NS5B Polymerase Inhibitors.
J.Med.Chem., 55, 2012
8CZJ
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BU of 8czj by Molmil
A bacteria Zrt/Irt-like protein in the apo state
Descriptor: Putative membrane protein, SULFATE ION, [(Z)-octadec-9-enyl] (2R)-2,3-bis(oxidanyl)propanoate
Authors:Zhang, Y, Hu, J.
Deposit date:2022-05-24
Release date:2023-02-22
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (2.751 Å)
Cite:Structural insights into the elevator-type transport mechanism of a bacterial ZIP metal transporter.
Nat Commun, 14, 2023
5JDF
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BU of 5jdf by Molmil
Structural mechanisms of extracellular ion exchange and induced binding-site occlusion in the sodium-calcium exchanger NCX_Mj soaked with 2.5 mM Na+ and 1mM Ca2+
Descriptor: (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, CALCIUM ION, PENTADECANE, ...
Authors:Liao, J, Jiang, Y.X, Faraldo-Gomez, J.D.
Deposit date:2016-04-16
Release date:2016-05-11
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.65 Å)
Cite:Mechanism of extracellular ion exchange and binding-site occlusion in a sodium/calcium exchanger.
Nat.Struct.Mol.Biol., 23, 2016
5JDQ
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BU of 5jdq by Molmil
Structural mechanisms of extracellular ion exchange and induced binding-site occlusion in the sodium-calcium exchanger NCX_Mj soaked with 100 mM Na+ and 10mM Sr2+
Descriptor: (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, CHLORIDE ION, PENTADECANE, ...
Authors:Liao, J, Jiang, Y.X, Faraldo-Gomez, J.D.
Deposit date:2016-04-17
Release date:2016-05-11
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Mechanism of extracellular ion exchange and binding-site occlusion in a sodium/calcium exchanger.
Nat.Struct.Mol.Biol., 23, 2016
6WU8
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BU of 6wu8 by Molmil
Structure of human SHP2 in complex with inhibitor IACS-13909
Descriptor: 1-[3-(2,3-dichlorophenyl)-1H-pyrazolo[3,4-b]pyrazin-6-yl]-4-methylpiperidin-4-amine, Tyrosine-protein phosphatase non-receptor type 11
Authors:Leonard, P.G, Joseph, S, Rodenberger, A.
Deposit date:2020-05-04
Release date:2021-03-17
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Allosteric SHP2 Inhibitor, IACS-13909, Overcomes EGFR-Dependent and EGFR-Independent Resistance Mechanisms toward Osimertinib.
Cancer Res., 80, 2020
5JDG
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BU of 5jdg by Molmil
Structural mechanisms of extracellular ion exchange and induced binding-site occlusion in the sodium-calcium exchanger NCX_Mj soaked with 2.5 mM Na+ and 0.1mM Ca2+
Descriptor: (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, CALCIUM ION, DI(HYDROXYETHYL)ETHER, ...
Authors:Liao, J, Jiang, Y.X, Faraldo-Gomez, J.D.
Deposit date:2016-04-16
Release date:2016-05-11
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.407 Å)
Cite:Mechanism of extracellular ion exchange and binding-site occlusion in a sodium/calcium exchanger.
Nat.Struct.Mol.Biol., 23, 2016
5JDL
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BU of 5jdl by Molmil
Structural mechanisms of extracellular ion exchange and induced binding-site occlusion in the sodium-calcium exchanger NCX_Mj soaked with 2.5 mM Na+ and 1mM Sr2+
Descriptor: (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, CHLORIDE ION, PENTADECANE, ...
Authors:Liao, J, Jiang, Y.X, Faraldo-Gomez, J.D.
Deposit date:2016-04-17
Release date:2016-05-11
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.904 Å)
Cite:Mechanism of extracellular ion exchange and binding-site occlusion in a sodium/calcium exchanger.
Nat.Struct.Mol.Biol., 23, 2016
5JDH
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BU of 5jdh by Molmil
Structural mechanisms of extracellular ion exchange and induced binding-site occlusion in the sodium-calcium exchanger NCX_Mj soaked with 10 mM Na+ and 10mM Ca2+
Descriptor: (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, 3,6,9,12,15,18,21-HEPTAOXATRICOSANE-1,23-DIOL, CALCIUM ION, ...
Authors:Liao, J, Jiang, Y.X, Faraldo-Gomez, J.D.
Deposit date:2016-04-16
Release date:2016-05-11
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.203 Å)
Cite:Mechanism of extracellular ion exchange and binding-site occlusion in a sodium/calcium exchanger.
Nat.Struct.Mol.Biol., 23, 2016
5JDN
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BU of 5jdn by Molmil
Structural mechanisms of extracellular ion exchange and induced binding-site occlusion in the sodium-calcium exchanger NCX_Mj soaked with 10 mM Na+ and 10mM Sr2+
Descriptor: (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, PENTADECANE, PENTAETHYLENE GLYCOL, ...
Authors:Liao, J, Jiang, Y.X, Faraldo-Gomez, J.D.
Deposit date:2016-04-17
Release date:2016-05-11
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Mechanism of extracellular ion exchange and binding-site occlusion in a sodium/calcium exchanger.
Nat.Struct.Mol.Biol., 23, 2016
5JDM
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BU of 5jdm by Molmil
Structural mechanisms of extracellular ion exchange and induced binding-site occlusion in the sodium-calcium exchanger NCX_Mj soaked with 2.5 mM Na+ and 0.1mM Sr2+
Descriptor: (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, 3,6,9,12,15-PENTAOXAHEPTADECANE, PENTADECANE, ...
Authors:Liao, J, Jiang, Y.X, Faraldo-Gomez, J.D.
Deposit date:2016-04-17
Release date:2016-05-11
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.558 Å)
Cite:Mechanism of extracellular ion exchange and binding-site occlusion in a sodium/calcium exchanger.
Nat.Struct.Mol.Biol., 23, 2016
6VN7
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BU of 6vn7 by Molmil
Cryo-EM structure of an activated VIP1 receptor-G protein complex
Descriptor: CHOLESTEROL, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, Guanine nucleotide-binding protein G(I)/G(S)/G(T) subunit beta-1, ...
Authors:Duan, J, Shen, D.-D, Zhou, X.E, Liu, Q.-F, Zhuang, Y.-W, Zhang, H.-B, Xu, P.-Y, Ma, S.-S, He, X.-H, Melcher, K, Zhang, Y, Xu, H.E, Yi, J.
Deposit date:2020-01-29
Release date:2020-09-02
Method:ELECTRON MICROSCOPY (3.2 Å)
Cite:Cryo-EM structure of an activated VIP1 receptor-G protein complex revealed by a NanoBiT tethering strategy.
Nat Commun, 11, 2020
4XZ7
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BU of 4xz7 by Molmil
Crystal structure of a TGase
Descriptor: Putative uncharacterized protein
Authors:Yu, J, Ge, J, Yang, M.
Deposit date:2015-02-04
Release date:2015-06-24
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (2.101 Å)
Cite:Functional and Structural Characterization of the Antiphagocytic Properties of a Novel Transglutaminase from Streptococcus suis
J.Biol.Chem., 290, 2015

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