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7BTI
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BU of 7bti by Molmil
Phalloidin bound F-actin complex
Descriptor: ADENOSINE-5'-DIPHOSPHATE, Actin, alpha skeletal muscle, ...
Authors:Kumari, A, Ragunath, V.K, Sirajuddin, M.
Deposit date:2020-04-01
Release date:2020-05-20
Last modified:2020-07-29
Method:ELECTRON MICROSCOPY (3.6 Å)
Cite:Structural insights into actin filament recognition by commonly used cellular actin markers.
Embo J., 39, 2020
5YI0
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BU of 5yi0 by Molmil
Structure of Lactococcus lactis ZitR, C30AH42A mutant
Descriptor: ZINC ION, Zinc transport transcriptional regulator
Authors:Song, Y, Liu, H, Zhu, R, Yi, C, Chen, P.
Deposit date:2017-10-01
Release date:2017-12-06
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Allosteric histidine switch for regulation of intracellular zinc(II) fluctuation.
Proc.Natl.Acad.Sci.USA, 114, 2017
5YI1
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BU of 5yi1 by Molmil
Structure of Lactococcus lactis ZitR, C30AH42A mutant in apo form
Descriptor: Zinc transport transcriptional regulator
Authors:Song, Y, Liu, H, Zhu, R, Yi, C, Chen, P.
Deposit date:2017-10-01
Release date:2017-12-06
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Allosteric histidine switch for regulation of intracellular zinc(II) fluctuation.
Proc.Natl.Acad.Sci.USA, 114, 2017
7BT7
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BU of 7bt7 by Molmil
F-actin-ADP complex structure
Descriptor: ADENOSINE-5'-DIPHOSPHATE, Actin, alpha skeletal muscle, ...
Authors:Kumari, A, Ragunath, V.K, Sirajuddin, M.
Deposit date:2020-03-31
Release date:2020-05-20
Last modified:2024-03-27
Method:ELECTRON MICROSCOPY (3.8 Å)
Cite:Structural insights into actin filament recognition by commonly used cellular actin markers.
Embo J., 39, 2020
6XIH
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BU of 6xih by Molmil
Structure-guided optimization of a novel class of ASK1 inhibitors with increased sp3 character and an exquisite selectivity profile
Descriptor: (2R)-N-{6-[4-(propan-2-yl)-4H-1,2,4-triazol-3-yl]pyridin-2-yl}oxane-2-carboxamide, Mitogen-activated protein kinase kinase kinase 5
Authors:Dougan, D.R.
Deposit date:2020-06-19
Release date:2020-08-12
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.65 Å)
Cite:Structure-guided optimization of a novel class of ASK1 inhibitors with increased sp3character and an exquisite selectivity profile.
Bioorg.Med.Chem.Lett., 30, 2020
5YI2
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BU of 5yi2 by Molmil
Structure of Lactococcus lactis ZitR, wild type in complex with DNA
Descriptor: DNA (5'-D(*TP*GP*TP*TP*AP*AP*CP*TP*AP*GP*TP*TP*AP*AP*CP*A)-3'), ZINC ION, Zinc transport transcriptional regulator
Authors:Song, Y, Liu, H, Zhu, R, Yi, C, Chen, P.
Deposit date:2017-10-01
Release date:2017-12-06
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Allosteric histidine switch for regulation of intracellular zinc(II) fluctuation.
Proc.Natl.Acad.Sci.USA, 114, 2017
6MDZ
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BU of 6mdz by Molmil
Human Argonaute2-miR-122 bound to a target RNA with two central mismatches (bu2)
Descriptor: PHENOL, Protein argonaute-2, RNA (5'-R(P*AP*AP*AP*CP*AP*CP*CP*AP*UP*UP*UP*CP*CP*AP*CP*AP*CP*UP*CP*CP*AP*AP*A)-3'), ...
Authors:Sheu-Gruttadauria, J, MacRae, I.J.
Deposit date:2018-09-05
Release date:2019-08-07
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (3.4 Å)
Cite:Structural Basis for Target-Directed MicroRNA Degradation.
Mol.Cell, 75, 2019
3T93
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BU of 3t93 by Molmil
Glutamate bound to a double cysteine mutant (A452C/S652C) of the ligand binding domain of GluA2
Descriptor: GLUTAMIC ACID, Glutamate receptor 2, ZINC ION
Authors:Ahmed, A.H, Oswald, R.E.
Deposit date:2011-08-02
Release date:2011-08-17
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (1.907 Å)
Cite:Mechanism of AMPA Receptor Activation by Partial Agonists: DISULFIDE TRAPPING OF CLOSED LOBE CONFORMATIONS.
J.Biol.Chem., 286, 2011
6JOH
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BU of 6joh by Molmil
The crystal of nucleoside diphosphate kinase from Aspergillus flavus
Descriptor: Nucleoside diphosphate kinase
Authors:Wang, Y, Wang, S, Wang, S.H.
Deposit date:2019-03-21
Release date:2020-01-29
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Molecular and structural basis of Nucleoside Diphosphate Kinase regulating the spores and sclerotia development in Aspergillus flavus
To Be Published
3SM8
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BU of 3sm8 by Molmil
Crystal Structure of Pseudomonas aeruginosa D-Arginine Dehydrogenase in Complex with an (N5) Flavin Adduct
Descriptor: FAD-dependent catabolic D-arginine dehydrogenase, DauA, GLYCEROL, ...
Authors:Fu, G, Weber, I.T.
Deposit date:2011-06-27
Release date:2011-07-20
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (1.07 Å)
Cite:Atomic-resolution structure of an N5 flavin adduct in D-arginine dehydrogenase.
Biochemistry, 50, 2011
6NIT
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BU of 6nit by Molmil
Human Argonaute2-miR-122 bound to a target RNA with four central mismatches (bu4)
Descriptor: Protein argonaute-2, RNA (5'-R(P*AP*AP*CP*AP*CP*CP*AP*UP*CP*CP*AP*AP*CP*AP*CP*UP*CP*CP*AP*AP*A)-3'), RNA (5'-R(P*UP*GP*GP*AP*GP*UP*GP*UP*GP*AP*CP*AP*AP*UP*GP*GP*UP*GP*UP*UP*U)-3')
Authors:Sheu-Gruttadauria, J, MacRae, I.J.
Deposit date:2018-12-31
Release date:2019-08-07
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (3.8 Å)
Cite:Structural Basis for Target-Directed MicroRNA Degradation.
Mol.Cell, 75, 2019
7BTE
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BU of 7bte by Molmil
Lifeact-F-actin complex
Descriptor: ADENOSINE-5'-DIPHOSPHATE, Actin, alpha skeletal muscle, ...
Authors:Kumari, A, Ragunath, V.K, Sirajuddin, M.
Deposit date:2020-04-01
Release date:2020-05-20
Last modified:2024-03-27
Method:ELECTRON MICROSCOPY (4.2 Å)
Cite:Structural insights into actin filament recognition by commonly used cellular actin markers.
Embo J., 39, 2020
5ZIO
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BU of 5zio by Molmil
Crystal structure of NDM-1 in complex with L-captopril
Descriptor: L-CAPTOPRIL, Metallo-beta-lactamase type 2, ZINC ION
Authors:Zhang, H, Hao, Q.
Deposit date:2018-03-16
Release date:2019-03-20
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (0.98 Å)
Cite:Structure-guided optimization of D-captopril for discovery of potent NDM-1 inhibitors
Bioorg.Med.Chem., 29, 2020
5ZJ2
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BU of 5zj2 by Molmil
Crystal structure of NDM-1 in complex with D-captopril
Descriptor: 1-(3-MERCAPTO-2-METHYL-PROPIONYL)-PYRROLIDINE-2-CARBOXYLIC ACID, Metallo-beta-lactamase type 2, ZINC ION
Authors:Zhang, H, Hao, Q.
Deposit date:2018-03-18
Release date:2019-03-20
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.1 Å)
Cite:Structure-guided optimization of D-captopril for discovery of potent NDM-1 inhibitors
Bioorg.Med.Chem., 29, 2020
7BJY
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BU of 7bjy by Molmil
Crystal structure of the first bromodomain (BD1) of human BRDT bound to Ro3280
Descriptor: 1,2-ETHANEDIOL, 4-[(9-cyclopentyl-7,7-difluoro-5-methyl-6-oxo-6,7,8,9-tetrahydro-5H-pyrimido[4,5-b][1,4]diazepin-2-yl)amino]-3-methoxy-N-(1-methylpiperidin-4-yl)benzamide, Isoform 2 of Bromodomain testis-specific protein
Authors:Chan, A, Karim, M.R, Schonbrunn, E.
Deposit date:2021-01-14
Release date:2021-08-25
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.22 Å)
Cite:Differential BET Bromodomain Inhibition by Dihydropteridinone and Pyrimidodiazepinone Kinase Inhibitors.
J.Med.Chem., 64, 2021
5Z0Q
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BU of 5z0q by Molmil
Crystal Structure of OvoB
Descriptor: Aminotransferase, class I and II, PYRIDOXAL-5'-PHOSPHATE
Authors:Cai, Y.J, Huang, P, Wu, L, Zhou, J.H, Liu, P.H.
Deposit date:2017-12-20
Release date:2018-11-07
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.77 Å)
Cite:In Vitro Reconstitution of the Remaining Steps in Ovothiol A Biosynthesis: C-S Lyase and Methyltransferase Reactions.
Org. Lett., 20, 2018
4Q3H
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BU of 4q3h by Molmil
The crystal structure of NHERF1 PDZ2 CXCR2 complex revealed by the NHERF1 CXCR2 chimeric protein
Descriptor: Na(+)/H(+) exchange regulatory cofactor NHE-RF1
Authors:Holcomb, J, Jiang, Y, Trescott, L, Lu, G, Brunzelle, J, Sirinupong, N, Li, C, Yang, Z.
Deposit date:2014-04-11
Release date:2014-05-21
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.443 Å)
Cite:Crystal structure of the NHERF1 PDZ2 domain in complex with the chemokine receptor CXCR2 reveals probable modes of PDZ2 dimerization.
Biochem.Biophys.Res.Commun., 448, 2014
6A46
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BU of 6a46 by Molmil
Structure of TREX2 in complex with a nucleotide (dCMP)
Descriptor: 2'-DEOXYCYTIDINE-5'-MONOPHOSPHATE, CALCIUM ION, MAGNESIUM ION, ...
Authors:Hsiao, Y.Y.
Deposit date:2018-06-19
Release date:2018-11-07
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2 Å)
Cite:Structural insights into the duplex DNA processing of TREX2
Nucleic Acids Res., 46, 2018
3T9U
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BU of 3t9u by Molmil
CNQX bound to an oxidized double cysteine mutant (A452C/S652C) of the ligand binding domain of GluA2
Descriptor: 7-nitro-2,3-dioxo-2,3-dihydroquinoxaline-6-carbonitrile, Glutamate receptor 2, ZINC ION
Authors:Ahmed, A.H, Oswald, R.E.
Deposit date:2011-08-03
Release date:2011-08-17
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (1.97 Å)
Cite:Mechanism of AMPA Receptor Activation by Partial Agonists: DISULFIDE TRAPPING OF CLOSED LOBE CONFORMATIONS.
J.Biol.Chem., 286, 2011
2G01
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BU of 2g01 by Molmil
Pyrazoloquinolones as Novel, Selective JNK1 inhibitors
Descriptor: 6-CHLORO-9-HYDROXY-1,3-DIMETHYL-1,9-DIHYDRO-4H-PYRAZOLO[3,4-B]QUINOLIN-4-ONE, C-jun-amino-terminal kinase-interacting protein 1, Mitogen-activated protein kinase 8, ...
Authors:Abad-Zapatero, C.
Deposit date:2006-02-10
Release date:2006-04-18
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (3.5 Å)
Cite:Synthesis and SAR of 1,9-dihydro-9-hydroxypyrazolo[3,4-b]quinolin-4-ones as novel, selective c-Jun N-terminal kinase inhibitors.
Bioorg.Med.Chem.Lett., 16, 2006
7DR6
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BU of 7dr6 by Molmil
PA28alpha-beta in complex with immunoproteasome
Descriptor: Proteasome activator complex subunit 1, Proteasome activator complex subunit 2, Proteasome subunit alpha type-1, ...
Authors:Cong, Y, Xu, C.
Deposit date:2020-12-26
Release date:2021-01-20
Last modified:2024-03-27
Method:ELECTRON MICROSCOPY (4.1 Å)
Cite:Cryo-EM of mammalian PA28 alpha beta-iCP immunoproteasome reveals a distinct mechanism of proteasome activation by PA28 alpha beta.
Nat Commun, 12, 2021
7DR7
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BU of 7dr7 by Molmil
bovine 20S immunoproteasome
Descriptor: Proteasome subunit alpha type-1, Proteasome subunit alpha type-2, Proteasome subunit alpha type-3, ...
Authors:Xu, C, Cong, Y.
Deposit date:2020-12-26
Release date:2021-01-20
Last modified:2024-03-27
Method:ELECTRON MICROSCOPY (3.3 Å)
Cite:Cryo-EM of mammalian PA28 alpha beta-iCP immunoproteasome reveals a distinct mechanism of proteasome activation by PA28 alpha beta.
Nat Commun, 12, 2021
7DRW
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BU of 7drw by Molmil
Bovine 20S immunoproteasome in complex with two human PA28alpha-beta activators
Descriptor: Proteasome activator complex subunit 1, Proteasome activator complex subunit 2, Proteasome subunit alpha type-1, ...
Authors:Cong, Y, Xu, C.
Deposit date:2020-12-29
Release date:2021-01-20
Last modified:2024-03-27
Method:ELECTRON MICROSCOPY (4.2 Å)
Cite:Cryo-EM of mammalian PA28 alpha beta-iCP immunoproteasome reveals a distinct mechanism of proteasome activation by PA28 alpha beta.
Nat Commun, 12, 2021
7DCT
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BU of 7dct by Molmil
Crystal structure of HSF1 DNA-binding domain in complex with 3-site HSE DNA (24 bp)
Descriptor: DNA (5'-D(*AP*CP*TP*CP*GP*CP*GP*AP*AP*TP*AP*TP*TP*CP*TP*AP*GP*AP*AP*CP*GP*CP*AP*C)-3'), DNA (5'-D(*TP*GP*TP*GP*CP*GP*TP*TP*CP*TP*AP*GP*AP*AP*TP*AP*TP*TP*CP*GP*CP*GP*AP*G)-3'), Heat shock factor protein 1, ...
Authors:Feng, N, Liu, W.
Deposit date:2020-10-27
Release date:2021-07-14
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.36 Å)
Cite:Structures of heat shock factor trimers bound to DNA.
Iscience, 24, 2021
7DCJ
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BU of 7dcj by Molmil
Crystal structure of HSF1 DNA-binding domain in complex with 2-site HSE DNA in the head-to-head orientation
Descriptor: DNA (5'-D(*GP*CP*CP*GP*AP*AP*TP*AP*TP*TP*CP*GP*G)-3'), Heat shock factor protein 1, SODIUM ION
Authors:Feng, N, Liu, W.
Deposit date:2020-10-26
Release date:2021-07-14
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.004 Å)
Cite:Structures of heat shock factor trimers bound to DNA.
Iscience, 24, 2021

223790

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