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7THE
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BU of 7the by Molmil
Structure of RBD directed antibody DH1042 in complex with SARS-CoV-2 spike: Local refinement of RBD-Fab interface
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, DH1042 Fab Heavy Chain, DH1042 Fab Light Chain, ...
Authors:May, A.J, Manne, K, Acharya, P.
Deposit date:2022-01-10
Release date:2022-02-16
Last modified:2022-08-03
Method:ELECTRON MICROSCOPY (3.87 Å)
Cite:Structural diversity of the SARS-CoV-2 Omicron spike.
Mol.Cell, 82, 2022
7TOW
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BU of 7tow by Molmil
Antibody DH1058 Fab fragment bound to SARS-CoV-2 fusion peptide
Descriptor: CALCIUM ION, DH1058 Fab Light chain, DH1058 Fab heavy chain, ...
Authors:Gobeil, S, Acharya, P.
Deposit date:2022-01-24
Release date:2022-02-16
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (2.15 Å)
Cite:Structural diversity of the SARS-CoV-2 Omicron spike.
Mol.Cell, 82, 2022
7TGE
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BU of 7tge by Molmil
SARS-CoV-2 Omicron 1-RBD down Spike Protein Trimer without the P986-P987 stabilizing mutations (S-GSAS-Omicron)
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:Stalls, V, Acharya, P.
Deposit date:2022-01-07
Release date:2022-03-09
Last modified:2023-04-12
Method:ELECTRON MICROSCOPY (3.68 Å)
Cite:Structural diversity of the SARS-CoV-2 Omicron spike.
Mol.Cell, 82, 2022
3PRZ
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BU of 3prz by Molmil
Quinazolines with intra-molecular hydrogen bonding scaffold (iMHBS) as PI3K/mTOR dual inhibitors.
Descriptor: 4-amino-2-methyl-N-(1H-pyrazol-3-yl)quinazoline-8-carboxamide, Phosphatidylinositol-4,5-bisphosphate 3-kinase catalytic subunit gamma isoform
Authors:Knighton, D.R, Greasley, S.E, Rodgers, C.M.-L.
Deposit date:2010-11-30
Release date:2011-02-09
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Quinazolines with intra-molecular hydrogen bonding scaffold (iMHBS) as PI3K/mTOR dual inhibitors.
Bioorg.Med.Chem.Lett., 21, 2011
7DTD
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BU of 7dtd by Molmil
Voltage-gated sodium channel Nav1.1 and beta4
Descriptor: (3beta,14beta,17beta,25R)-3-[4-methoxy-3-(methoxymethyl)butoxy]spirost-5-en, 2-acetamido-2-deoxy-beta-D-glucopyranose, Sodium channel protein type 1 subunit alpha, ...
Authors:Yan, N, Pan, X, Li, Z, Huang, G.
Deposit date:2021-01-04
Release date:2021-04-07
Method:ELECTRON MICROSCOPY (3.3 Å)
Cite:Comparative structural analysis of human Na v 1.1 and Na v 1.5 reveals mutational hotspots for sodium channelopathies.
Proc.Natl.Acad.Sci.USA, 118, 2021
5WH1
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BU of 5wh1 by Molmil
Apo form of the C-terminal region of human Transcription Factor IIB
Descriptor: SULFATE ION, Transcription initiation factor IIB
Authors:Bratkowski, M.A, Liu, X.
Deposit date:2017-07-14
Release date:2017-11-29
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (3.39 Å)
Cite:Structural dissection of an interaction between transcription initiation and termination factors implicated in promoter-terminator cross-talk.
J. Biol. Chem., 293, 2018
5ZFL
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BU of 5zfl by Molmil
Crystal structure of beta-lactamase PenP mutant E166Y
Descriptor: 1,2-ETHANEDIOL, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, Beta-lactamase
Authors:Pan, X, Zhao, Y.
Deposit date:2018-03-06
Release date:2019-03-20
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:The hydrolytic water molecule of Class A beta-lactamase relies on the acyl-enzyme intermediate ES* for proper coordination and catalysis.
Sci Rep, 10, 2020
5ZG6
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BU of 5zg6 by Molmil
Crystal structure of beta-lactamase PenP mutant-E166Y in complex with cephaloridine as "post-acylation" intermediate
Descriptor: 5-METHYL-2-[2-OXO-1-(2-THIOPHEN-2-YL-ACETYLAMINO)-ETHYL]-3,6-DIHYDRO-2H-[1,3]THIAZINE-4-CARBOXYLIC ACID, Beta-lactamase
Authors:Pan, X, Zhao, Y.
Deposit date:2018-03-07
Release date:2019-03-20
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2 Å)
Cite:The hydrolytic water molecule of Class A beta-lactamase relies on the acyl-enzyme intermediate ES* for proper coordination and catalysis.
Sci Rep, 10, 2020
5ZFT
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BU of 5zft by Molmil
Crystal structure of beta-lactamase PenP mutant-E166Y in complex with cephaloridine as "pre-deacylation" intermediate
Descriptor: 5-METHYL-2-[2-OXO-1-(2-THIOPHEN-2-YL-ACETYLAMINO)-ETHYL]-3,6-DIHYDRO-2H-[1,3]THIAZINE-4-CARBOXYLIC ACID, Beta-lactamase
Authors:Pan, X, Zhao, Y.
Deposit date:2018-03-07
Release date:2019-03-20
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.93 Å)
Cite:The hydrolytic water molecule of Class A beta-lactamase relies on the acyl-enzyme intermediate ES* for proper coordination and catalysis.
Sci Rep, 10, 2020
5YPO
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BU of 5ypo by Molmil
Crystal structure of PSD-95 GK domain in complex with phospho-SAPAP peptide
Descriptor: Disks large homolog 4, GLYCEROL, SAPAP
Authors:Zhu, J, Zhou, Q, Shang, Y, Weng, Z, Zhang, R, Zhang, M.
Deposit date:2017-11-02
Release date:2018-03-14
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.29 Å)
Cite:Synaptic Targeting and Function of SAPAPs Mediated by Phosphorylation-Dependent Binding to PSD-95 MAGUKs.
Cell Rep, 21, 2017
6J69
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BU of 6j69 by Molmil
Structure of KIBRA and Dendrin Complex
Descriptor: Peptide from Dendrin, Protein KIBRA
Authors:Lin, Z, Yang, Z, Ji, Z, Zhang, M.
Deposit date:2019-01-14
Release date:2019-03-20
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.753 Å)
Cite:Kibra Modulates Learning and Memory via Binding to Dendrin.
Cell Rep, 26, 2019
5YPR
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BU of 5ypr by Molmil
Crystal Structure of PSD-95 SH3-GK domain in complex with a synthesized inhibitor
Descriptor: Disks large homolog 4, Synthesized GK inhibitor
Authors:Zhu, J, Zhou, Q, Shang, Y, Weng, Z, Zhu, R, Zhang, M.
Deposit date:2017-11-02
Release date:2018-03-14
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.349 Å)
Cite:Synaptic Targeting and Function of SAPAPs Mediated by Phosphorylation-Dependent Binding to PSD-95 MAGUKs.
Cell Rep, 21, 2017
6JFP
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BU of 6jfp by Molmil
Crystal structure of the beta-glucosidase Bgl15
Descriptor: beta-D-glucopyranose, beta-glucosidase 15
Authors:Xie, W, Chen, R.
Deposit date:2019-02-11
Release date:2020-02-12
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Engineering of beta-Glucosidase Bgl15 with Simultaneously Enhanced Glucose Tolerance and Thermostability To Improve Its Performance in High-Solid Cellulose Hydrolysis.
J.Agric.Food Chem., 68, 2020
7XVE
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BU of 7xve by Molmil
Human Nav1.7 mutant class-I
Descriptor: (2S,3R,4E)-2-(acetylamino)-3-hydroxyoctadec-4-en-1-yl dihydrogen phosphate, 1,2-DIOLEOYL-SN-GLYCERO-3-PHOSPHOCHOLINE, 1-O-OCTADECYL-SN-GLYCERO-3-PHOSPHOCHOLINE, ...
Authors:Huang, G, Wu, Q, Li, Z, Pan, X, Yan, N.
Deposit date:2022-05-21
Release date:2022-08-10
Last modified:2023-03-01
Method:ELECTRON MICROSCOPY (2.7 Å)
Cite:Unwinding and spiral sliding of S4 and domain rotation of VSD during the electromechanical coupling in Na v 1.7.
Proc.Natl.Acad.Sci.USA, 119, 2022
7XVF
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BU of 7xvf by Molmil
Nav1.7 mutant class2
Descriptor: (2S,3R,4E)-2-(acetylamino)-3-hydroxyoctadec-4-en-1-yl dihydrogen phosphate, 1,2-DIOLEOYL-SN-GLYCERO-3-PHOSPHOCHOLINE, 1-O-OCTADECYL-SN-GLYCERO-3-PHOSPHOCHOLINE, ...
Authors:Huang, G, Wu, Q, Li, Z, Pan, X, Yan, N.
Deposit date:2022-05-22
Release date:2022-08-10
Last modified:2023-03-01
Method:ELECTRON MICROSCOPY (2.8 Å)
Cite:Unwinding and spiral sliding of S4 and domain rotation of VSD during the electromechanical coupling in Na v 1.7.
Proc.Natl.Acad.Sci.USA, 119, 2022
6XAF
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BU of 6xaf by Molmil
1.9A crystal structure of the GTPase domain of Parkinson's disease-associated protein LRRK2 carrying R1398H
Descriptor: GUANOSINE-5'-DIPHOSPHATE, Leucine-rich repeat serine/threonine-protein kinase 2, MAGNESIUM ION
Authors:Hoang, Q.Q, Liao, J, Huang, X, Park, Y, Wu, C.X.
Deposit date:2020-06-04
Release date:2021-06-09
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.968 Å)
Cite:Structural basis for conformational plasticity in the GTPase domain of the Parkinson's disease-associated protein LRRK2
To be Published
7JYD
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BU of 7jyd by Molmil
Human Liver Receptor Homolog-1 in Complex with 10CA and a Fragment of Tif2
Descriptor: 10-[(3aR,6R,6aR)-6-hydroxy-3-phenyl-3a-(1-phenylethenyl)-1,3a,4,5,6,6a-hexahydropentalen-2-yl]decanoic acid, Nuclear receptor coactivator 2, Nuclear receptor subfamily 5 group A member 2
Authors:D'Agostino, E.H, Mays, S.G, Ortlund, E.A.
Deposit date:2020-08-30
Release date:2022-03-02
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Tapping into a phospholipid-LRH-1 axis yields a powerful anti-inflammatory agent with in vivo activity against colitis
To Be Published
7JYE
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BU of 7jye by Molmil
Human Liver Receptor Homolog-1 in Complex with 9ChoP and a Fragment of Tif2
Descriptor: 9-[(3~{a}~{R},6~{R},6~{a}~{R})-6-oxidanyl-3-phenyl-3~{a}-(1-phenylethenyl)-4,5,6,6~{a}-tetrahydro-1~{H}-pentalen-2-yl]nonyl 2-(trimethyl-$l^{4}-azanyl)ethyl hydrogen phosphate, Nuclear receptor coactivator 2, Nuclear receptor subfamily 5 group A member 2
Authors:D'Agostino, E.H, Mays, S.G, Ortlund, E.A.
Deposit date:2020-08-30
Release date:2022-03-02
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.551 Å)
Cite:Tapping into a phospholipid-LRH-1 axis yields a powerful anti-inflammatory agent with in vivo activity against colitis
To Be Published
6N05
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BU of 6n05 by Molmil
Structure of anti-crispr protein, AcrIIC2
Descriptor: AcrIIC2
Authors:Shah, M, Thavalingham, A, Maxwell, K.L, Moraes, T.F.
Deposit date:2018-11-06
Release date:2019-06-05
Last modified:2020-01-08
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Inhibition of CRISPR-Cas9 ribonucleoprotein complex assembly by anti-CRISPR AcrIIC2.
Nat Commun, 10, 2019
8JTN
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BU of 8jtn by Molmil
Tudor domain of TDRD3 in complex with a small molecule
Descriptor: 2-propyl-2-azoniatricyclo[7.3.0.0^{3,7}]dodeca-1(9),2,7-trien-8-amine, Tudor domain-containing protein 3
Authors:Chen, M, Wang, Z, Li, W, Shang, X, Liu, Y.
Deposit date:2023-06-22
Release date:2023-08-09
Last modified:2024-05-29
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Crystal structure of Tudor domain of TDRD3 in complex with a small molecule antagonist.
Biochim Biophys Acta Gene Regul Mech, 1866, 2023
8HVS
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BU of 8hvs by Molmil
Solution Structure of the Antimicrobial Peptide HT-2
Descriptor: ARG-PHE-LEU-ARG-ARG-ILE-PHE-PHE-PHE-PHE
Authors:Li, S, Yang, A.
Deposit date:2022-12-27
Release date:2023-10-25
Last modified:2024-05-15
Method:SOLUTION NMR
Cite:Design and evaluation of tadpole-like conformational antimicrobial peptides.
Commun Biol, 6, 2023
5WSU
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BU of 5wsu by Molmil
Crystal structure of Myosin VIIa IQ5-SAH in complex with apo-CaM
Descriptor: Calmodulin, Unconventional myosin-VIIa
Authors:Li, J, Chen, Y, Deng, Y, Lu, Q, Zhang, M.
Deposit date:2016-12-08
Release date:2017-06-07
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (3 Å)
Cite:Ca(2+)-Induced Rigidity Change of the Myosin VIIa IQ Motif-Single alpha Helix Lever Arm Extension
Structure, 25, 2017
5WSV
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BU of 5wsv by Molmil
Crystal structure of Myosin VIIa IQ5 in complex with Ca2+-CaM
Descriptor: CALCIUM ION, Calmodulin, SULFATE ION, ...
Authors:Li, J, Chen, Y, Deng, Y, Lu, Q, Zhang, M.
Deposit date:2016-12-08
Release date:2017-06-07
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.33 Å)
Cite:Ca(2+)-Induced Rigidity Change of the Myosin VIIa IQ Motif-Single alpha Helix Lever Arm Extension
Structure, 25, 2017
5WST
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BU of 5wst by Molmil
Crystal structure of Myo7a SAH
Descriptor: Unconventional myosin-VIIa
Authors:Li, J, Chen, Y, Deng, Y, Lu, Q, Zhang, M.
Deposit date:2016-12-08
Release date:2017-06-07
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Ca(2+)-Induced Rigidity Change of the Myosin VIIa IQ Motif-Single alpha Helix Lever Arm Extension
Structure, 25, 2017
6JXT
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BU of 6jxt by Molmil
Crystal structure of EGFR 696-1022 WT in complex with AZD9291 prepared by cocrystallization
Descriptor: CHLORIDE ION, Epidermal growth factor receptor, N-(2-{[2-(dimethylamino)ethyl](methyl)amino}-4-methoxy-5-{[4-(1-methyl-1H-indol-3-yl)pyrimidin-2-yl]amino}phenyl)prop-2-enamide
Authors:Yun, C.H, Zhu, S.J, Yan, X.E.
Deposit date:2019-04-25
Release date:2020-04-29
Last modified:2020-11-04
Method:X-RAY DIFFRACTION (2.307 Å)
Cite:Structural Basis of AZD9291 Selectivity for EGFR T790M.
J.Med.Chem., 63, 2020

224004

數據於2024-08-21公開中

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