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9BE1
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BU of 9be1 by Molmil
CG-centric NF-kappaB RelA binding DNA
Descriptor: ACETATE ION, DNA (5'-D(*CP*GP*GP*GP*AP*AP*TP*TP*TP*CP*CP*GP*CP*GP*GP*AP*AP*AP*TP*TP*CP*CP*CP*G)-3'), ZINC ION
Authors:Biswas, T, Shahabi, S, Tsodikov, O.V, Wang, V, Ghosh, G.
Deposit date:2024-04-13
Release date:2024-08-07
Last modified:2024-08-21
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Transient interactions modulate the affinity of NF-kappa B transcription factors for DNA.
Proc.Natl.Acad.Sci.USA, 121, 2024
6KMU
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BU of 6kmu by Molmil
P22/P10 complex of caspase-11 mutant C254A
Descriptor: Caspase-4
Authors:Ding, J, Sun, Q.
Deposit date:2019-08-01
Release date:2020-03-11
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Structural Mechanism for GSDMD Targeting by Autoprocessed Caspases in Pyroptosis.
Cell, 180, 2020
1CF5
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BU of 1cf5 by Molmil
BETA-MOMORCHARIN STRUCTURE AT 2.55 A
Descriptor: PROTEIN (BETA-MOMORCHARIN), beta-D-xylopyranose-(1-2)-[alpha-D-mannopyranose-(1-6)]beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-3)]2-acetamido-2-deoxy-beta-D-glucopyranose
Authors:Yuan, Y.-R, He, Y.-N, Xiong, J.-P, Xia, Z.-X.
Deposit date:1999-03-24
Release date:1999-06-07
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (2.55 Å)
Cite:Three-dimensional structure of beta-momorcharin at 2.55 A resolution.
Acta Crystallogr.,Sect.D, 55, 1999
6KMV
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BU of 6kmv by Molmil
caspase-11 C254A P22/P10 in complex with mouse GSDMD-C domain
Descriptor: Caspase-4, Gasdermin-D
Authors:Ding, J, Sun, Q.
Deposit date:2019-08-01
Release date:2020-03-11
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (3.35 Å)
Cite:Structural Mechanism for GSDMD Targeting by Autoprocessed Caspases in Pyroptosis.
Cell, 180, 2020
6KH0
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BU of 6kh0 by Molmil
Design and crystal structure of protein MOFs with ferritin nanocages as linkers and nickel clusters as nodes
Descriptor: FE (III) ION, Ferritin
Authors:Gu, C, Zhang, T, Zhao, G.
Deposit date:2019-07-12
Release date:2020-01-29
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2 Å)
Cite:Structural Insight into Binary Protein Metal-Organic Frameworks with Ferritin Nanocages as Linkers and Nickel Clusters as Nodes.
Chemistry, 26, 2020
4PT1
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BU of 4pt1 by Molmil
Crystal structure of Locusta migratoria odorant binding proteins lmigOBP1
Descriptor: 2-(2-METHOXYETHOXY)ETHANOL, Odorant-binding protein 1d
Authors:Zheng, J, Li, J, Chen, Z.
Deposit date:2014-03-10
Release date:2014-12-31
Last modified:2015-10-21
Method:X-RAY DIFFRACTION (1.65 Å)
Cite:Crystal structure of the Locusta migratoria odorant binding protein.
Biochem.Biophys.Res.Commun., 456, 2015
5EQE
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BU of 5eqe by Molmil
Crystal structure of choline kinase alpha-1 bound by [4-[(4-methyl-1,4-diazepan-1-yl)methyl]phenyl]methanamine (compound 11)
Descriptor: Choline kinase alpha, [4-[(4-methyl-1,4-diazepan-1-yl)methyl]phenyl]methanamine
Authors:Zhou, T, Zhu, X, Dalgarno, D.C.
Deposit date:2015-11-12
Release date:2016-01-06
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Novel Small Molecule Inhibitors of Choline Kinase Identified by Fragment-Based Drug Discovery.
J.Med.Chem., 59, 2016
5EQP
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BU of 5eqp by Molmil
Crystal structure of choline kinase alpha-1 bound by 6-[(4-methyl-1,4-diazepan-1-yl)methyl]quinoline (compound 37)
Descriptor: 6-[(4-methyl-1,4-diazepan-1-yl)methyl]quinoline, Choline kinase alpha
Authors:Zhou, T, Zhu, X, Dalgarno, D.C.
Deposit date:2015-11-13
Release date:2016-01-06
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.35 Å)
Cite:Novel Small Molecule Inhibitors of Choline Kinase Identified by Fragment-Based Drug Discovery.
J.Med.Chem., 59, 2016
7C8V
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BU of 7c8v by Molmil
Structure of sybody SR4 in complex with the SARS-CoV-2 S Receptor Binding domain (RBD)
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, GLYCEROL, Spike protein S1, ...
Authors:Li, T, Yao, H, Cai, H, Qin, W, Li, D.
Deposit date:2020-06-03
Release date:2020-06-24
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.15 Å)
Cite:A synthetic nanobody targeting RBD protects hamsters from SARS-CoV-2 infection.
Nat Commun, 12, 2021
7C8W
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BU of 7c8w by Molmil
Structure of sybody MR17 in complex with the SARS-CoV-2 S receptor-binding domain (RBD)
Descriptor: GLYCEROL, Spike protein S1, Synthetic nanobody MR17, ...
Authors:Li, T, Cai, H, Yao, H, Qin, W, Li, D.
Deposit date:2020-06-03
Release date:2020-06-24
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.77 Å)
Cite:A synthetic nanobody targeting RBD protects hamsters from SARS-CoV-2 infection.
Nat Commun, 12, 2021
7WJ6
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BU of 7wj6 by Molmil
Crystal Structure of the Kinase Domain of a Class III Lanthipeptide Synthetase CurKC
Descriptor: MAGNESIUM ION, Serine/threonine protein kinase
Authors:Huang, S, Wang, H.
Deposit date:2022-01-05
Release date:2022-11-09
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.55 Å)
Cite:Discovery of a Unique Structural Motif in Lanthipeptide Synthetases for Substrate Binding and Interdomain Interactions.
Angew.Chem.Int.Ed.Engl., 61, 2022
7WJ7
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BU of 7wj7 by Molmil
Crystal Structure of the Kinase Domain with Adenosine of a Class III Lanthipeptide Synthetase CurKC
Descriptor: 2-(6-AMINO-OCTAHYDRO-PURIN-9-YL)-5-HYDROXYMETHYL-TETRAHYDRO-FURAN-3,4-DIOL, Serine/threonine protein kinase
Authors:Huang, S, Wang, H.
Deposit date:2022-01-05
Release date:2022-11-09
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.55 Å)
Cite:Discovery of a Unique Structural Motif in Lanthipeptide Synthetases for Substrate Binding and Interdomain Interactions.
Angew.Chem.Int.Ed.Engl., 61, 2022
7CAN
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BU of 7can by Molmil
Structure of sybody MR17-K99Y in complex with the SARS-CoV-2 S Receptor-binding domain (RBD)
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, GLYCEROL, Spike protein S1, ...
Authors:Li, T, Yao, H, Cai, H, Qin, W, Li, D.
Deposit date:2020-06-09
Release date:2020-06-24
Last modified:2024-10-09
Method:X-RAY DIFFRACTION (2.94 Å)
Cite:A synthetic nanobody targeting RBD protects hamsters from SARS-CoV-2 infection.
Nat Commun, 12, 2021
3KFA
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BU of 3kfa by Molmil
Structural analysis of DFG-in and DFG-out dual Src-Abl inhibitors sharing a common vinyl purine template
Descriptor: 3-{(E)-2-[6-(cyclopropylamino)-9H-purin-9-yl]ethenyl}-4-methyl-N-[3-(4-methyl-1H-imidazol-1-yl)-5-(trifluoromethyl)phenyl]benzamide, Tyrosine-protein kinase ABL1
Authors:Zhou, T.
Deposit date:2009-10-27
Release date:2009-12-22
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (1.22 Å)
Cite:Structural analysis of DFG-in and DFG-out dual Src-Abl inhibitors sharing a common vinyl purine template.
Chem.Biol.Drug Des., 75, 2010
8JC5
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BU of 8jc5 by Molmil
Crystal structure of PLEKHM1 RUN domain in complex with GTP-bound Arl8b(Q75L)
Descriptor: ADP-ribosylation factor-like protein 8B, GUANOSINE-5'-TRIPHOSPHATE, MAGNESIUM ION, ...
Authors:Qiu, X.H, Pan, L.F.
Deposit date:2023-05-10
Release date:2024-03-27
Method:X-RAY DIFFRACTION (2.01 Å)
Cite:Mechanistic Insights into the Interactions of Arl8b with the RUN Domains of PLEKHM1 and SKIP.
J.Mol.Biol., 435, 2023
8JCA
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BU of 8jca by Molmil
Cyrstal structure of SKIP RUN domain in complex with GTP-bound Arl8b(Q75L)
Descriptor: ADP-ribosylation factor-like protein 8B, GUANOSINE-5'-TRIPHOSPHATE, MAGNESIUM ION, ...
Authors:Qiu, X.H, Pan, L.F.
Deposit date:2023-05-10
Release date:2024-03-27
Method:X-RAY DIFFRACTION (1.65 Å)
Cite:Mechanistic Insights into the Interactions of Arl8b with the RUN Domains of PLEKHM1 and SKIP.
J.Mol.Biol., 435, 2023
7C96
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BU of 7c96 by Molmil
Avr1d:GmPUB13 U-box
Descriptor: RING-type E3 ubiquitin transferase, RxLR effector protein Avh6
Authors:Xing, W, Hu, Q, Zhou, J, Yao, D.
Deposit date:2020-06-05
Release date:2021-03-17
Method:X-RAY DIFFRACTION (2.51 Å)
Cite:Phytophthora sojae effector Avr1d functions as an E2 competitor and inhibits ubiquitination activity of GmPUB13 to facilitate infection.
Proc.Natl.Acad.Sci.USA, 118, 2021
6IN8
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BU of 6in8 by Molmil
Crystal structure of MucB
Descriptor: Sigma factor AlgU regulatory protein MucB
Authors:Li, S, Zhang, Q, Bartlam, M.
Deposit date:2018-10-24
Release date:2019-07-24
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Structural basis for the recognition of MucA by MucB and AlgU in Pseudomonas aeruginosa.
Febs J., 286, 2019
4GPI
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BU of 4gpi by Molmil
Crystal structure of human B type phosphoglycerate mutase
Descriptor: CHLORIDE ION, Phosphoglycerate mutase 1
Authors:Zhou, L, He, C.
Deposit date:2012-08-21
Release date:2013-05-22
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (2.0817 Å)
Cite:Tyr26 phosphorylation of PGAM1 provides a metabolic advantage to tumours by stabilizing the active conformation.
Nat Commun, 4, 2013
4GPZ
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BU of 4gpz by Molmil
Crystal structure of human B type phosphoglycerate mutase H11 phosphorylated form
Descriptor: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CHLORIDE ION, Phosphoglycerate mutase 1
Authors:He, C, Zhou, L, Zhang, L.
Deposit date:2012-08-22
Release date:2013-05-22
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (1.65 Å)
Cite:Tyr26 phosphorylation of PGAM1 provides a metabolic advantage to tumours by stabilizing the active conformation.
Nat Commun, 4, 2013
6IH0
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BU of 6ih0 by Molmil
Aquifex aeolicus LpxC complex with ACHN-975
Descriptor: N-[(2S)-3-azanyl-3-methyl-1-(oxidanylamino)-1-oxidanylidene-butan-2-yl]-4-[4-[(1R,2R)-2-(hydroxymethyl)cyclopropyl]buta -1,3-diynyl]benzamide, UDP-3-O-acyl-N-acetylglucosamine deacetylase, ZINC ION, ...
Authors:Li, D.Y, Fan, S, Jin, Y.Y, Zhang, C, Lv, G.X, Wu, G.T, Yang, Z.Y.
Deposit date:2018-09-27
Release date:2019-01-30
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.21 Å)
Cite:The Complex Structure of Protein AaLpxC from Aquifex aeolicus with ACHN-975 Molecule Suggests an Inhibitory Mechanism at Atomic-Level against Gram-Negative Bacteria
Molecules, 26, 2021
4IN0
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BU of 4in0 by Molmil
Crystal Structure of human splicing factor dim2/TXNL4B
Descriptor: Thioredoxin-like protein 4B, beta-D-fructofuranose-(2-1)-alpha-D-glucopyranose
Authors:Jin, T.C, Guo, F, Zhang, Y.Z.
Deposit date:2013-01-03
Release date:2013-03-13
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.327 Å)
Cite:High-resolution crystal structure of human Dim2/TXNL4B.
Acta Crystallogr.,Sect.F, 69, 2013
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
6IN9
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BU of 6in9 by Molmil
Crystal structure of MucB in complex with MucA(peri)
Descriptor: Sigma factor AlgU negative regulatory protein, Sigma factor AlgU regulatory protein MucB
Authors:Li, S, Zhang, Q, Bartlam, M.
Deposit date:2018-10-24
Release date:2019-07-24
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.801 Å)
Cite:Structural basis for the recognition of MucA by MucB and AlgU in Pseudomonas aeruginosa.
Febs J., 286, 2019
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

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數據於2024-10-16公開中

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