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8HTX
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BU of 8htx by Molmil
Crystal structure of BANP in complex with methylated DNA
Descriptor: DNA (5'-D(*CP*TP*CP*TP*(5CM)P*GP*CP*GP*AP*GP*AP*G)-3'), Protein BANP
Authors:Zhang, J, Min, J, Liu, K.
Deposit date:2022-12-21
Release date:2023-05-24
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Structural insights into DNA recognition by the BEN domain of the transcription factor BANP.
J.Biol.Chem., 299, 2023
7YUK
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BU of 7yuk by Molmil
Complex structure of BANP BEN domain bound to DNA
Descriptor: DNA (5'-D(*CP*TP*CP*TP*CP*GP*CP*GP*AP*GP*AP*G)-3'), GLYCEROL, Protein BANP
Authors:Zhang, J, Xiao, Y.Q, Chen, Y.X, Liu, K, Min, J.R.
Deposit date:2022-08-17
Release date:2023-04-26
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.11 Å)
Cite:Structural insights into DNA recognition by the BEN domain of the transcription factor BANP.
J.Biol.Chem., 299, 2023
7YUG
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BU of 7yug by Molmil
Structure of human BANP BEN domain
Descriptor: 1-(2-METHOXY-ETHOXY)-2-{2-[2-(2-METHOXY-ETHOXY]-ETHOXY}-ETHANE, BROMIDE ION, CHLORIDE ION, ...
Authors:Zhang, J, Xiao, Y.Q, Chen, Y.X, Liu, K, Min, J.R.
Deposit date:2022-08-17
Release date:2023-04-26
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (1.1 Å)
Cite:Structural insights into DNA recognition by the BEN domain of the transcription factor BANP.
J.Biol.Chem., 299, 2023
6DAI
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BU of 6dai by Molmil
Discovery of Potent 2-Aryl-6,7-Dihydro-5HPyrrolo[ 1,2-a]imidazoles as WDR5 WIN-site Inhibitors Using Fragment-Based Methods and Structure-Based Design
Descriptor: 6-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-2-yl)-1-methylindoline, DIMETHYL SULFOXIDE, WD repeat-containing protein 5
Authors:Phan, J, Fesik, S.W.
Deposit date:2018-05-01
Release date:2018-09-05
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.63 Å)
Cite:Discovery of Potent 2-Aryl-6,7-dihydro-5 H-pyrrolo[1,2- a]imidazoles as WDR5-WIN-Site Inhibitors Using Fragment-Based Methods and Structure-Based Design.
J. Med. Chem., 61, 2018
6E1Z
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BU of 6e1z by Molmil
Displacement of WDR5 from chromatin by a pharmacological WIN site inhibitor with picomolar affinity
Descriptor: 5-[(1H-imidazol-1-yl)methyl]furan-2-carboxylic acid, WD repeat-containing protein 5
Authors:Phan, J, Fesik, S.W.
Deposit date:2018-07-10
Release date:2019-03-13
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.1 Å)
Cite:Displacement of WDR5 from Chromatin by a WIN Site Inhibitor with Picomolar Affinity.
Cell Rep, 26, 2019
6E23
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BU of 6e23 by Molmil
Displacement of WDR5 from chromatin by a pharmacological WIN site inhibitor with picomolar affinity
Descriptor: 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, N-[(3,4-dichlorophenyl)methyl]-3-(6-fluoro-2-methylpyridin-3-yl)-5-{[(2E)-2-imino-3-methyl-2,3-dihydro-1H-imidazol-1-yl]methyl}benzamide, WD repeat-containing protein 5
Authors:Phan, J, Fesik, S.W.
Deposit date:2018-07-10
Release date:2019-03-13
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.66 Å)
Cite:Displacement of WDR5 from Chromatin by a WIN Site Inhibitor with Picomolar Affinity.
Cell Rep, 26, 2019
6E22
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BU of 6e22 by Molmil
Displacement of WDR5 from chromatin by a pharmacological WIN site inhibitor with picomolar affinity
Descriptor: 3-{[(4,5-dihydro-1H-imidazol-2-yl)amino]methyl}-N-[(3,5-dimethoxyphenyl)methyl]-4-fluorobenzamide, SULFATE ION, WD repeat-containing protein 5
Authors:Phan, J, Fesik, S.W.
Deposit date:2018-07-10
Release date:2019-03-13
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Displacement of WDR5 from Chromatin by a WIN Site Inhibitor with Picomolar Affinity.
Cell Rep, 26, 2019
6E1Y
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BU of 6e1y by Molmil
Discovery of Potent 2-Aryl-6,7-Dihydro-5HPyrrolo[ 1,2-a]imidazoles as WDR5 WIN-site Inhibitors Using Fragment-Based Methods and Structure-Based Design
Descriptor: N-[(1S)-1-(3-chlorophenyl)ethyl]-3-{[(4,5-dihydro-1H-imidazol-2-yl)amino]methyl}benzamide, WD repeat-containing protein 5
Authors:Phan, J, Fesik, S.W.
Deposit date:2018-07-10
Release date:2019-03-13
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.219 Å)
Cite:Displacement of WDR5 from Chromatin by a WIN Site Inhibitor with Picomolar Affinity.
Cell Rep, 26, 2019
6DYA
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BU of 6dya by Molmil
WDR5 in complex with a WIN site inhibitor
Descriptor: DIMETHYL SULFOXIDE, N-[(3,5-dichlorophenyl)methyl]-3-[(1H-imidazol-1-yl)methyl]benzamide, SULFATE ION, ...
Authors:Phan, J, Wang, F, Fesik, S.W.
Deposit date:2018-07-01
Release date:2019-03-13
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (2.56 Å)
Cite:Displacement of WDR5 from Chromatin by a WIN Site Inhibitor with Picomolar Affinity.
Cell Rep, 26, 2019
7YFG
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BU of 7yfg by Molmil
Structure of the Rat GluN1-GluN2C NMDA receptor in complex with glycine and glutamate (major class in asymmetry)
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, GLUTAMIC ACID, ...
Authors:Zhang, M, Zhang, J, Guo, F, Li, Y, Zhu, S.
Deposit date:2022-07-08
Release date:2023-03-29
Last modified:2023-05-31
Method:ELECTRON MICROSCOPY (3.6 Å)
Cite:Distinct structure and gating mechanism in diverse NMDA receptors with GluN2C and GluN2D subunits.
Nat.Struct.Mol.Biol., 30, 2023
7U8H
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BU of 7u8h by Molmil
Discovery of a KRAS G12V Inhibitor in vivo Tool Compound starting from an HSQC-NMR based Fragment Hit
Descriptor: 1H-benzimidazol-2-ylmethanethiol, 2-amino-4,5,6,7-tetrahydro-1-benzothiophene-3-carbonitrile, GTPase KRas, ...
Authors:Phan, J, Fesik, S.W.
Deposit date:2022-03-08
Release date:2022-11-09
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (1.702 Å)
Cite:Fragment Optimization of Reversible Binding to the Switch II Pocket on KRAS Leads to a Potent, In Vivo Active KRAS G12C Inhibitor.
J.Med.Chem., 65, 2022
7URI
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BU of 7uri by Molmil
allo-tRNAUTu1A in the A site of the E. coli ribosome
Descriptor: Allo-tRNAUTu1A
Authors:Zhang, J, Prabhakar, A, Krahn, N, Vargas-Rodriguez, O, Krupkin, M, Fu, Z, Acosta-Reyes, F.J, Ge, X, Choi, J, Crnkovic, A, Ehrenberg, M, Viani Puglisi, E, Soll, D, Puglisi, J.
Deposit date:2022-04-22
Release date:2022-08-10
Last modified:2024-06-12
Method:ELECTRON MICROSCOPY (2.6 Å)
Cite:Uncovering translation roadblocks during the development of a synthetic tRNA.
Nucleic Acids Res., 50, 2022
7UR5
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BU of 7ur5 by Molmil
allo-tRNAUTu1 in the A, P, and E sites of the E. coli ribosome
Descriptor: allo-tRNAUTu1
Authors:Zhang, J, Krahn, N, Prabhakar, A, Vargas-Rodriguez, O, Krupkin, M, Fu, Z, Acosta-Reyes, F.J, Ge, X, Choi, J, Crnkovic, A, Ehrenberg, M, Viani Puglisi, E, Soll, D, Puglisi, J.
Deposit date:2022-04-21
Release date:2022-08-10
Last modified:2024-06-12
Method:ELECTRON MICROSCOPY (2.6 Å)
Cite:Uncovering translation roadblocks during the development of a synthetic tRNA.
Nucleic Acids Res., 50, 2022
7URM
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BU of 7urm by Molmil
allo-tRNAUTu1A in the P site of the E. coli ribosome
Descriptor: allo-tRNAUTU1A
Authors:Zhang, J, Prabhakar, A, Krahn, N, Vargas-Rodriguez, O, Krupkin, M, Fu, Z, Acosta-Reyes, F.J, Ge, X, Choi, J, Crnkovic, A, Ehrenberg, M, Viani Puglisi, E, Soll, D, Puglisi, J.
Deposit date:2022-04-22
Release date:2022-08-10
Last modified:2024-06-12
Method:ELECTRON MICROSCOPY (3 Å)
Cite:Uncovering translation roadblocks during the development of a synthetic tRNA.
Nucleic Acids Res., 50, 2022
8HDK
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BU of 8hdk by Molmil
Structure of the Rat GluN1-GluN2C NMDA receptor in complex with glycine and glutamate (minor class in symmetry)
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Glutamate receptor ionotropic, ...
Authors:Zhang, M, Zhang, J, Guo, F, Li, Y, Zhu, S.
Deposit date:2022-11-04
Release date:2023-03-29
Last modified:2023-05-31
Method:ELECTRON MICROSCOPY (4.3 Å)
Cite:Distinct structure and gating mechanism in diverse NMDA receptors with GluN2C and GluN2D subunits.
Nat.Struct.Mol.Biol., 30, 2023
7KJ3
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BU of 7kj3 by Molmil
SARS-CoV-2 Spike Glycoprotein with two ACE2 Bound
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Angiotensin-converting enzyme 2, ...
Authors:Zhang, J, Xiao, T.S, Cai, Y.F, Chen, B.
Deposit date:2020-10-25
Release date:2020-11-11
Last modified:2021-02-24
Method:ELECTRON MICROSCOPY (3.7 Å)
Cite:A trimeric human angiotensin-converting enzyme 2 as an anti-SARS-CoV-2 agent.
Nat.Struct.Mol.Biol., 28, 2021
7KJ5
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BU of 7kj5 by Molmil
SARS-CoV-2 Spike Glycoprotein, prefusion with one RBD up conformation
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:Zhang, J, Xiao, T.S, Cai, Y.F, Chen, B.
Deposit date:2020-10-25
Release date:2020-11-11
Last modified:2021-02-24
Method:ELECTRON MICROSCOPY (3.6 Å)
Cite:A trimeric human angiotensin-converting enzyme 2 as an anti-SARS-CoV-2 agent.
Nat.Struct.Mol.Biol., 28, 2021
7KJ2
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BU of 7kj2 by Molmil
SARS-CoV-2 Spike Glycoprotein with one ACE2 Bound
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Angiotensin-converting enzyme 2, ...
Authors:Zhang, J, Xiao, T.S, Cai, Y.F, Chen, B.
Deposit date:2020-10-25
Release date:2020-11-11
Last modified:2021-02-24
Method:ELECTRON MICROSCOPY (3.6 Å)
Cite:A trimeric human angiotensin-converting enzyme 2 as an anti-SARS-CoV-2 agent.
Nat.Struct.Mol.Biol., 28, 2021
7KJ4
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BU of 7kj4 by Molmil
SARS-CoV-2 Spike Glycoprotein with three ACE2 Bound
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Angiotensin-converting enzyme 2, ...
Authors:Zhang, J, Xiao, T.S, Cai, Y.F, Chen, B.
Deposit date:2020-10-25
Release date:2020-11-11
Last modified:2021-02-24
Method:ELECTRON MICROSCOPY (3.4 Å)
Cite:A trimeric human angiotensin-converting enzyme 2 as an anti-SARS-CoV-2 agent.
Nat.Struct.Mol.Biol., 28, 2021
7KGB
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BU of 7kgb by Molmil
CryoEM structure of A2296-methylated Mycobacterium tuberculosis ribosome bound with SEQ-9
Descriptor: 16S rRNA, 23S rRNA, 30S ribosomal protein S10, ...
Authors:Cui, Z, Zhang, J.
Deposit date:2020-10-16
Release date:2022-01-19
Last modified:2024-05-29
Method:ELECTRON MICROSCOPY (2.7 Å)
Cite:Discovery of natural-product-derived sequanamycins as potent oral anti-tuberculosis agents.
Cell, 2023
3H4R
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BU of 3h4r by Molmil
Crystal structure of E. coli RecE exonuclease
Descriptor: Exodeoxyribonuclease 8
Authors:Bell, C.E, Zhang, J.
Deposit date:2009-04-20
Release date:2009-05-26
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Crystal structure of E. coli RecE protein reveals a toroidal tetramer for processing double-stranded DNA breaks.
Structure, 17, 2009
7X5V
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BU of 7x5v by Molmil
NaVEh Sodium channel, and NaVEh from the coccolithophore Emiliania huxleyi
Descriptor: ion channel, ion channel,GFP-TwinStrep
Authors:Jiang, D, Zhang, J.
Deposit date:2022-03-05
Release date:2022-06-01
Last modified:2024-06-26
Method:ELECTRON MICROSCOPY (2.83 Å)
Cite:N-type fast inactivation of a eukaryotic voltage-gated sodium channel.
Nat Commun, 13, 2022
6BVL
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BU of 6bvl by Molmil
Ras:SOS:Ras in complex with a small molecule activator
Descriptor: FORMIC ACID, GLYCEROL, GTPase HRAS, ...
Authors:Phan, J, Abbott, J, Fesik, S.W.
Deposit date:2017-12-13
Release date:2018-10-24
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (1.748 Å)
Cite:Discovery of Aminopiperidine Indoles That Activate the Guanine Nucleotide Exchange Factor SOS1 and Modulate RAS Signaling.
J. Med. Chem., 61, 2018
6BVM
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BU of 6bvm by Molmil
Ras:SOS:Ras in complex with a small molecule activator
Descriptor: (2S)-2-amino-1-[(3aR,6aS)-5-[(5-chloro-1H-indol-3-yl)methyl]hexahydropyrrolo[3,4-c]pyrrol-2(1H)-yl]-3-(1H-indol-3-yl)propan-1-one, FORMIC ACID, GLYCEROL, ...
Authors:Phan, J, Abbott, J, Fesik, S.W.
Deposit date:2017-12-13
Release date:2018-10-24
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (1.796 Å)
Cite:Discovery of Aminopiperidine Indoles That Activate the Guanine Nucleotide Exchange Factor SOS1 and Modulate RAS Signaling.
J. Med. Chem., 61, 2018
6BVK
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BU of 6bvk by Molmil
Ras:SOS:Ras in complex with a small molecule activator
Descriptor: FORMIC ACID, GLYCEROL, GTPase HRas, ...
Authors:Phan, J, Abbott, J, Fesik, S.W.
Deposit date:2017-12-13
Release date:2018-10-24
Last modified:2019-05-01
Method:X-RAY DIFFRACTION (1.799 Å)
Cite:Discovery of Aminopiperidine Indoles That Activate the Guanine Nucleotide Exchange Factor SOS1 and Modulate RAS Signaling.
J. Med. Chem., 61, 2018

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數據於2024-06-26公開中

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