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7XMK
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BU of 7xmk by Molmil
Crystal structure of human RIPK1 kinase domain in complex with compound SKLB923
Descriptor: 5-[2-(cyclopropylcarbonylamino)-[1,2,4]triazolo[1,5-a]pyridin-7-yl]-N-[(1S)-1-(3-fluorophenyl)ethyl]-1-methyl-indole-3-carboxamide, IODIDE ION, Receptor-interacting serine/threonine-protein kinase 1
Authors:Zhang, L, Wang, Y, Li, Y, Yang, S.
Deposit date:2022-04-26
Release date:2023-04-26
Last modified:2024-05-15
Method:X-RAY DIFFRACTION (2.376 Å)
Cite:From Hit to Lead: Structure-Based Optimization of Novel Selective Inhibitors of Receptor-Interacting Protein Kinase 1 (RIPK1) for the Treatment of Inflammatory Diseases.
J.Med.Chem., 67, 2024
6LIT
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BU of 6lit by Molmil
Estrogen-related receptor beta(ERR2) in complex with BPA
Descriptor: 10-mer from Nuclear receptor coactivator 2, 4,4'-PROPANE-2,2-DIYLDIPHENOL, Steroid hormone receptor ERR2
Authors:Yao, B.Q, Li, Y.
Deposit date:2019-12-13
Release date:2020-10-07
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2 Å)
Cite:Structural Insights into the Specificity of Ligand Binding and Coactivator Assembly by Estrogen-Related Receptor beta.
J.Mol.Biol., 432, 2020
6LH4
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BU of 6lh4 by Molmil
Crystal structural of MacroD1-ADPr complex
Descriptor: ADP-ribose glycohydrolase MACROD1, [(2R,3S,4R,5R)-5-(6-AMINOPURIN-9-YL)-3,4-DIHYDROXY-OXOLAN-2-YL]METHYL [HYDROXY-[[(2R,3S,4R,5S)-3,4,5-TRIHYDROXYOXOLAN-2-YL]METHOXY]PHOSPHORYL] HYDROGEN PHOSPHATE
Authors:Yang, X, Ma, Y, Li, Y.
Deposit date:2019-12-06
Release date:2020-12-09
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.999 Å)
Cite:Molecular basis for the MacroD1-mediated hydrolysis of ADP-ribosylation.
DNA Repair (Amst), 94, 2020
6LN4
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BU of 6ln4 by Molmil
Estrogen-related receptor beta(ERR2) in complex with PGC1a-2a
Descriptor: 10-mer from Peroxisome proliferator-activated receptor gamma coactivator 1-alpha, Steroid hormone receptor ERR2
Authors:Yao, B.Q, Li, Y.
Deposit date:2019-12-28
Release date:2020-10-07
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.61 Å)
Cite:Structural Insights into the Specificity of Ligand Binding and Coactivator Assembly by Estrogen-Related Receptor beta.
J.Mol.Biol., 432, 2020
7CCG
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BU of 7ccg by Molmil
Crystal structure of ClA1, a kind of a chlorinase from soil bacteria
Descriptor: 5'-CHLORO-5'-DEOXYADENOSINE, DNA-directed RNA polymerase subunit delta, METHIONINE
Authors:Ouyang, Z, Li, Y.
Deposit date:2020-06-17
Release date:2020-09-09
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Crystal structure of ClA1, a type of chlorinase from soil bacteria.
Biochem.Biophys.Res.Commun., 530, 2020
6KTR
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BU of 6ktr by Molmil
Crystal structure of fibroblast growth factor 19 in complex with Fab
Descriptor: Fibroblast growth factor 19, G1A8-Fab-HC, G1A8-Fab-LC, ...
Authors:Liu, H, Zheng, S, Hou, X, Liu, X, Lv, X, Li, Y, Li, W, Sui, J.
Deposit date:2019-08-28
Release date:2020-07-08
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.59775758 Å)
Cite:Novel Abs targeting the N-terminus of fibroblast growth factor 19 inhibit hepatocellular carcinoma growth without bile-acid-related side-effects.
Cancer Sci., 111, 2020
7DNO
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BU of 7dno by Molmil
Characterization of Peptide Ligands Against WDR5 Isolated Using Phage Display Technique
Descriptor: CYS-ARG-THR-LEU-PRO-PHE, WD repeat-containing protein 5
Authors:Cao, J, Cao, D, Xiong, B, Li, Y, Fan, T.
Deposit date:2020-12-10
Release date:2021-02-10
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.03 Å)
Cite:Phage-Display Based Discovery and Characterization of Peptide Ligands against WDR5.
Molecules, 26, 2021
6KG7
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BU of 6kg7 by Molmil
Cryo-EM Structure of the Mammalian Tactile Channel Piezo2
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Piezo-type mechanosensitive ion channel component 2
Authors:Wang, L, Zhou, H, Zhang, M, Liu, W, Deng, T, Zhao, Q, Li, Y, Lei, J, Li, X, Xiao, B.
Deposit date:2019-07-11
Release date:2019-09-04
Last modified:2020-07-29
Method:ELECTRON MICROSCOPY (3.8 Å)
Cite:Structure and mechanogating of the mammalian tactile channel PIEZO2.
Nature, 573, 2019
7D2L
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BU of 7d2l by Molmil
Crystal structure of the Cas12i1 R-loop complex before target DNA cleavage
Descriptor: 12i1-D647A, CITRIC ACID, DNA (26-MER), ...
Authors:Zhang, B, Luo, D.Y, Li, Y, OuYang, S.Y.
Deposit date:2020-09-16
Release date:2021-05-19
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (2.75 Å)
Cite:Mechanistic insights into the R-loop formation and cleavage in CRISPR-Cas12i1.
Nat Commun, 12, 2021
7D8C
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BU of 7d8c by Molmil
Crystal structure of the Cas12i1-crRNA binary complex
Descriptor: 12i1, CITRIC ACID, RNA (3-MER), ...
Authors:Zhang, B, Luo, D.Y, Li, Y, OuYang, S.Y.
Deposit date:2020-10-07
Release date:2021-05-19
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (3.6 Å)
Cite:Mechanistic insights into the R-loop formation and cleavage in CRISPR-Cas12i1.
Nat Commun, 12, 2021
7D3J
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BU of 7d3j by Molmil
Crystal structure of the Cas12i1 R-loop complex after target DNA cleavage
Descriptor: 12i1-WT, CITRIC ACID, DNA (23-MER), ...
Authors:Zhang, B, Luo, D.Y, Li, Y, OuYang, S.Y.
Deposit date:2020-09-19
Release date:2021-05-19
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.45 Å)
Cite:Mechanistic insights into the R-loop formation and cleavage in CRISPR-Cas12i1.
Nat Commun, 12, 2021
8XXL
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BU of 8xxl by Molmil
Cryo-EM structure of the human 40S ribosome with PDCD4
Descriptor: 18S rRNA, 40S ribosomal protein S10, 40S ribosomal protein S11, ...
Authors:Ye, X, Huang, Z, Li, Y, Wang, M, Cheng, J.
Deposit date:2024-01-18
Release date:2024-05-01
Last modified:2024-07-10
Method:ELECTRON MICROSCOPY (2.9 Å)
Cite:Human tumor suppressor PDCD4 directly interacts with ribosomes to repress translation.
Cell Res., 34, 2024
8HD5
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BU of 8hd5 by Molmil
The crystal structure of Hu protein in Staphylococcus aureus
Descriptor: DNA-binding protein HU
Authors:Liu, Y.H, Chen, H, Li, Y, Liu, B.
Deposit date:2022-11-03
Release date:2023-12-06
Method:X-RAY DIFFRACTION (2.14 Å)
Cite:The crystal structure of Hu protein in Staphylococcus aureus
To Be Published
8XXM
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BU of 8xxm by Molmil
Cryo-EM structure of the human 40S ribosome with PDCD4 and eIF3G
Descriptor: 18S rRNA, 40S ribosomal protein S10, 40S ribosomal protein S11, ...
Authors:Ye, X, Huang, Z, Li, Y, Wang, M, Cheng, J.
Deposit date:2024-01-18
Release date:2024-05-01
Last modified:2024-07-10
Method:ELECTRON MICROSCOPY (3.2 Å)
Cite:Human tumor suppressor PDCD4 directly interacts with ribosomes to repress translation.
Cell Res., 34, 2024
8XXN
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BU of 8xxn by Molmil
Cryo-EM structure of the human 43S ribosome with PDCD4
Descriptor: 18S rRNA, 40S ribosomal protein S10, 40S ribosomal protein S11, ...
Authors:Ye, X, Huang, Z, Li, Y, Wang, M, Cheng, J.
Deposit date:2024-01-18
Release date:2024-05-01
Last modified:2024-07-10
Method:ELECTRON MICROSCOPY (3.6 Å)
Cite:Human tumor suppressor PDCD4 directly interacts with ribosomes to repress translation.
Cell Res., 34, 2024
9AVA
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BU of 9ava by Molmil
Co-crystal structure of human TREX1 in complex with an inhibitor
Descriptor: (2R)-2-[(5R,6S,8R,9aS)-8-amino-1-oxo-5-(2-phenylethyl)hexahydro-1H-pyrrolo[1,2-a][1,4]diazepin-2(3H)-yl]-N-[(3,4-dichlorophenyl)methyl]-4-methylpentanamide, POTASSIUM ION, Three-prime repair exonuclease 1, ...
Authors:Dehghani-Tafti, S, Dong, A, Li, Y, Xu, J, Ackloo, S, Arrowsmith, C.H, Edwards, A.M, Halabelian, L, Structural Genomics Consortium (SGC)
Deposit date:2024-03-01
Release date:2024-05-15
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Co-crystal structure of human TREX1 in complex with an inhibitor
To be published
8W3V
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BU of 8w3v by Molmil
Crystal structure of human WDR41
Descriptor: WD repeat-containing protein 41
Authors:Hutchinson, A, Dong, A, Li, Y, Seitova, A, Bountra, C, Arrowsmith, C.H, Edwards, A.M, Halabelian, L, Structural Genomics Consortium (SGC)
Deposit date:2024-02-22
Release date:2024-03-27
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Crystal structure of human WDR41
To be published
9BHS
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BU of 9bhs by Molmil
Crystal structure of the WDR domain of human DCAF1 in complex with OICR-9939 compound
Descriptor: (4P)-N-[(1S)-3-amino-1-(3-chloro-4-fluorophenyl)-3-oxopropyl]-4-(4-chloro-2-fluorophenyl)-5-(1-methyl-1H-pyrazol-4-yl)-1H-pyrrole-3-carboxamide, DDB1- and CUL4-associated factor 1, UNKNOWN LIGAND
Authors:kimani, S, Dong, A, Li, Y, Seitova, A, Al-Awar, R, Wilson, B, Ackloo, S, Arrowsmith, C.H, Edwards, A.M, Halabelian, L, Structural Genomics Consortium (SGC)
Deposit date:2024-04-21
Release date:2024-05-01
Method:X-RAY DIFFRACTION (1.43 Å)
Cite:Crystal structure of the WDR domain of human DCAF1 in complex with OICR-9939 compound
To be published
7XTO
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BU of 7xto by Molmil
Structure of ClA2 reveal the Mechanism of soil bacterial derived chlorinase
Descriptor: 1-DEAZA-ADENOSINE, soil bacterial derived chlorinase
Authors:Liu, Y.H, Liu, Y, Li, Y.
Deposit date:2022-05-17
Release date:2023-01-25
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.48 Å)
Cite:Expression, purification and structure determination of the chlorinase ClA2.
Biochem.Biophys.Res.Commun., 628, 2022
9BHR
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BU of 9bhr by Molmil
Crystal structure of the WDR domain of human DCAF1 in complex with OICR-40155 compound
Descriptor: (4P)-N-[(1S)-3-amino-1-(3-chloro-4-fluorophenyl)-3-oxopropyl]-4-(4-chloro-2-fluorophenyl)-5-{(1E)-3-[(2-methoxyethyl)amino]-3-oxoprop-1-en-1-yl}-1H-pyrrole-3-carboxamide, DDB1- and CUL4-associated factor 1
Authors:kimani, S, Dong, A, Li, Y, Seitova, A, Al-Awar, R, Krausser, C, Wilson, B, Ackloo, S, Arrowsmith, C.H, Edwards, A.M, Halabelian, L, Structural Genomics Consortium (SGC)
Deposit date:2024-04-21
Release date:2024-05-08
Method:X-RAY DIFFRACTION (1.62 Å)
Cite:Crystal structure of the WDR domain of human DCAF1 in complex with OICR-40155 compound
To be published
6LX3
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BU of 6lx3 by Molmil
Cryo-EM structure of human secretory immunoglobulin A
Descriptor: Immunoglobulin J chain, Interleukin-2,Immunoglobulin heavy constant alpha 1, Polymeric immunoglobulin receptor
Authors:Wang, Y, Wang, G, Li, Y, Xiao, J.
Deposit date:2020-02-10
Release date:2020-05-27
Last modified:2020-07-22
Method:ELECTRON MICROSCOPY (3.15 Å)
Cite:Structural insights into secretory immunoglobulin A and its interaction with a pneumococcal adhesin.
Cell Res., 30, 2020
6LXW
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BU of 6lxw by Molmil
Cryo-EM structure of human secretory immunoglobulin A in complex with the N-terminal domain of SpsA
Descriptor: Immunoglobulin J chain, Interleukin-2,Immunoglobulin heavy constant alpha 1, Polymeric immunoglobulin receptor, ...
Authors:Wang, Y, Wang, G, Li, Y, Xiao, J.
Deposit date:2020-02-12
Release date:2020-05-27
Last modified:2020-07-22
Method:ELECTRON MICROSCOPY (3.27 Å)
Cite:Structural insights into secretory immunoglobulin A and its interaction with a pneumococcal adhesin.
Cell Res., 30, 2020
9BKS
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BU of 9bks by Molmil
Crystal structure of the Human TRIP12 WWE domain (isoform 2) in complex with ADP
Descriptor: ADENOSINE-5'-DIPHOSPHATE, Isoform 2 of E3 ubiquitin-protein ligase TRIP12
Authors:Kimani, S, Dong, A, Li, Y, Arrowsmith, C.H, Edwards, A.M, Halabelian, L, Structural Genomics Consortium (SGC)
Deposit date:2024-04-29
Release date:2024-07-31
Method:X-RAY DIFFRACTION (1.17 Å)
Cite:Crystal structure of the Human TRIP12 WWE domain (isoform 2) in complex with ADP
To be published
9BKR
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BU of 9bkr by Molmil
Crystal structure of the Human TRIP12 WWE domain (isoform 2) in complex with ATP
Descriptor: ADENOSINE-5'-TRIPHOSPHATE, Isoform 2 of E3 ubiquitin-protein ligase TRIP12, UNKNOWN ATOM OR ION
Authors:Kimani, S, Dong, A, Li, Y, Arrowsmith, C.H, Edwards, A.M, Halabelian, L, Structural Genomics Consortium (SGC)
Deposit date:2024-04-29
Release date:2024-07-31
Method:X-RAY DIFFRACTION (1.4 Å)
Cite:Crystal structure of the Human TRIP12 WWE domain (isoform 2) in complex with ATP
To be published
9BUL
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BU of 9bul by Molmil
The structure of NiaR from Thermotoga maritima bound to nicotinic acid
Descriptor: FE (II) ION, NICOTINIC ACID, PROLINE, ...
Authors:Glasfeld, A, Cheng, D.W.C, Li, Y.
Deposit date:2024-05-17
Release date:2024-07-10
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:The structure of NiaR from Thermotoga maritima bound to nicotinic acid
To Be Published

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