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3L5P
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BU of 3l5p by Molmil
Crystal structure of macrophage migration inhibitory factor (MIF) with imidazopyridazinol inhibitor at 1.80A resolution
Descriptor: 2-(1-methylethyl)imidazo[1,2-b]pyridazin-6-ol, GLYCEROL, Macrophage migration inhibitory factor, ...
Authors:McLean, L, Zhang, Y.
Deposit date:2009-12-22
Release date:2010-03-09
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Fragment screening of inhibitors for MIF tautomerase reveals a cryptic surface binding site.
Bioorg.Med.Chem.Lett., 20, 2010
8WUY
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BU of 8wuy by Molmil
Crystal Structure of TR3 LBD in complex with para-positioned 3,4,5-trisubstituted benzene derivatives
Descriptor: Nuclear receptor subfamily 4immunitygroup A member 1, ~{N}-methyl-~{N}-octyl-3,4,5-tris(oxidanyl)benzamide
Authors:Hong, W.B, Chen, X.Q, Lin, T.W.
Deposit date:2023-10-21
Release date:2024-01-24
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Structure-based design and synthesis of anti-fibrotic compounds derived from para-positioned 3,4,5-trisubstituted benzene.
Bioorg.Chem., 144, 2024
6ASY
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BU of 6asy by Molmil
BiP-ATP2
Descriptor: 78 kDa glucose-regulated protein, ADENOSINE-5'-TRIPHOSPHATE, GLYCEROL, ...
Authors:Liu, Q, Yang, J, Zong, Y, Columbus, L, Zhou, L.
Deposit date:2017-08-26
Release date:2017-12-06
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Conformation transitions of the polypeptide-binding pocket support an active substrate release from Hsp70s.
Nat Commun, 8, 2017
5BWO
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BU of 5bwo by Molmil
Crystal Structure of Human SIRT3 in Complex with a Palmitoyl H3K9 Peptide
Descriptor: NAD-dependent protein deacetylase sirtuin-3, mitochondrial, PALMITIC ACID, ...
Authors:Gai, W, Jiang, H, Liu, D.
Deposit date:2015-06-08
Release date:2016-07-13
Last modified:2024-10-09
Method:X-RAY DIFFRACTION (2.376 Å)
Cite:Crystal structures of SIRT3 reveal that the alpha 2-alpha 3 loop and alpha 3-helix affect the interaction with long-chain acyl lysine.
Febs Lett., 590, 2016
3SOX
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BU of 3sox by Molmil
Structure of UHRF1 PHD finger in the free form
Descriptor: E3 ubiquitin-protein ligase UHRF1, ZINC ION
Authors:Rajakumara, E, Patel, D.J.
Deposit date:2011-06-30
Release date:2011-08-03
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (2.6501 Å)
Cite:PHD Finger Recognition of Unmodified Histone H3R2 Links UHRF1 to Regulation of Euchromatic Gene Expression.
Mol.Cell, 43, 2011
3WD5
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BU of 3wd5 by Molmil
Crystal structure of TNFalpha in complex with Adalimumab Fab fragment
Descriptor: Adalimumab Heavy Chain, Adalimumab Light Chain, Tumor necrosis factor
Authors:Hu, S, Liang, S.Y, Guo, Y.J, Lou, Z.Y.
Deposit date:2013-06-06
Release date:2013-08-14
Last modified:2024-10-09
Method:X-RAY DIFFRACTION (3.101 Å)
Cite:Comparison of the inhibition mechanisms of adalimumab and infliximab in treating tumor necrosis factor alpha-associated diseases from a molecular view
J.Biol.Chem., 288, 2013
5D0Q
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BU of 5d0q by Molmil
BamACDE complex, outer membrane beta-barrel assembly machinery (BAM) complex
Descriptor: Outer membrane protein assembly factor BamA, Outer membrane protein assembly factor BamC, Outer membrane protein assembly factor BamD, ...
Authors:Gu, Y, Paterson, N, Zeng, Y, Dong, H, Wang, W, Dong, C.
Deposit date:2015-08-03
Release date:2016-03-09
Method:X-RAY DIFFRACTION (3.5 Å)
Cite:Structural basis of outer membrane protein insertion by the BAM complex.
Nature, 531, 2016
7N8C
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BU of 7n8c by Molmil
Joint X-ray/neutron structure of SARS-CoV-2 main protease (Mpro) in complex with Mcule5948770040
Descriptor: 3C-like proteinase, 6-[4-(3,4-dichlorophenyl)piperazin-1-yl]carbonyl-1~{H}-pyrimidine-2,4-dione
Authors:Kovalevsky, A, Kneller, D.W, Coates, L.
Deposit date:2021-06-14
Release date:2021-06-23
Last modified:2023-10-25
Method:NEUTRON DIFFRACTION (2.2 Å), X-RAY DIFFRACTION
Cite:Structural, Electronic, and Electrostatic Determinants for Inhibitor Binding to Subsites S1 and S2 in SARS-CoV-2 Main Protease.
J.Med.Chem., 64, 2021
3SOW
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BU of 3sow by Molmil
Structure of UHRF1 PHD finger in complex with histone H3K4me3 1-9 peptide
Descriptor: E3 ubiquitin-protein ligase UHRF1, Histone H3, ZINC ION
Authors:Rajakumara, E, Patel, D.J.
Deposit date:2011-06-30
Release date:2011-08-03
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (1.9501 Å)
Cite:PHD Finger Recognition of Unmodified Histone H3R2 Links UHRF1 to Regulation of Euchromatic Gene Expression.
Mol.Cell, 43, 2011
2P1W
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BU of 2p1w by Molmil
structure of the phosphothreonine lyase SpvC, the effector protein from Salmonella
Descriptor: 27.5 kDa virulence protein
Authors:Zhu, Y, Wang, D.C, Shao, F.
Deposit date:2007-03-06
Release date:2007-12-11
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Structural insights into the enzymatic mechanism of the pathogenic MAPK phosphothreonine lyase.
Mol.Cell, 28, 2007
5D0O
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BU of 5d0o by Molmil
BamABCDE complex, outer membrane beta barrel assembly machinery entire complex
Descriptor: Outer membrane protein assembly factor BamA, Outer membrane protein assembly factor BamB, Outer membrane protein assembly factor BamC, ...
Authors:Gu, Y, Paterson, N, Zeng, Y, Dong, H, Wang, W, Dong, C.
Deposit date:2015-08-03
Release date:2016-03-09
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:Structural basis of outer membrane protein insertion by the BAM complex.
Nature, 531, 2016
6JCS
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BU of 6jcs by Molmil
AAV5 in complex with AAVR
Descriptor: Capsid protein, Dyslexia-associated protein KIAA0319-like protein
Authors:Lou, Z, Zhang, R.
Deposit date:2019-01-30
Release date:2019-08-14
Last modified:2024-03-27
Method:ELECTRON MICROSCOPY (3.18 Å)
Cite:Divergent engagements between adeno-associated viruses with their cellular receptor AAVR.
Nat Commun, 10, 2019
7V63
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BU of 7v63 by Molmil
Structure of dimeric uPAR at low pH
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Urokinase plasminogen activator surface receptor
Authors:Yuan, C, Huang, M.
Deposit date:2021-08-19
Release date:2021-12-22
Last modified:2022-04-06
Method:X-RAY DIFFRACTION (2.906 Å)
Cite:Crystal structure and cellular functions of uPAR dimer
Nat Commun, 13, 2022
6JCR
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BU of 6jcr by Molmil
AAV1 in neutral condition at 3.07 Ang
Descriptor: Capsid protein
Authors:Lou, Z, Zhang, R.
Deposit date:2019-01-30
Release date:2019-10-23
Last modified:2024-03-27
Method:ELECTRON MICROSCOPY (3.07 Å)
Cite:Divergent engagements between adeno-associated viruses with their cellular receptor AAVR.
Nat Commun, 10, 2019
2Q8Y
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BU of 2q8y by Molmil
Structural insight into the enzymatic mechanism of the phophothreonine lyase
Descriptor: 27.5 kDa virulence protein, Mitogen-activated protein kinase 7
Authors:Zhu, Y.-Q, Wang, D.-C, Shao, F.
Deposit date:2007-06-12
Release date:2007-12-11
Last modified:2024-10-09
Method:X-RAY DIFFRACTION (2 Å)
Cite:Structural insights into the enzymatic mechanism of the pathogenic MAPK phosphothreonine lyase
Mol.Cell, 28, 2007
3SOU
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BU of 3sou by Molmil
Structure of UHRF1 PHD finger in complex with histone H3 1-9 peptide
Descriptor: E3 ubiquitin-protein ligase UHRF1, Histone H3, ZINC ION
Authors:Rajakumara, E, Patel, D.J.
Deposit date:2011-06-30
Release date:2011-08-03
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.8001 Å)
Cite:PHD Finger Recognition of Unmodified Histone H3R2 Links UHRF1 to Regulation of Euchromatic Gene Expression.
Mol.Cell, 43, 2011
5H5P
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BU of 5h5p by Molmil
Crystal structure of Myelin-gene Regulatory Factor DNA binding domain
Descriptor: Myelin regulatory factor
Authors:Shi, N, Zhen, X, Li, B.
Deposit date:2016-11-09
Release date:2017-06-28
Last modified:2017-10-18
Method:X-RAY DIFFRACTION (2.461 Å)
Cite:Crystal structure of the DNA-binding domain of Myelin-gene Regulatory Factor.
Sci Rep, 7, 2017
3PNR
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BU of 3pnr by Molmil
Structure of PbICP-C in complex with falcipain-2
Descriptor: CADMIUM ION, Falcipain 2, GLYCEROL, ...
Authors:Hansen, G, Hilgenfeld, R.
Deposit date:2010-11-19
Release date:2011-07-27
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Structural basis for the regulation of cysteine-protease activity by a new class of protease inhibitors in Plasmodium.
Structure, 19, 2011
7EVR
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BU of 7evr by Molmil
Crystal structure of hnRNP L RRM2 in complex with SETD2
Descriptor: Heterogeneous nuclear ribonucleoprotein L, SHI domain from Histone-lysine N-methyltransferase SETD2
Authors:Li, F.D, Wang, S.M.
Deposit date:2021-05-22
Release date:2021-10-20
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Structural basis of the interaction between SETD2 methyltransferase and hnRNP L paralogs for governing co-transcriptional splicing.
Nat Commun, 12, 2021
7EVS
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BU of 7evs by Molmil
Crystal structure of hnRNP LL RRM2 in complex with SETD2
Descriptor: Heterogeneous nuclear ribonucleoprotein L-like, SHI domain from Histone-lysine N-methyltransferase SETD2, SULFATE ION
Authors:Li, F.D, Wang, S.M.
Deposit date:2021-05-22
Release date:2021-10-20
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Structural basis of the interaction between SETD2 methyltransferase and hnRNP L paralogs for governing co-transcriptional splicing.
Nat Commun, 12, 2021
4D3V
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BU of 4d3v by Molmil
Structure of Bacillus subtilis Nitric Oxide Synthase I218V in complex with N-{3-[(1S)-2-(3-{(Z)-[amino(thiophen-2-yl)methylidene]amino}phenoxy)-1-hydroxyethyl]phenyl}thiophene-2-carboximidamide
Descriptor: CHLORIDE ION, GLYCEROL, N-PROPANOL, ...
Authors:Holden, J.K, Poulos, T.L.
Deposit date:2014-10-23
Release date:2015-01-14
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (1.88 Å)
Cite:Structure-Based Design of Bacterial Nitric Oxide Synthase Inhibitors.
J.Med.Chem., 58, 2015
4D3J
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BU of 4d3j by Molmil
Structure of Bacillus subtilis Nitric Oxide Synthase in complex with 6,6'-(2,2'-(5-amino-1,3-phenylene)bis(ethane-2,1-diyl))bis(4- methylpyridin-2-amine)
Descriptor: 6,6'-[(5-aminobenzene-1,3-diyl)diethane-2,1-diyl]bis(4-methylpyridin-2-amine), CHLORIDE ION, DI(HYDROXYETHYL)ETHER, ...
Authors:Holden, J.K, Poulos, T.L.
Deposit date:2014-10-22
Release date:2015-01-14
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (1.67 Å)
Cite:Structure-Based Design of Bacterial Nitric Oxide Synthase Inhibitors.
J.Med.Chem., 58, 2015
4D3M
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BU of 4d3m by Molmil
Structure of Bacillus subtilis Nitric Oxide Synthase in complex with 3-(2-(6-Amino-4-methylpyridin-2-yl)ethyl)-5-(2-(4-methyl-6-(methylamino)pyridin-2-yl)ethyl)benzonitrile
Descriptor: 3-[2-(6-AMINO-4-METHYLPYRIDIN-2-YL)ETHYL]-5-{2-[4-METHYL-6-(METHYLAMINO)PYRIDIN-2-YL]ETHYL}BENZONITRILE, CHLORIDE ION, GLYCEROL, ...
Authors:Holden, J.K, Poulos, T.L.
Deposit date:2014-10-23
Release date:2015-01-14
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (1.741 Å)
Cite:Structure-based design of bacterial nitric oxide synthase inhibitors.
J. Med. Chem., 58, 2015
4FWV
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BU of 4fwv by Molmil
Crystal structure of the N-terminal domain of the Lon-like protease MtaLonC
Descriptor: SULFATE ION, TTC1975 peptidase
Authors:Chang, C.I, Li, J.K, Kuo, C.I, Huang, K.F.
Deposit date:2012-07-02
Release date:2013-06-26
Last modified:2014-03-12
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:The N-terminal substrate-recognition domain of a LonC protease exhibits structural and functional similarity to cytosolic chaperones
Acta Crystallogr.,Sect.D, 69, 2013
4D3K
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BU of 4d3k by Molmil
Structure of Bacillus subtilis nitric oxide synthase in complex with 6,6'-((5-(3-aminopropyl)-1,3-phenylene)bis(ethane-2,1-diyl))bis(4- methylpyridin-2-amine)
Descriptor: 6,6'-{[5-(3-aminopropyl)benzene-1,3-diyl]diethane-2,1-diyl}bis(4-methylpyridin-2-amine), CHLORIDE ION, DI(HYDROXYETHYL)ETHER, ...
Authors:Holden, J.K, Poulos, T.L.
Deposit date:2014-10-22
Release date:2015-01-14
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (2.017 Å)
Cite:Structure-Based Design of Bacterial Nitric Oxide Synthase Inhibitors.
J.Med.Chem., 58, 2015

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