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1H23
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Structure of acetylcholinesterase (E.C. 3.1.1.7) complexed with (S,S)-(-)-bis(12)-hupyridone at 2.15A resolution
Descriptor: (S,S)-(-)-N,N'-DI-5'-[5',6',7',8'-TETRAHYDRO- 2'(1'H)-QUINOLYNYL]-1,12-DIAMINODODECANE DIHYDROCHLORIDE, 2-acetamido-2-deoxy-beta-D-glucopyranose, ACETYLCHOLINESTERASE
Authors:Wong, D.M, Greenblatt, H.M, Carlier, P.R, Han, Y.F, Pang, Y.P, Silman, I, Sussman, J.L.
Deposit date:2002-07-30
Release date:2002-12-23
Last modified:2024-11-13
Method:X-RAY DIFFRACTION (2.15 Å)
Cite:Acetylcholinesterase Complexed with Bivalent Ligands Related to Huperzine A: Experimental Evidence for Species-Dependent Protein-Ligand Complementarity
J.Am.Chem.Soc., 125, 2003
6KUC
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BU of 6kuc by Molmil
Crystal structure of Plasmodium falciparum histo-aspartic protease (HAP) zymogen (Form 2)
Descriptor: DI(HYDROXYETHYL)ETHER, GLYCEROL, HAP protein
Authors:Rathore, I, Mishra, V, Bhaumik, P.
Deposit date:2019-08-31
Release date:2020-05-27
Last modified:2024-10-30
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Activation mechanism of plasmepsins, pepsin-like aspartic proteases from Plasmodium, follows a unique trans-activation pathway.
Febs J., 288, 2021
1H22
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BU of 1h22 by Molmil
Structure of acetylcholinesterase (E.C. 3.1.1.7) complexed with (S,S)-(-)-bis(10)-hupyridone at 2.15A resolution
Descriptor: (S,S)-(-)-N,N'-DI-5'-[5',6',7',8'-TETRAHYDRO- 2'(1'H)-QUINOLYNYL]-1,10-DIAMINODECANE DIHYDROCHLORIDE, 2-acetamido-2-deoxy-beta-D-glucopyranose, ACETYLCHOLINESTERASE
Authors:Wong, D.M, Greenblatt, H.M, Carlier, P.R, Han, Y.-F, Pang, Y.-P, Silman, I, Sussman, J.L.
Deposit date:2002-07-30
Release date:2002-12-23
Last modified:2024-11-13
Method:X-RAY DIFFRACTION (2.15 Å)
Cite:Acetylcholinesterase Complexed with Bivalent Ligands Related to Huperzine A: Experimental Evidence for Species-Dependent Protein-Ligand Complementarity
J.Am.Chem.Soc., 125, 2003
6KUD
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BU of 6kud by Molmil
Crystal structure of Plasmodium falciparum histo-aspartic protease (HAP) zymogen (Form 3)
Descriptor: GLYCEROL, HAP protein
Authors:Rathore, I, Mishra, V, Bhaumik, P.
Deposit date:2019-08-31
Release date:2020-05-27
Last modified:2024-10-23
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:Activation mechanism of plasmepsins, pepsin-like aspartic proteases from Plasmodium, follows a unique trans-activation pathway.
Febs J., 288, 2021
6KUB
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BU of 6kub by Molmil
Crystal structure of Plasmodium falciparum histo-aspartic protease (HAP) zymogen (Form 1)
Descriptor: DI(HYDROXYETHYL)ETHER, GLYCEROL, HAP protein
Authors:Rathore, I, Mishra, V, Bhaumik, P.
Deposit date:2019-08-31
Release date:2020-05-27
Last modified:2024-10-30
Method:X-RAY DIFFRACTION (2 Å)
Cite:Activation mechanism of plasmepsins, pepsin-like aspartic proteases from Plasmodium, follows a unique trans-activation pathway.
Febs J., 288, 2021
9JUR
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BU of 9jur by Molmil
Crystal Structure of NHL domain of human E3 ubiquitin-protein ligase TRIM71
Descriptor: E3 ubiquitin-protein ligase TRIM71, MAGNESIUM ION
Authors:Lv, M.Q, Kazy, E.H.
Deposit date:2024-10-08
Release date:2025-04-30
Method:X-RAY DIFFRACTION (2.85 Å)
Cite:Human tripartite motif-containing protein 71 NCL-1/HT2A/LIN-41 domain crystal structure and its potential natural inhibitors.
Int.J.Biol.Macromol., 309, 2025
9JS5
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BU of 9js5 by Molmil
Crystal structure of the ASFV-derived histone-like protein pA104R
Descriptor: 1,2-ETHANEDIOL, SULFATE ION, Viral histone-like protein
Authors:Li, Q, Shao, H, Yi, D, Cen, S.
Deposit date:2024-09-30
Release date:2025-04-30
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Thonningianin A disrupts pA104R-DNA binding and inhibits African swine fever virus replication.
Emerg Microbes Infect, 14, 2025
6L0I
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BU of 6l0i by Molmil
Crystal structure of dihydroorotase in complex with malate at pH6.5 from Saccharomyces cerevisiae
Descriptor: (2S)-2-hydroxybutanedioic acid, Dihydroorotase, ZINC ION
Authors:Guan, H.H, Huang, Y.H, Huang, C.Y, Chen, C.J.
Deposit date:2019-09-26
Release date:2020-12-02
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Structural basis for the interaction modes of dihydroorotase with the anticancer drugs 5-fluorouracil and 5-aminouracil.
Biochem.Biophys.Res.Commun., 551, 2021
6L0F
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BU of 6l0f by Molmil
Crystal structure of dihydroorotase in complex with 5-Aminouracil from Saccharomyces cerevisiae
Descriptor: 5-AMINO-1H-PYRIMIDINE-2,4-DIONE, Dihydroorotase, ZINC ION
Authors:Guan, H.H, Huang, Y.H, Huang, C.Y, Chen, C.J.
Deposit date:2019-09-26
Release date:2020-12-02
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (3.26 Å)
Cite:Structural basis for the interaction modes of dihydroorotase with the anticancer drugs 5-fluorouracil and 5-aminouracil.
Biochem.Biophys.Res.Commun., 551, 2021
4XJB
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BU of 4xjb by Molmil
X-ray structure of Lysozyme1
Descriptor: CHLORIDE ION, Lysozyme C, SODIUM ION
Authors:Huang, C.Y, Olieric, V, Diederichs, K, Wang, M, Caffrey, M.
Deposit date:2015-01-08
Release date:2015-06-03
Last modified:2024-11-13
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:In meso in situ serial X-ray crystallography of soluble and membrane proteins.
Acta Crystallogr.,Sect.D, 71, 2015
4XJG
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BU of 4xjg by Molmil
X-ray structure of Lysozyme B2
Descriptor: BROMIDE ION, Lysozyme C, SODIUM ION
Authors:Huang, C.Y, Olieric, V, Diederichs, K, Wang, M, Caffrey, M.
Deposit date:2015-01-08
Release date:2015-06-03
Last modified:2024-10-23
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:In meso in situ serial X-ray crystallography of soluble and membrane proteins.
Acta Crystallogr.,Sect.D, 71, 2015
4XJI
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BU of 4xji by Molmil
X-ray structure of LysozymeS2
Descriptor: CHLORIDE ION, Lysozyme C, SODIUM ION
Authors:Huang, C.Y, Olieric, V, Diederichs, K, Wang, M, Caffrey, M.
Deposit date:2015-01-08
Release date:2015-06-03
Last modified:2024-10-23
Method:X-RAY DIFFRACTION (2 Å)
Cite:In meso in situ serial X-ray crystallography of soluble and membrane proteins.
Acta Crystallogr.,Sect.D, 71, 2015
4XJD
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BU of 4xjd by Molmil
X-ray structure of Lysozyme2
Descriptor: CHLORIDE ION, Lysozyme C, SODIUM ION
Authors:Huang, C.Y, Olieric, V, Diederichs, K, Wang, M, Caffrey, M.
Deposit date:2015-01-08
Release date:2015-06-03
Last modified:2024-11-13
Method:X-RAY DIFFRACTION (1.801 Å)
Cite:In meso in situ serial X-ray crystallography of soluble and membrane proteins.
Acta Crystallogr.,Sect.D, 71, 2015
4XJH
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BU of 4xjh by Molmil
X-ray structure of LysozymeS1
Descriptor: CHLORIDE ION, Lysozyme C, SODIUM ION
Authors:Huang, C.Y, Olieric, V, Diederichs, K, Wang, M, Caffrey, M.
Deposit date:2015-01-08
Release date:2015-06-03
Last modified:2024-10-23
Method:X-RAY DIFFRACTION (2 Å)
Cite:In meso in situ serial X-ray crystallography of soluble and membrane proteins.
Acta Crystallogr.,Sect.D, 71, 2015
6L0K
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BU of 6l0k by Molmil
Crystal structure of dihydroorotase in complex with malate at pH9 from Saccharomyces cerevisiae
Descriptor: (2S)-2-hydroxybutanedioic acid, Dihydroorotase, ZINC ION
Authors:Guan, H.H, Huang, Y.H, Huang, C.Y, Chen, C.J.
Deposit date:2019-09-26
Release date:2020-12-02
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (3.3 Å)
Cite:Structural basis for the interaction modes of dihydroorotase with the anticancer drugs 5-fluorouracil and 5-aminouracil.
Biochem.Biophys.Res.Commun., 551, 2021
6L0H
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BU of 6l0h by Molmil
Crystal structure of dihydroorotase in complex with malate at pH7 from Saccharomyces cerevisiae
Descriptor: (2S)-2-hydroxybutanedioic acid, Dihydroorotase, ZINC ION
Authors:Guan, H.H, Huang, Y.H, Huang, C.Y, Chen, C.J.
Deposit date:2019-09-26
Release date:2020-12-02
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.054 Å)
Cite:Structural basis for the interaction modes of dihydroorotase with the anticancer drugs 5-fluorouracil and 5-aminouracil.
Biochem.Biophys.Res.Commun., 551, 2021
6L0B
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BU of 6l0b by Molmil
Crystal structure of dihydroorotase in complex with fluorouracil from Saccharomyces cerevisiae
Descriptor: 5-FLUOROURACIL, Dihydroorotase, ZINC ION
Authors:Guan, H.H, Huang, Y.H, Huang, C.Y, Chen, C.J.
Deposit date:2019-09-26
Release date:2020-12-02
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Structural basis for the interaction modes of dihydroorotase with the anticancer drugs 5-fluorouracil and 5-aminouracil.
Biochem.Biophys.Res.Commun., 551, 2021
8AZC
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BU of 8azc by Molmil
Structure of SARS-CoV-2 NSP3 macrodomain in the apo form
Descriptor: 3[N-MORPHOLINO]PROPANE SULFONIC ACID, CHLORIDE ION, Papain-like protease nsp3
Authors:Sander, S, Tidow, H, Fliegert, R, Sandmann, M.
Deposit date:2022-09-05
Release date:2023-09-13
Last modified:2024-09-18
Method:X-RAY DIFFRACTION (0.93 Å)
Cite:Structure of SARS-CoV-2 NSP3 macrodomain in the apo form
To Be Published
9GYH
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BU of 9gyh by Molmil
HEW Lysozyme with His 15 functionalized with iodoacetamide
Descriptor: CHLORIDE ION, Lysozyme C, SODIUM ION
Authors:da Silva, J.S.P, Delgado, J.M.L, Bruno, F, Calderone, V, Ravera, E.
Deposit date:2024-10-02
Release date:2025-02-26
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:The structure of His15 acetamide-modified hen egg-white lysozyme: a nice surprise from an old friend.
Acta Crystallogr.,Sect.F, 81, 2025
4XJF
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BU of 4xjf by Molmil
X-ray structure of Lysozyme B1
Descriptor: BROMIDE ION, Lysozyme C, SODIUM ION
Authors:Huang, C.Y, Olieric, V, Diederichs, K, Wang, M, Caffrey, M.
Deposit date:2015-01-08
Release date:2015-06-03
Last modified:2024-11-13
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:In meso in situ serial X-ray crystallography of soluble and membrane proteins.
Acta Crystallogr.,Sect.D, 71, 2015
6L0G
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BU of 6l0g by Molmil
Crystal structure of dihydroorotase in complex with malate at pH6 from Saccharomyces cerevisiae
Descriptor: (2S)-2-hydroxybutanedioic acid, Dihydroorotase, ZINC ION
Authors:Guan, H.H, Huang, Y.H, Huang, C.Y, Chen, C.J.
Deposit date:2019-09-26
Release date:2020-12-02
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.053 Å)
Cite:Structural basis for the interaction modes of dihydroorotase with the anticancer drugs 5-fluorouracil and 5-aminouracil.
Biochem.Biophys.Res.Commun., 551, 2021
4XNL
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BU of 4xnl by Molmil
X-ray structure of AlgE2
Descriptor: (2R)-2,3-DIHYDROXYPROPYL(7Z)-PENTADEC-7-ENOATE, (2S)-2,3-DIHYDROXYPROPYL(7Z)-PENTADEC-7-ENOATE, 3,6,9,12,15,18,21,24-OCTAOXAHEXACOSAN-1-OL, ...
Authors:Ma, P, Huang, C.Y, Olieric, V, Diederichs, K, Wang, M, Caffrey, M.
Deposit date:2015-01-15
Release date:2015-06-03
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:In meso in situ serial X-ray crystallography of soluble and membrane proteins.
Acta Crystallogr.,Sect.D, 71, 2015
6LH1
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BU of 6lh1 by Molmil
Crystal structure of a cysteine-pair mutant (Y113C-P190C) of a bacterial bile acid transporter trapped in an outward-facing conformation
Descriptor: 2,3-dihydroxypropyl (9Z)-octadec-9-enoate, CITRIC ACID, Transporter, ...
Authors:Wang, X, Lyu, Y, Ji, Y, Sun, Z, Zhou, X.
Deposit date:2019-12-06
Release date:2020-12-09
Last modified:2024-11-06
Method:X-RAY DIFFRACTION (2.861 Å)
Cite:An engineered disulfide bridge traps and validates an outward-facing conformation in a bile acid transporter.
Acta Crystallogr D Struct Biol, 77, 2021
6LIS
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BU of 6lis by Molmil
ASFV dUTPase in complex with dUMP
Descriptor: 2'-DEOXYURIDINE 5'-MONOPHOSPHATE, E165R
Authors:Liang, R, Peng, G.Q.
Deposit date:2019-12-12
Release date:2020-11-11
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.998 Å)
Cite:Structural comparisons of host and African swine fever virus dUTPases reveal new clues for inhibitor development.
J.Biol.Chem., 296, 2020
6LJ3
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BU of 6lj3 by Molmil
full length ASFV dUTPase in complex with alpha,beta-iminodUTP and magnesium ion
Descriptor: 2'-DEOXYURIDINE 5'-ALPHA,BETA-IMIDO-TRIPHOSPHATE, E165R, MAGNESIUM ION
Authors:Liang, R, Peng, G.Q.
Deposit date:2019-12-13
Release date:2020-11-11
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2 Å)
Cite:Structural comparisons of host and African swine fever virus dUTPases reveal new clues for inhibitor development.
J.Biol.Chem., 296, 2020

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