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7FD6
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BU of 7fd6 by Molmil
Crystal structure of SmChiA in complex with 6a
Descriptor: 11-methyl-3-(pyridin-3-ylmethyl)-4H-pyrimido[5'',4'':5',6']pyrido[2',3':4,5]pyrimido[1,2-b]pyridine-4,6(3H)-dione, Chitinase A
Authors:Xi, J, Qing, Y.
Deposit date:2021-07-16
Release date:2022-07-20
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.79 Å)
Cite:Discovery of Conformation Constrained Tetracyclic Compounds as potent Chitinase OfChi-h inhibitor with novel binding mode
To Be Published
3U90
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BU of 3u90 by Molmil
apoferritin: complex with SDS
Descriptor: CADMIUM ION, DODECYL SULFATE, Ferritin light chain
Authors:Liu, R, Bu, W, Xi, J, Mortazavi, S.R, Cheung-Lau, J.C, Dmochowski, I.J, Loll, P.J.
Deposit date:2011-10-17
Release date:2012-04-25
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Beyond the detergent effect: a binding site for sodium dodecyl sulfate (SDS) in mammalian apoferritin.
Acta Crystallogr.,Sect.D, 68, 2012
1F0Z
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BU of 1f0z by Molmil
SOLUTION STRUCTURE OF THIS, THE SULFUR CARRIER PROTEIN IN E.COLI THIAMIN BIOSYNTHESIS
Descriptor: THIS PROTEIN
Authors:Wang, C, Xi, J, Begley, T.P, Nicholson, L.K.
Deposit date:2000-05-17
Release date:2001-01-10
Last modified:2022-02-16
Method:SOLUTION NMR
Cite:Solution structure of ThiS and implications for the evolutionary roots of ubiquitin.
Nat.Struct.Biol., 8, 2001
3RAV
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BU of 3rav by Molmil
Horse spleen apo-ferritin with bound Pentobarbital
Descriptor: 5-ethyl-5-[(2S)-pentan-2-yl]pyrimidine-2,4,6(1H,3H,5H)-trione, CADMIUM ION, Ferritin light chain, ...
Authors:Oakley, S.H, Vedula, L.S, Xi, J, Liu, R, Eckenhoff, R.G, Loll, P.J.
Deposit date:2011-03-28
Release date:2011-05-11
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:High resolution view of barbiturate recognition by a protein binding site
to be published
3RD0
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BU of 3rd0 by Molmil
Horse spleen apo-ferritin with bound thiopental
Descriptor: 5-ethyl-5-[(2R)-pentan-2-yl]-2-thioxodihydropyrimidine-4,6(1H,5H)-dione, CADMIUM ION, Ferritin light chain, ...
Authors:Oakley, S.H, Vedula, L.S, Xi, J, Liu, R, Eckenhoff, R.G, Loll, P.J.
Deposit date:2011-03-31
Release date:2011-05-11
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (2 Å)
Cite:High resolution view of barbiturate recognition by a protein binding site
to be published
2GYD
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BU of 2gyd by Molmil
Complex of equine apoferritin with the H-diaziflurane photolabeling reagent
Descriptor: 2-(1,1-DIFLUOROETHOXY)-1,1,1-TRIFLUOROETHANE, CADMIUM ION, ferritin L subunit
Authors:Loll, P.J, Rossi, M.J, Eckenhoff, R.
Deposit date:2006-05-09
Release date:2006-06-13
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (1.72 Å)
Cite:Photoactive analogues of the haloether anesthetics provide high-resolution features from low-affinity interactions.
Acs Chem.Biol., 1, 2006
3S7S
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BU of 3s7s by Molmil
Crystal structure of human placental aromatase complexed with breast cancer drug exemestane
Descriptor: (8alpha,10alpha,13alpha)-6-methylideneandrosta-1,4-diene-3,17-dione, Cytochrome P450 19A1, PROTOPORPHYRIN IX CONTAINING FE
Authors:Ghosh, D.
Deposit date:2011-05-26
Release date:2012-06-06
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (3.21 Å)
Cite:Novel aromatase inhibitors by structure-guided design.
J.Med.Chem., 55, 2012
3S79
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BU of 3s79 by Molmil
Human placental aromatase cytochrome P450 (CYP19A1) refined at 2.75 angstrom
Descriptor: 4-ANDROSTENE-3-17-DIONE, Cytochrome P450 19A1, PHOSPHATE ION, ...
Authors:Ghosh, D.
Deposit date:2011-05-26
Release date:2012-06-06
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (2.75 Å)
Cite:Novel aromatase inhibitors by structure-guided design.
J.Med.Chem., 55, 2012
4GL5
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BU of 4gl5 by Molmil
Structure of human placental aromatase complexed with designed inhibitor HDDG029 (compound 4)
Descriptor: (6alpha,8alpha)-6-(but-2-yn-1-yloxy)androsta-1,4-diene-3,17-dione, Cytochrome P450 19A1, PROTOPORPHYRIN IX CONTAINING FE
Authors:Ghosh, D.
Deposit date:2012-08-13
Release date:2012-09-12
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (3.48 Å)
Cite:Novel aromatase inhibitors by structure-guided design.
J.Med.Chem., 55, 2012
4GL7
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BU of 4gl7 by Molmil
Structure of human placental aromatase complexed with designed inhibitor HDDG046 (compound 5)
Descriptor: (6alpha,8alpha)-6-(pent-2-yn-1-yloxy)androsta-1,4-diene-3,17-dione, Cytochrome P450 19A1, PROTOPORPHYRIN IX CONTAINING FE
Authors:Ghosh, D.
Deposit date:2012-08-13
Release date:2012-09-12
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (3.9 Å)
Cite:Novel aromatase inhibitors by structure-guided design.
J.Med.Chem., 55, 2012
7TUK
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BU of 7tuk by Molmil
Small hepatitis B virus surface protein without cytosolic and antigenic loops
Descriptor: SAg protein
Authors:Liu, H, Wang, J.C.Y.
Deposit date:2022-02-02
Release date:2022-08-24
Last modified:2024-02-21
Method:ELECTRON MICROSCOPY (6.3 Å)
Cite:Cryo-EM structures of human hepatitis B and woodchuck hepatitis virus small spherical subviral particles.
Sci Adv, 8, 2022
7TUL
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BU of 7tul by Molmil
Woodchuck hepatitis small surface protein without cytosolic and antigenic loops
Descriptor: Large envelope protein
Authors:Liu, H, Wang, J.C.Y.
Deposit date:2022-02-02
Release date:2022-08-24
Last modified:2024-02-21
Method:ELECTRON MICROSCOPY (6.5 Å)
Cite:Cryo-EM structures of human hepatitis B and woodchuck hepatitis virus small spherical subviral particles.
Sci Adv, 8, 2022
2OK3
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BU of 2ok3 by Molmil
X-ray structure of human cyclophilin J at 2.0 angstrom
Descriptor: NICKEL (II) ION, Peptidyl-prolyl cis-trans isomerase-like 3
Authors:Xia, Z.
Deposit date:2007-01-15
Release date:2008-01-22
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (2 Å)
Cite:Targeting Cyclophilin J, a novel peptidyl-prolyl isomerase, can induce cellular G1/S arrest and repress the growth of Hepatocellular carcinoma
To be Published
2OJU
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BU of 2oju by Molmil
X-ray structure of complex of human cyclophilin J with cyclosporin A
Descriptor: CYCLOSPORIN A, PEPTIDYL-PROLYL CIS-TRANS ISOMERASE-LIKE 3
Authors:Xia, Z, Huang, L.
Deposit date:2007-01-14
Release date:2008-01-22
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Targeting Cyclophilin J, a Novel Peptidyl-Prolyl Isomerase, Can Induce Cellular G1/S Arrest and Repress the Growth of Hepatocellular Carcinoma
To be Published
3F39
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BU of 3f39 by Molmil
Apoferritin: complex with phenol
Descriptor: CADMIUM ION, Ferritin light chain, PHENOL, ...
Authors:Vedula, L.S, Economou, N.J, Rossi, M.J, Eckenhoff, R.G, Loll, P.J.
Deposit date:2008-10-30
Release date:2009-07-14
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:A unitary anesthetic binding site at high resolution.
J.Biol.Chem., 284, 2009
3F36
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BU of 3f36 by Molmil
Apoferritin: complex with 2-isopropylphenol
Descriptor: 2-(1-methylethyl)phenol, CADMIUM ION, Ferritin light chain, ...
Authors:Vedula, L.S, Economou, N.J, Rossi, M.J, Eckenhoff, R.G, Loll, P.J.
Deposit date:2008-10-30
Release date:2009-07-14
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:A unitary anesthetic binding site at high resolution.
J.Biol.Chem., 284, 2009
3F38
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BU of 3f38 by Molmil
Apoferritin: complex with 2,6-dimethylphenol
Descriptor: 2,6-dimethylphenol, CADMIUM ION, Ferritin light chain, ...
Authors:Vedula, L.S, Economou, N.J, Rossi, M.J, Eckenhoff, R.G, Loll, P.J.
Deposit date:2008-10-30
Release date:2009-07-14
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:A unitary anesthetic binding site at high resolution.
J.Biol.Chem., 284, 2009
3F32
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BU of 3f32 by Molmil
Horse spleen apoferritin
Descriptor: CADMIUM ION, Ferritin light chain, SULFATE ION
Authors:Vedula, L.S, Economou, N.J, Rossi, M.J, Eckenhoff, R.G, Loll, P.J.
Deposit date:2008-10-30
Release date:2009-07-14
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:A unitary anesthetic binding site at high resolution.
J.Biol.Chem., 284, 2009
3F37
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BU of 3f37 by Molmil
Apoferritin: complex with 2,6-dimethylphenol
Descriptor: 2,6-dimethylphenol, ACETATE ION, CADMIUM ION, ...
Authors:Vedula, L.S, Economou, N.J, Rossi, M.J, Eckenhoff, R.G, Loll, P.J.
Deposit date:2008-10-30
Release date:2009-07-14
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (1.54 Å)
Cite:A unitary anesthetic binding site at high resolution.
J.Biol.Chem., 284, 2009
3F35
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BU of 3f35 by Molmil
Apoferritin: complex with 2,6-diethylphenol
Descriptor: 2,6-diethylphenol, CADMIUM ION, Ferritin light chain, ...
Authors:Vedula, L.S, Economou, N.J, Rossi, M.J, Eckenhoff, R.G, Loll, P.J.
Deposit date:2008-10-30
Release date:2009-07-14
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (1.92 Å)
Cite:A unitary anesthetic binding site at high resolution.
J.Biol.Chem., 284, 2009
3F33
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BU of 3f33 by Molmil
Apoferritin: complex with propofol
Descriptor: 2,6-BIS(1-METHYLETHYL)PHENOL, CADMIUM ION, Ferritin light chain, ...
Authors:Vedula, L.S, Economou, N.J, Rossi, M.J, Eckenhoff, R.G, Loll, P.J.
Deposit date:2008-10-30
Release date:2009-07-14
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:A unitary anesthetic binding site at high resolution.
J.Biol.Chem., 284, 2009
3F34
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BU of 3f34 by Molmil
Apoferritin: complex with 2,6-diethylphenol
Descriptor: 2,6-diethylphenol, ACETATE ION, CADMIUM ION, ...
Authors:Vedula, L.S, Economou, N.J, Rossi, M.J, Eckenhoff, R.G, Loll, P.J.
Deposit date:2008-10-30
Release date:2009-07-14
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (1.68 Å)
Cite:A unitary anesthetic binding site at high resolution.
J.Biol.Chem., 284, 2009
1ESQ
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BU of 1esq by Molmil
CRYSTAL STRUCTURE OF THIAZOLE KINASE MUTANT (C198S) WITH ATP AND THIAZOLE PHOSPHATE.
Descriptor: 4-METHYL-5-HYDROXYETHYLTHIAZOLE PHOSPHATE, ADENOSINE-5'-TRIPHOSPHATE, HYDROXYETHYLTHIAZOLE KINASE, ...
Authors:Campobasso, N, Mathews, I.I, Begley, T.P, Ealick, S.E.
Deposit date:2000-04-10
Release date:2000-08-09
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Crystal structure of 4-methyl-5-beta-hydroxyethylthiazole kinase from Bacillus subtilis at 1.5 A resolution.
Biochemistry, 39, 2000
1ESJ
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BU of 1esj by Molmil
CRYSTAL STRUCTURE OF THIAZOLE KINASE MUTANT (C198S)
Descriptor: HYDROXYETHYLTHIAZOLE KINASE, SULFATE ION
Authors:Campobasso, N, Mathews, I.I, Begley, T.P, Ealick, S.E.
Deposit date:2000-04-10
Release date:2000-08-09
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Crystal structure of 4-methyl-5-beta-hydroxyethylthiazole kinase from Bacillus subtilis at 1.5 A resolution.
Biochemistry, 39, 2000

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