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3BXM
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BU of 3bxm by Molmil
Structure of an inactive mutant of human glutamate carboxypeptidase II [GCPII(E424A)] in complex with N-acetyl-Asp-Glu (NAAG)
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, ...
Authors:Lubkowski, J, Barinka, C.
Deposit date:2008-01-14
Release date:2009-01-27
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (1.71 Å)
Cite:Reaction mechanism of glutamate carboxypeptidase II revealed by mutagenesis, X-ray crystallography, and computational methods.
Biochemistry, 48, 2009
1RGF
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BU of 1rgf by Molmil
HYDROLASE, GUANYLORIBONUCLEASE
Descriptor: RIBONUCLEASE, SULFATE ION
Authors:Sevcik, J, Dauter, Z, Lamzin, V.S, Wilson, K.S.
Deposit date:1995-06-05
Release date:1996-10-14
Last modified:2017-11-29
Method:X-RAY DIFFRACTION (1.2 Å)
Cite:Ribonuclease from Streptomyces aureofaciens at atomic resolution.
Acta Crystallogr.,Sect.D, 52, 1996
1UTR
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BU of 1utr by Molmil
UTEROGLOBIN-PCB COMPLEX (REDUCED FORM)
Descriptor: 4,4'-BIS([H]METHYLSULFONYL)-2,2',5,5'-TETRACHLOROBIPHENYL, UTEROGLOBIN
Authors:Hard, T, Barnes, H.J, Larsson, C, Gustafsson, J.-A, Lund, J.
Deposit date:1995-09-01
Release date:1995-12-07
Last modified:2024-05-22
Method:SOLUTION NMR
Cite:Solution structure of a mammalian PCB-binding protein in complex with a PCB.
Nat.Struct.Biol., 2, 1995
1RGG
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BU of 1rgg by Molmil
HYDROLASE, GUANYLORIBONUCLEASE
Descriptor: RIBONUCLEASE, SULFATE ION
Authors:Sevcik, J, Dauter, Z, Lamzin, V.S, Wilson, K.S.
Deposit date:1995-06-05
Release date:1996-10-14
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (1.2 Å)
Cite:Ribonuclease from Streptomyces aureofaciens at atomic resolution.
Acta Crystallogr.,Sect.D, 52, 1996
7ZPY
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BU of 7zpy by Molmil
Influenza polymerase A C-terminal domain of PA subunit with optimized small peptide inhibitor
Descriptor: METHOXY-ETHOXYL, Peptide inhibitor (ASP-TYR-ASN-PRO-TYR-LEU-LEU-TYR-LEU-LYS), Polymerase acidic protein
Authors:Radilova, K, Brynda, J.
Deposit date:2022-04-29
Release date:2022-10-26
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Thermodynamic and structural characterization of an optimized peptide-based inhibitor of the influenza polymerase PA-PB1 subunit interaction.
Antiviral Res., 208, 2022
4KPS
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BU of 4kps by Molmil
Structure and receptor binding specificity of the hemagglutinin H13 from avian influenza A virus H13N6
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Hemagglutinin, N-acetyl-alpha-neuraminic acid-(2-3)-beta-D-galactopyranose, ...
Authors:Lu, X, Qi, J, Shi, Y, Gao, G.
Deposit date:2013-05-14
Release date:2013-07-03
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.587 Å)
Cite:Structure and Receptor Binding Specificity of Hemagglutinin H13 from Avian Influenza A Virus H13N6
J.Virol., 87, 2013
1RGH
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BU of 1rgh by Molmil
HYDROLASE, GUANYLORIBONUCLEASE
Descriptor: RIBONUCLEASE, SULFATE ION
Authors:Sevcik, J, Dauter, Z, Lamzin, V.S, Wilson, K.S.
Deposit date:1995-06-05
Release date:1996-10-14
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (1.2 Å)
Cite:Ribonuclease from Streptomyces aureofaciens at atomic resolution.
Acta Crystallogr.,Sect.D, 52, 1996
4KPQ
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BU of 4kpq by Molmil
Structure and receptor binding specificity of the hemagglutinin H13 from avian influenza A virus H13N6
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Hemagglutinin
Authors:Lu, X, Qi, J, Shi, Y, Gao, G.
Deposit date:2013-05-14
Release date:2013-07-03
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.502 Å)
Cite:Structure and Receptor Binding Specificity of Hemagglutinin H13 from Avian Influenza A Virus H13N6
J.Virol., 87, 2013
1RSN
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BU of 1rsn by Molmil
RIBONUCLEASE (RNASE SA) (E.C.3.1.4.8) COMPLEXED WITH EXO-2',3'-CYCLOPHOSPHOROTHIOATE
Descriptor: GUANOSINE-2',3'-CYCLOPHOSPHOROTHIOATE, RIBONUCLEASE SA, SULFATE ION
Authors:Sevcik, J, Dauter, Z, Lamzin, V.S, Wilson, K.S.
Deposit date:1995-09-01
Release date:1995-12-07
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2 Å)
Cite:Complex of ribonuclease Sa with a cyclic nucleotide and a proposed model for the reaction intermediate.
Eur.J.Biochem., 216, 1993
2DTJ
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BU of 2dtj by Molmil
Crystal structure of regulatory subunit of aspartate kinase from Corynebacterium glutamicum
Descriptor: Aspartokinase, CITRIC ACID, THREONINE
Authors:Yoshida, A, Tomita, T, Fushinobu, S, Kuzuyama, T, Nishiyama, M.
Deposit date:2006-07-12
Release date:2007-05-01
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (1.58 Å)
Cite:Structural Insight into Concerted Inhibition of alpha(2)beta(2)-Type Aspartate Kinase from Corynebacterium glutamicum
J.Mol.Biol., 368, 2007
6SON
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BU of 6son by Molmil
2 minute Fe2+ soak structure of SynFtn variant D137A
Descriptor: CHLORIDE ION, FE (III) ION, Ferritin
Authors:Hemmings, A.M, Bradley, J.M.
Deposit date:2019-08-29
Release date:2020-01-29
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Routes of iron entry into, and exit from, the catalytic ferroxidase sites of the prokaryotic ferritin SynFtn.
Dalton Trans, 49, 2020
6SOP
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BU of 6sop by Molmil
Metal free structure of SynFtn variant E62A
Descriptor: CHLORIDE ION, Ferritin
Authors:Hemmings, A.M, Bradley, J.M.
Deposit date:2019-08-29
Release date:2020-01-29
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.93 Å)
Cite:Routes of iron entry into, and exit from, the catalytic ferroxidase sites of the prokaryotic ferritin SynFtn.
Dalton Trans, 49, 2020
4J6I
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BU of 4j6i by Molmil
Discovery of thiazolobenzoxepin PI3-kinase inhibitors that spare the PI3-kinase beta isoform
Descriptor: 2-methyl-1-(4-{2-[1-(2,2,2-trifluoroethyl)-1H-1,2,4-triazol-5-yl]-4,5-dihydro[1]benzoxepino[5,4-d][1,3]thiazol-8-yl}-1H-pyrazol-1-yl)propan-2-ol, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform
Authors:Murray, J.M, Rouge, L, Wu, P.
Deposit date:2013-02-11
Release date:2013-08-28
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:Discovery of thiazolobenzoxepin PI3-kinase inhibitors that spare the PI3-kinase beta isoform.
Bioorg.Med.Chem.Lett., 23, 2013
6SOM
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BU of 6som by Molmil
Metal free structure of SynFtn variant D137A
Descriptor: CHLORIDE ION, Ferritin
Authors:Hemmings, A.M, Bradley, J.M.
Deposit date:2019-08-29
Release date:2020-01-29
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2.15 Å)
Cite:Routes of iron entry into, and exit from, the catalytic ferroxidase sites of the prokaryotic ferritin SynFtn.
Dalton Trans, 49, 2020
6SOQ
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BU of 6soq by Molmil
2 minute Fe2+ soaked structure of SynFtn variant E62A
Descriptor: CHLORIDE ION, FE (III) ION, Ferritin
Authors:Hemmings, A.M, Bradley, J.M.
Deposit date:2019-08-29
Release date:2020-01-29
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.67 Å)
Cite:Routes of iron entry into, and exit from, the catalytic ferroxidase sites of the prokaryotic ferritin SynFtn.
Dalton Trans, 49, 2020
1FK9
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BU of 1fk9 by Molmil
CRYSTAL STRUCTURE OF HIV-1 REVERSE TRANSCRIPTASE IN COMPLEX WITH DMP-266(EFAVIRENZ)
Descriptor: (-)-6-CHLORO-4-CYCLOPROPYLETHYNYL-4-TRIFLUOROMETHYL-1,4-DIHYDRO-2H-3,1-BENZOXAZIN-2-ONE, HIV-1 RT, A-CHAIN, ...
Authors:Ren, J, Milton, J, Weaver, K.L, Short, S.A, Stuart, D.I, Stammers, D.K.
Deposit date:2000-08-09
Release date:2000-11-03
Last modified:2017-02-01
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Structural basis for the resilience of efavirenz (DMP-266) to drug resistance mutations in HIV-1 reverse transcriptase.
STRUCTURE FOLD.DES., 8, 2000
7KDT
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BU of 7kdt by Molmil
Human Tom70 in complex with SARS CoV2 Orf9b
Descriptor: Mitochondrial import receptor subunit TOM70, ORF9b protein
Authors:QCRG Structural Biology Consortium
Deposit date:2020-10-09
Release date:2020-10-21
Last modified:2024-03-06
Method:ELECTRON MICROSCOPY (3.05 Å)
Cite:Comparative host-coronavirus protein interaction networks reveal pan-viral disease mechanisms.
Science, 370, 2020
1FKP
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BU of 1fkp by Molmil
CRYSTAL STRUCTURE OF NNRTI RESISTANT K103N MUTANT HIV-1 REVERSE TRANSCRIPTASE IN COMPLEX WITH NEVIRAPINE
Descriptor: 11-CYCLOPROPYL-5,11-DIHYDRO-4-METHYL-6H-DIPYRIDO[3,2-B:2',3'-E][1,4]DIAZEPIN-6-ONE, HIV-1 RT, A-CHAIN, ...
Authors:Ren, J, Milton, J, Weaver, K.L, Short, S.A, Stuart, D.I, Stammers, D.K.
Deposit date:2000-08-10
Release date:2000-11-03
Last modified:2018-03-14
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:Structural basis for the resilience of efavirenz (DMP-266) to drug resistance mutations in HIV-1 reverse transcriptase.
Structure Fold.Des., 8, 2000
1FKO
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BU of 1fko by Molmil
CRYSTAL STRUCTURE OF NNRTI RESISTANT K103N MUTANT HIV-1 REVERSE TRANSCRIPTASE IN COMPLEX WITH DMP-266(EFAVIRENZ)
Descriptor: (-)-6-CHLORO-4-CYCLOPROPYLETHYNYL-4-TRIFLUOROMETHYL-1,4-DIHYDRO-2H-3,1-BENZOXAZIN-2-ONE, HIV-1 RT, A-CHAIN, ...
Authors:Ren, J, Milton, J, Weaver, K.L, Short, S.A, Stuart, D.I, Stammers, D.K.
Deposit date:2000-08-10
Release date:2000-11-03
Last modified:2018-03-14
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:Structural basis for the resilience of efavirenz (DMP-266) to drug resistance mutations in HIV-1 reverse transcriptase.
Structure Fold.Des., 8, 2000
1SME
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BU of 1sme by Molmil
PLASMEPSIN II, A HEMOGLOBIN-DEGRADING ENZYME FROM PLASMODIUM FALCIPARUM, IN COMPLEX WITH PEPSTATIN A
Descriptor: PLASMEPSIN II, Pepstatin
Authors:Silva, A.M, Lee, A.Y, Gulnik, S.V, Goldberg, D.E, Erickson, J.W.
Deposit date:1996-06-11
Release date:1997-01-11
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Structure and inhibition of plasmepsin II, a hemoglobin-degrading enzyme from Plasmodium falciparum.
Proc.Natl.Acad.Sci.USA, 93, 1996
6SOR
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BU of 6sor by Molmil
20 minute Fe2+ soaked structure of SynFtn variant E62A
Descriptor: CHLORIDE ION, FE (III) ION, Ferritin
Authors:Hemmings, A.M, Bradley, J.M.
Deposit date:2019-08-29
Release date:2020-01-29
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.74 Å)
Cite:Routes of iron entry into, and exit from, the catalytic ferroxidase sites of the prokaryotic ferritin SynFtn.
Dalton Trans, 49, 2020
6SOO
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BU of 6soo by Molmil
20 minute Fe2+ soaked structure of SynFtn variant D137A
Descriptor: FE (III) ION, Ferritin
Authors:Hemmings, A.M, Bradley, J.M.
Deposit date:2019-08-29
Release date:2020-01-29
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.57 Å)
Cite:Routes of iron entry into, and exit from, the catalytic ferroxidase sites of the prokaryotic ferritin SynFtn.
Dalton Trans, 49, 2020
1RT7
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BU of 1rt7 by Molmil
HIV-1 REVERSE TRANSCRIPTASE COMPLEXED WITH UC84
Descriptor: 1-METHYL ETHYL 1-CHLORO-5-[[(5,6DIHYDRO-2-METHYL-1,4-OXATHIIN-3-YL)CARBONYL]AMINO]BENZOATE, HIV-1 REVERSE TRANSCRIPTASE, PHOSPHATE ION
Authors:Ren, J, Stammers, D.K, Stuart, D.I.
Deposit date:1998-07-29
Release date:1999-07-29
Last modified:2023-08-09
Method:X-RAY DIFFRACTION (3 Å)
Cite:Crystal structures of HIV-1 reverse transcriptase in complex with carboxanilide derivatives.
Biochemistry, 37, 1998
1RT6
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BU of 1rt6 by Molmil
HIV-1 REVERSE TRANSCRIPTASE COMPLEXED WITH UC38
Descriptor: 1-METHYL ETHYL 2-CHLORO-5-[[[(1-METHYLETHOXY)THIOOXO]METHYL]AMINO]-BENZOATE, HIV-1 REVERSE TRANSCRIPTASE, PHOSPHATE ION
Authors:Ren, J, Stammers, D.K, Stuart, D.I.
Deposit date:1998-07-29
Release date:1999-07-29
Last modified:2023-08-09
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Crystal structures of HIV-1 reverse transcriptase in complex with carboxanilide derivatives.
Biochemistry, 37, 1998
1RT5
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BU of 1rt5 by Molmil
HIV-1 REVERSE TRANSCRIPTASE COMPLEXED WITH UC10
Descriptor: HIV-1 REVERSE TRANSCRIPTASE, N-[4-CLORO-3-(T-BUTYLOXOME)PHENYL-2-METHYL-3-FURAN-CARBOTHIAMIDE, PHOSPHATE ION
Authors:Ren, J, Stammers, D.K, Stuart, D.I.
Deposit date:1998-07-29
Release date:1999-07-29
Last modified:2023-08-09
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:Crystal structures of HIV-1 reverse transcriptase in complex with carboxanilide derivatives.
Biochemistry, 37, 1998

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