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3GM6
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BU of 3gm6 by Molmil
Structure of the Thioalkalivibrio nitratireducens cytochrome c nitrite reductase in complex with phosphate
Descriptor: (4R)-2-METHYLPENTANE-2,4-DIOL, (4S)-2-METHYL-2,4-PENTANEDIOL, CALCIUM ION, ...
Authors:Trofimov, A.A, Polyakov, K.M, Boyko, K.M, Filimonenkov, A.A, Dorovatovsky, P.V, Tikhonova, T.V, Popov, V.O.
Deposit date:2009-03-13
Release date:2009-08-04
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Structure of octaheme cytochrome c nitrite reductase from Thioalkalivibrio nitratireducens in a complex with phosphate
Crystallography Reports, 55, 2010
1YMC
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BU of 1ymc by Molmil
THREE-DIMENSIONAL STRUCTURE OF CYANOMET-SULFMYOGLOBIN C
Descriptor: CYANIDE ION, CYANOMET-SULFMYOGLOBIN, SULFATE ION, ...
Authors:Evans, S.V, Brayer, G.D.
Deposit date:1993-09-27
Release date:1994-01-31
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (2 Å)
Cite:Three-dimensional structure of cyanomet-sulfmyoglobin C.
Proc.Natl.Acad.Sci.USA, 91, 1994
1DJH
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BU of 1djh by Molmil
PHOSPHOINOSITIDE-SPECIFIC PHOSPHOLIPASE C-DELTA1 FROM RAT COMPLEXED WITH BARIUM
Descriptor: ACETATE ION, BARIUM ION, PHOSPHOINOSITIDE-SPECIFIC PHOSPHOLIPASE C, ...
Authors:Essen, L.-O, Perisic, O, Williams, R.L.
Deposit date:1996-09-25
Release date:1997-07-07
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:A ternary metal binding site in the C2 domain of phosphoinositide-specific phospholipase C-delta1.
Biochemistry, 36, 1997
1KXN
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BU of 1kxn by Molmil
Crystal Structure of Cytochrome c Peroxidase with a Proposed Electron Transfer Pathway Excised to Form a Ligand Binding Channel.
Descriptor: PROTOPORPHYRIN IX CONTAINING FE, cytochrome c peroxidase
Authors:Rosenfeld, R.J, Hayes, A.M.A, Musah, R.A, Goodin, D.B.
Deposit date:2002-02-01
Release date:2002-03-06
Last modified:2023-08-16
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Excision of a proposed electron transfer pathway in cytochrome c peroxidase and its replacement by a ligand-binding channel.
Protein Sci., 11, 2002
1A1Q
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BU of 1a1q by Molmil
HEPATITIS C VIRUS NS3 PROTEINASE
Descriptor: NS3 PROTEINASE, ZINC ION
Authors:Love, R.A, Parge, H.E, Wickersham, J.A, Hostomsky, Z, Habuka, N, Moomaw, E.W, Adachi, T, Hostomska, Z.
Deposit date:1997-12-12
Release date:1998-03-25
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:The crystal structure of hepatitis C virus NS3 proteinase reveals a trypsin-like fold and a structural zinc binding site.
Cell(Cambridge,Mass.), 87, 1996
4BJA
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BU of 4bja by Molmil
Globin-like protein Glb-12 from C.elegans
Descriptor: ACETATE ION, PROTEIN GLB-12, PROTOPORPHYRIN IX CONTAINING FE, ...
Authors:De Henau, S, Tilleman, L, Germani, F, Pauwels, M, Vlaeminck, C, Vanfleteren, J.R, Bert, W, Pesce, A, Nardini, M, Bolognesi, M, De Wael, K, Moens, L, Dewilde, S, Braeckman, B.P.
Deposit date:2013-04-17
Release date:2014-05-07
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (1.65 Å)
Cite:A Redox Signalling Globin is Essential for Reproduction in Caenorhabditis Elegans.
Nat.Commun., 6, 2015
4E35
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BU of 4e35 by Molmil
Crystal structure of CFTR Associated Ligand (CAL) PDZ domain bound to iCAL36-L (ANSRWPTSIL) peptide
Descriptor: GLYCEROL, Golgi-associated PDZ and coiled-coil motif-containing protein, iCAL50 peptide
Authors:Amacher, J.F, Madden, D.R.
Deposit date:2012-03-09
Release date:2012-12-26
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (1.4 Å)
Cite:Stereochemical Determinants of C-terminal Specificity in PDZ Peptide-binding Domains: A NOVEL CONTRIBUTION OF THE CARBOXYLATE-BINDING LOOP.
J.Biol.Chem., 288, 2013
4B4V
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BU of 4b4v by Molmil
Crystal structure of Acinetobacter baumannii N5, N10- methylenetetrahydrofolate dehydrogenase-cyclohydrolase (FolD) complexed with NADP cofactor and inhibitor LY354899
Descriptor: 4-(7-AMINO-9-HYDROXY-1-OXO-3,3A,4,5-TETRAHYDRO-2,5,6,8,9B-PENTAAZA-CYCLOPENTA[A]NAPHTHALEN-2-YL)-PHENYLCARBONYL-GLUTAMI C ACID, BIFUNCTIONAL PROTEIN FOLD, CHLORIDE ION, ...
Authors:Eadsforth, T.C, Maluf, F.V, Hunter, W.N.
Deposit date:2012-08-01
Release date:2012-08-22
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (2 Å)
Cite:Acinetobacter Baumannii Fold Ligand Complexes; Potent Inhibitors of Folate Metabolism and a Re-Evaluation of the Ly374571 Structure.
FEBS J., 279, 2012
2PY9
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BU of 2py9 by Molmil
Protein-RNA Interaction involving KH1 domain from Human Poly(C)-Binding Protein-2
Descriptor: 12-mer C-rich strand of human telomeric RNA, Poly(rC)-binding protein 2
Authors:James, T.L, Du, Z, Lee, J.K.
Deposit date:2007-05-15
Release date:2007-06-12
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.56 Å)
Cite:X-ray crystallographic and NMR studies of protein-protein and protein-nucleic acid interactions involving the KH domains from human poly(C)-binding protein-2.
Rna, 13, 2007
4K0D
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BU of 4k0d by Molmil
Periplasmic sensor domain of sensor histidine kinase, Adeh_2942
Descriptor: ACETATE ION, CHLORIDE ION, Periplasmic sensor hybrid histidine kinase, ...
Authors:Pokkuluri, P.R, Mack, J.C, Bearden, J, Rakowski, E, Schiffer, M, Joachimiak, A, Midwest Center for Structural Genomics (MCSG)
Deposit date:2013-04-03
Release date:2013-06-12
Last modified:2015-04-15
Method:X-RAY DIFFRACTION (1.997 Å)
Cite:Analysis of periplasmic sensor domains from Anaeromyxobacter dehalogenans 2CP-C: structure of one sensor domain from a histidine kinase and another from a chemotaxis protein.
Microbiologyopen, 2, 2013
4KAB
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BU of 4kab by Molmil
FOCAL ADHESION KINASE CATALYTIC DOMAIN IN COMPLEX WITH 3-Methyl-1,4-dihydro-pyrazolo[4,5-c]pyrazole
Descriptor: 3-methyl-1,5-dihydropyrazolo[4,3-c]pyrazole, Focal adhesion kinase 1
Authors:Musil, D, Graedler, U, Heinrich, T, Lehmann, M, Dresing, V.
Deposit date:2013-04-22
Release date:2013-09-11
Last modified:2013-10-09
Method:X-RAY DIFFRACTION (2.71 Å)
Cite:Fragment-based discovery of focal adhesion kinase inhibitors.
Bioorg.Med.Chem.Lett., 23, 2013
1Z1D
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BU of 1z1d by Molmil
Structural Model for the interaction between RPA32 C-terminal domain and SV40 T antigen origin binding domain.
Descriptor: Large T antigen, Replication protein A 32 kDa subunit
Authors:Arunkumar, A.I, Klimovich, V, Jiang, X, Ott, R.D, Mizoue, L, Fanning, E, Chazin, W.J.
Deposit date:2005-03-03
Release date:2005-05-17
Last modified:2024-05-22
Method:SOLUTION NMR
Cite:Insights into hRPA32 C-terminal domain--mediated assembly of the simian virus 40 replisome.
Nat.Struct.Mol.Biol., 12, 2005
5Q0T
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BU of 5q0t by Molmil
Ligand binding to FARNESOID-X-RECEPTOR
Descriptor: 2-phenyl-N-(propan-2-yl)-6-[(thiophen-2-yl)sulfonyl]-4,5,6,7-tetrahydro-1H-pyrrolo[2,3-c]pyridine-1-carboxamide, Bile acid receptor, COACTIVATOR PEPTIDE SRC-1 HD3
Authors:Rudolph, M.G, Benz, J, Burger, D, Thoma, R, Ruf, A, Joseph, C, Kuhn, B, Shao, C, Yang, H, Burley, S.K.
Deposit date:2017-05-31
Release date:2017-07-05
Last modified:2024-05-22
Method:X-RAY DIFFRACTION (2.14 Å)
Cite:D3R Grand Challenge 2: blind prediction of protein-ligand poses, affinity rankings, and relative binding free energies.
J. Comput. Aided Mol. Des., 32, 2018
1U96
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BU of 1u96 by Molmil
Solution Structure of Yeast Cox17 with Copper Bound
Descriptor: COPPER (I) ION, Cytochrome c oxidase copper chaperone
Authors:Abajian, C, Yatsunyk, L.A, Ramirez, B.E, Rosenzweig, A.C.
Deposit date:2004-08-09
Release date:2004-10-05
Last modified:2024-05-01
Method:SOLUTION NMR
Cite:Yeast cox17 solution structure and Copper(I) binding.
J.Biol.Chem., 279, 2004
3F29
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BU of 3f29 by Molmil
Structure of the Thioalkalivibrio nitratireducens cytochrome c nitrite reductase in complex with sulfite
Descriptor: 1-(2-METHOXY-ETHOXY)-2-{2-[2-(2-METHOXY-ETHOXY]-ETHOXY}-ETHANE, CALCIUM ION, Eight-heme nitrite reductase, ...
Authors:Trofimov, A.A, Polyakov, K.M, Boyko, K.M, Slutsky, A, Tikhonova, T.V, Antipov, A.N, Zvyagilskaya, R.A, Popov, A.N, Lamzin, V.S, Bourenkov, G.P, Popov, V.O.
Deposit date:2008-10-29
Release date:2008-12-09
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (2 Å)
Cite:Binding of sulfite by the Thioalkalivibrio nitratireducens cytochrome c nitrite reductase
To be Published
1DJG
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BU of 1djg by Molmil
PHOSPHOINOSITIDE-SPECIFIC PHOSPHOLIPASE C-DELTA1 FROM RAT COMPLEXED WITH LANTHANUM
Descriptor: ACETATE ION, LANTHANUM (III) ION, PHOSPHOINOSITIDE-SPECIFIC PHOSPHOLIPASE C, ...
Authors:Essen, L.-O, Perisic, O, Williams, R.L.
Deposit date:1996-09-25
Release date:1997-07-07
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:A ternary metal binding site in the C2 domain of phosphoinositide-specific phospholipase C-delta1.
Biochemistry, 36, 1997
4K8B
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BU of 4k8b by Molmil
Crystal structure of HCV NS3/4A protease complexed with inhibitor
Descriptor: N-(tert-butylcarbamoyl)-3-methyl-L-valyl-(4R)-N-[(1R,2S)-1-carboxy-2-ethenylcyclopropyl]-4-[(7-methoxy-2-phenylquinolin-4-yl)oxy]-L-prolinamide, NS3 protease, Nonstructural protein, ...
Authors:Nar, H.
Deposit date:2013-04-18
Release date:2014-03-26
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Ligand bioactive conformation plays a critical role in the design of drugs that target the hepatitis C virus NS3 protease.
J.Med.Chem., 57, 2014
4MWF
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BU of 4mwf by Molmil
Structure of Hepatitis C Virus Envelope Glycoprotein E2 core bound to broadly neutralizing antibody AR3C
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Envelope glycoprotein E2, ...
Authors:Kong, L, Wilson, I.A, Law, M.
Deposit date:2013-09-24
Release date:2013-12-11
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (2.645 Å)
Cite:Hepatitis C virus e2 envelope glycoprotein core structure.
Science, 342, 2013
2L04
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BU of 2l04 by Molmil
The Solution Structure of the C-terminal Ig-like Domain of the Bacteriophage Lambda Tail Tube Protein
Descriptor: Major tail protein V
Authors:Pell, L.G, Gasmi-Seabrook, G.M.C, Donaldson, L.W, Howell, P, Davidson, A.R, Maxwell, K.L.
Deposit date:2010-06-30
Release date:2010-09-22
Last modified:2024-05-01
Method:SOLUTION NMR
Cite:The Solution Structure of the C-Terminal Ig-like Domain of the Bacteriophage l Tail Tube Protein.
J.Mol.Biol., 403, 2010
1ZC2
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BU of 1zc2 by Molmil
Crystal Structure of plasmid-encoded class C beta-lactamase CMY-2 complexed with citrate molecule
Descriptor: CITRIC ACID, beta-lactamase class C
Authors:Bauvois, C, Jacquamet, L, Fieulaine, S, Frere, J.-M, Galleni, M, Ferrer, J.-L.
Deposit date:2005-04-10
Release date:2006-04-25
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (2.09 Å)
Cite:Crystallographic structure of plasmid-encoded CMY-2 beta-lactamase revealed citrate molecule in the active site.
To be Published
3Q0Y
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BU of 3q0y by Molmil
N-terminal domain of C. reinhardtii SAS-6 homolog Bld12p
Descriptor: Centriole protein
Authors:Kitagawa, D, Vakonakis, I, Olieric, N, Hilbert, M, Keller, D, Olieric, V, Bortfeld, M, Erat, M.C, Flueckiger, I, Goenczy, P, Steinmetz, M.O.
Deposit date:2010-12-16
Release date:2011-02-09
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Structural basis of the 9-fold symmetry of centrioles.
Cell(Cambridge,Mass.), 144, 2011
1UPD
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BU of 1upd by Molmil
Oxidized STRUCTURE OF CYTOCHROME C3 FROM DESULFOVIBRIO DESULFURICANS ATCC 27774 AT PH 7.6
Descriptor: CYTOCHROME C3, HEME C
Authors:Bento, I, Matias, P.M, Baptista, A.M, Da Costa, P.N, Van Dongen, W.M.A.M, Saraiva, L.M, Schneider, T.R, Soares, C.M, Carrondo, M.A.
Deposit date:2003-09-29
Release date:2004-09-30
Last modified:2019-05-22
Method:X-RAY DIFFRACTION (1.4 Å)
Cite:Molecular Basis for Redox-Bohr and Cooperative Effects in Cytochrome C3 from Desulfovibrio Desulfuricans Atcc 27774: Crystallographic and Modeling Studies of Oxidized and Reduced High-Resolution Structures at Ph 7.6
Proteins, 54, 2004
1Z4U
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BU of 1z4u by Molmil
hepatitis C virus NS5B RNA-dependent RNA polymerase complex with inhibitor PHA-00799585
Descriptor: (2Z)-2-[(1-ADAMANTYLCARBONYL)AMINO]-3-[4-(2-BROMOPHENOXY)PHENYL]PROP-2-ENOIC ACID, CHLORIDE ION, GLYCEROL, ...
Authors:Pfefferkorn, J.A, Greene, M, Nugent, R, Gross, R.J, Mitchell, M.A, Finzel, B.C, Harris, M.S, Wells, P.A, Shelly, J.A, Anstadt, R.
Deposit date:2005-03-16
Release date:2005-06-07
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Inhibitors of HCV NS5B polymerase. Part 2: Evaluation of the northern region of (2Z)-2-benzoylamino-3-(4-phenoxy-phenyl)-acrylic acid
Bioorg.Med.Chem.Lett., 15, 2005
2ZK7
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BU of 2zk7 by Molmil
Structure of a C-terminal deletion mutant of Thermoplasma acidophilum aldohexose dehydrogenase (AldT)
Descriptor: Glucose 1-dehydrogenase related protein
Authors:Nishioka, T, Yasutake, Y, Nishiya, Y, Tamura, N, Tamura, T.
Deposit date:2008-03-12
Release date:2009-01-13
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (2.71 Å)
Cite:C-terminal tail derived from the neighboring subunit is critical for the activity of Thermoplasma acidophilum D-aldohexose dehydrogenase
Proteins, 74, 2009
1UP9
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BU of 1up9 by Molmil
REDUCED STRUCTURE OF CYTOCHROME C3 FROM DESULFOVIBRIO DESULFURICANS ATCC 27774 AT PH 7.6
Descriptor: CYTOCHROME C3, HEME C, SULFATE ION
Authors:Bento, I, Matias, P.M, Baptista, A.M, Da Costa, P.N, Van Dongen, W.M.A.M, Saraiva, L.M, Schneider, T.R, Soares, C.M, Carrondo, M.A.
Deposit date:2003-09-29
Release date:2004-09-30
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (1.35 Å)
Cite:Molecular Basis for Redox-Bohr and Cooperative Effects in Cytochrome C3 from Desulfovibrio Desulfuricans Atcc 27774: Crystallographic and Modeling Studies of Oxidized and Reduced High-Resolution Structures at Ph 7.6
Proteins, 54, 2004

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