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3D4X
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BU of 3d4x by Molmil
Crystal structure determination of cat (Felis silvestris catus) hemoglobin at 2.2 angstrom resolution
Descriptor: Hemoglobin subunit alpha, Hemoglobin subunit beta-A/B, PROTOPORPHYRIN IX CONTAINING FE
Authors:Balasubramanian, M, Sathya Moorthy, P, Neelagandan, K, Ponnuswamy, M.N.
Deposit date:2008-05-15
Release date:2009-05-19
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Crystal structure determination of cat (Felis silvestris catus) hemoglobin at 2.2 angstrom resolution
To be Published
4H10
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BU of 4h10 by Molmil
Intermolecular recognition revealed by the complex structure of human CLOCK-BMAL1 basic Helix-Loop-Helix domains with E-box DNA
Descriptor: Aryl hydrocarbon receptor nuclear translocator-like protein 1, Circadian locomoter output cycles protein kaput, E-box DNA antisense strand, ...
Authors:Wang, Z, Su, X.-D.
Deposit date:2012-09-10
Release date:2012-12-26
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.402 Å)
Cite:Intermolecular recognition revealed by the complex structure of human CLOCK-BMAL1 basic helix-loop-helix domains with E-box DNA.
Cell Res., 23, 2013
4H8Y
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BU of 4h8y by Molmil
Radiation damage study of lysozyme- 0.14 MGy
Descriptor: 1,2-ETHANEDIOL, CHLORIDE ION, Lysozyme C
Authors:Sutton, K.A, Snell, E.H.
Deposit date:2012-09-24
Release date:2013-05-15
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.1998 Å)
Cite:Insights into the mechanism of X-ray-induced disulfide-bond cleavage in lysozyme crystals based on EPR, optical absorption and X-ray diffraction studies.
Acta Crystallogr.,Sect.D, 69, 2013
4H1P
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BU of 4h1p by Molmil
Use of Europium for SAD Phasing at the Cu K alpha wavelength
Descriptor: CHLORIDE ION, EUROPIUM ION, Lysozyme C, ...
Authors:Vijayakumar, B, Velmurugan, D.
Deposit date:2012-09-11
Release date:2012-10-24
Last modified:2020-01-15
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Use of europium ions for SAD phasing of Lysozyme at the Cu Kalpha wavelength
Acta Crystallogr.,Sect.F, 69, 2013
4H93
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BU of 4h93 by Molmil
Radiation damage study of lysozyme - 0.49 MGy
Descriptor: 1,2-ETHANEDIOL, CHLORIDE ION, Lysozyme C
Authors:Sutton, K.A, Snell, E.H.
Deposit date:2012-09-24
Release date:2013-05-15
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.2003 Å)
Cite:Insights into the mechanism of X-ray-induced disulfide-bond cleavage in lysozyme crystals based on EPR, optical absorption and X-ray diffraction studies.
Acta Crystallogr.,Sect.D, 69, 2013
4H9A
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BU of 4h9a by Molmil
Radiation damage study of lysozyme - 0.63 MGy
Descriptor: 1,2-ETHANEDIOL, CHLORIDE ION, Lysozyme C
Authors:Sutton, K.A, Snell, E.H.
Deposit date:2012-09-24
Release date:2013-05-15
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.1997 Å)
Cite:Insights into the mechanism of X-ray-induced disulfide-bond cleavage in lysozyme crystals based on EPR, optical absorption and X-ray diffraction studies.
Acta Crystallogr.,Sect.D, 69, 2013
4GFY
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BU of 4gfy by Molmil
Design of peptide inhibitors of phospholipase A2: crystal Structure of phospholipase A2 complexed with a designed tetrapeptide Val - Ilu- Ala - Lys at 2.7 A resolution
Descriptor: Phospholipase A2 VRV-PL-VIIIa, SULFATE ION, VIAK
Authors:Shukla, P.K, Sinha, M, Dey, S, Kaur, P, Sharma, S, Singh, T.P.
Deposit date:2012-08-04
Release date:2012-08-22
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Design of peptide inhibitors of phospholipase A2: crystal Structure of phospholipase A2 complexed with a designed tetrapeptide Val - Ilu- Ala - Lys at 2.7 A resolution
To be Published
3D22
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BU of 3d22 by Molmil
Crystal structure of a poplar thioredoxin h mutant, PtTrxh4C61S
Descriptor: PHOSPHATE ION, Thioredoxin H-type
Authors:Koh, C.S, Didierjean, C, Corbier, C, Rouhier, N, Jacquot, J.P, Gelhaye, E.
Deposit date:2008-05-07
Release date:2008-07-01
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:An Atypical Catalytic Mechanism Involving Three Cysteines of Thioredoxin.
J.Biol.Chem., 283, 2008
3ZQK
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BU of 3zqk by Molmil
Von Willebrand Factor A2 domain with calcium
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, GLYCEROL, ...
Authors:Jakobi, A.J, Huizinga, E.G.
Deposit date:2011-06-09
Release date:2011-07-27
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Calcium Modulates Force Sensing by the Von Willebrand Factor A2 Domain.
Nat.Commun., 2, 2011
4H24
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BU of 4h24 by Molmil
Cytochrome P450BM3-CIS cyclopropanation catalyst
Descriptor: Cytochrome P450-BM3 variant P450BM3-Cis, PROTOPORPHYRIN IX CONTAINING FE
Authors:Coelho, P.S, Wang, Z.J, Ener, M.E, Baril, S.A, Kannan, A, Arnold, F.H, Brustad, E.M.
Deposit date:2012-09-11
Release date:2013-06-26
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:A serine-substituted P450 catalyzes highly efficient carbene transfer to olefins in vivo.
Nat.Chem.Biol., 9, 2013
4H3I
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BU of 4h3i by Molmil
Structure of BACE Bound to 3-(5-((7aR)-2-imino-6-(3-methoxypyridin-2-yl)-3-methyl-4-oxooctahydro-1H-pyrrolo[3,4-d]pyrimidin-7a-yl)thiophen-3-yl)benzonitrile
Descriptor: 3-{5-[(2E,4aR,7aR)-2-imino-6-(3-methoxypyridin-2-yl)-3-methyl-4-oxooctahydro-7aH-pyrrolo[3,4-d]pyrimidin-7a-yl]thiophen-3-yl}benzonitrile, Beta-secretase 1, L(+)-TARTARIC ACID
Authors:Strickland, C, Mandal, M.
Deposit date:2012-09-13
Release date:2012-11-07
Last modified:2012-11-21
Method:X-RAY DIFFRACTION (1.96 Å)
Cite:Design and Validation of Bicyclic Iminopyrimidinones As Beta Amyloid Cleaving Enzyme-1 (BACE1) Inhibitors: Conformational Constraint to Favor a Bioactive Conformation.
J.Med.Chem., 55, 2012
3D6I
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BU of 3d6i by Molmil
Structure of the Thioredoxin-like Domain of Yeast Glutaredoxin 3
Descriptor: Monothiol glutaredoxin-3, SULFATE ION
Authors:Lebioda, L, Gibson, L.M, Dingra, N.N, Outten, C.E.
Deposit date:2008-05-19
Release date:2008-09-02
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Structure of the thioredoxin-like domain of yeast glutaredoxin 3.
Acta Crystallogr.,Sect.D, 64, 2008
3D6O
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BU of 3d6o by Molmil
The RNase A- 5'-Deoxy-5'-N-(ethyl isonipecotatyl)uridine complex
Descriptor: 1-{5-deoxy-5-[4-(ethoxycarbonyl)piperidin-1-yl]-alpha-L-arabinofuranosyl}pyrimidine-2,4(1H,3H)-dione, Ribonuclease pancreatic
Authors:Leonidas, D.D, Zographos, S.E, Oikonomakos, N.G.
Deposit date:2008-05-20
Release date:2009-02-10
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (1.58 Å)
Cite:Morpholino, piperidino, and pyrrolidino derivatives of pyrimidine nucleosides as inhibitors of ribonuclease A: synthesis, biochemical, and crystallographic evaluation.
J.Med.Chem., 52, 2009
4GLV
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BU of 4glv by Molmil
OBody AM3L09 bound to hen egg-white lysozyme
Descriptor: 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, GLYCEROL, Lysozyme C, ...
Authors:Steemson, J.D.
Deposit date:2012-08-15
Release date:2013-08-21
Last modified:2014-02-12
Method:X-RAY DIFFRACTION (2.574 Å)
Cite:Tracking Molecular Recognition at the Atomic Level with a New Protein Scaffold Based on the OB-Fold.
Plos One, 9, 2014
3ZVQ
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BU of 3zvq by Molmil
Crystal Structure of proteolyzed lysozyme
Descriptor: LYSOZYME C
Authors:Kishan, K.V, Sharma, A.
Deposit date:2011-07-26
Release date:2011-10-19
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (2 Å)
Cite:Salt-assisted religation of proteolyzed Glutathione-S-transferase follows Hofmeister series.
Protein Pept.Lett., 17, 2010
3CLI
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BU of 3cli by Molmil
Crystal Structure of Arabidopsis thaliana Allene Oxide Synthase (AOS, cytochrome P450 74A, CYP74A) at 1.80 A Resolution
Descriptor: Allene Oxide Synthase, GLYCEROL, PROTOPORPHYRIN IX CONTAINING FE
Authors:Lee, D.-S, Nioche, P, Raman, C.S.
Deposit date:2008-03-19
Release date:2008-08-19
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Structural insights into the evolutionary paths of oxylipin biosynthetic enzymes
Nature, 455, 2008
3D97
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BU of 3d97 by Molmil
Crystal Structure of the R132K:R111L:L121E Mutant of Apo-Cellular Retinoic Acid Binding Protein Type II At 1.50 Angstroms Resolution
Descriptor: 2-[3-(2-HYDROXY-1,1-DIHYDROXYMETHYL-ETHYLAMINO)-PROPYLAMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Cellular retinoic acid-binding protein 2, SODIUM ION
Authors:Vaezeslami, S, Geiger, J.H.
Deposit date:2008-05-26
Release date:2008-07-22
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Determining Crystal Structures of Proteins and Protein Complexes by X-Ray Crystallography: X-Ray Crystallographic Studies of the Mutants of Cellular Retinoic Acid Binding Protein Type II Toward Designing a Mimic of Rhodopsin.
Thesis
4FUG
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BU of 4fug by Molmil
Crystal Structure of the Urokinase
Descriptor: ACETATE ION, GLYCEROL, SULFATE ION, ...
Authors:Kang, Y.N, Stuckey, J.A, Nienaber, V, Giranda, V.
Deposit date:2012-06-28
Release date:2012-08-22
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Crystal Structure of the Urokinase
to be published
3DAX
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BU of 3dax by Molmil
Crystal structure of human CYP7A1
Descriptor: Cytochrome P450 7A1, PROTOPORPHYRIN IX CONTAINING FE, UNKNOWN ATOM OR ION
Authors:Strushkevich, N.V, Tempel, W, Dombrovski, L, Dong, A, Loppnau, P, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Wilkstrom, M, Bochkarev, A, Park, H, Structural Genomics Consortium (SGC)
Deposit date:2008-05-30
Release date:2008-08-05
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2.15 Å)
Cite:Crystal structure of human CYP7A1
To be Published
4FU7
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BU of 4fu7 by Molmil
Crystal Structure of the Urokinase
Descriptor: 2-[(7-carbamimidoyl-2-methoxynaphthalen-1-yl)oxy]acetamide, ACETATE ION, SULFATE ION, ...
Authors:Kang, Y.N, Stuckey, J.A, Nienaber, V, Giranda, V.
Deposit date:2012-06-28
Release date:2012-08-22
Last modified:2017-11-15
Method:X-RAY DIFFRACTION (2 Å)
Cite:Crystal Structure of the Urokinase
to be published
3DCK
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BU of 3dck by Molmil
X-ray structure of D25N chemical analogue of HIV-1 protease complexed with ketomethylene isostere inhibitor
Descriptor: (2S)-2-{[(2R,5S)-5-{[(2S,3S)-2-{[(2S,3R)-2-(acetylamino)-3-hydroxybutanoyl]amino}-3-methylpentanoyl]amino}-2-butyl-4-oxononanoyl]amino}-N~1~-[(2S)-1-amino-5-carbamimidamido-1-oxopentan-2-yl]pentanediamide, Chemical analogue HIV-1 protease
Authors:Torbeev, V.Y, Mandal, K, Terechko, V.A, Kent, S.B.H.
Deposit date:2008-06-03
Release date:2008-08-19
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Crystal structure of chemically synthesized HIV-1 protease and a ketomethylene isostere inhibitor based on the p2/NC cleavage site
Bioorg.Med.Chem.Lett., 18, 2008
4FUE
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BU of 4fue by Molmil
Crystal Structure of the Urokinase
Descriptor: 6-(1,2,3,4-tetrahydroisoquinolin-6-ylethynyl)naphthalene-2-carboximidamide, ACETATE ION, GLYCEROL, ...
Authors:Kang, Y.N, Stuckey, J.A, Nienaber, V, Giranda, V.
Deposit date:2012-06-28
Release date:2012-08-22
Method:X-RAY DIFFRACTION (2 Å)
Cite:Crystal Structure of the Urokinase
to be published
3DCR
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BU of 3dcr by Molmil
X-ray structure of HIV-1 protease and hydrated form of ketomethylene isostere inhibitor
Descriptor: Chemical analogue HIV-1 protease, N~2~-[(2R,5S)-5-({(2S,3S)-2-[(N-acetyl-L-threonyl)amino]-3-methylpent-4-enoyl}amino)-2-butyl-4,4-dihydroxynonanoyl]-L-glutaminyl-L-argininamide
Authors:Torbeev, V.Y, Mandal, K, Terechko, V.A, Kent, S.B.H.
Deposit date:2008-06-04
Release date:2008-08-19
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (1.4 Å)
Cite:Crystal structure of chemically synthesized HIV-1 protease and a ketomethylene isostere inhibitor based on the p2/NC cleavage site
Bioorg.Med.Chem.Lett., 18, 2008
4H9C
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BU of 4h9c by Molmil
Radiation damage study of lysozyme - 0.77 MGy
Descriptor: 1,2-ETHANEDIOL, CHLORIDE ION, Lysozyme C
Authors:Sutton, K.A, Snell, E.H.
Deposit date:2012-09-24
Release date:2013-05-15
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.1998 Å)
Cite:Insights into the mechanism of X-ray-induced disulfide-bond cleavage in lysozyme crystals based on EPR, optical absorption and X-ray diffraction studies.
Acta Crystallogr.,Sect.D, 69, 2013
3ZG2
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BU of 3zg2 by Molmil
Sterol 14 alpha-demethylase (CYP51) from Trypanosoma cruzi in complex with the pyridine inhibitor (S)-2-(4-chlorophenyl)-2-(pyridin-3-yl)-1- (4-(4-(trifluoromethyl)phenyl)piperazin-1-yl)ethanone (EPL-BS1246,UDO)
Descriptor: (S)-2-(4-chlorophenyl)-2-pyridin-3-yl-1-[4-[4-(trifluoromethyl)phenyl]piperazin-1-yl]ethanone, PROTOPORPHYRIN IX CONTAINING FE, STEROL 14-ALPHA DEMETHYLASE
Authors:Hargrove, T.Y, Wawrzak, Z, Keenan, M, Chatelain, E, Lepesheva, G.I.
Deposit date:2012-12-14
Release date:2013-09-25
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Complexes of Trypanosoma Cruzi Sterol 14Alpha-Demethylase (Cyp51) with Two Pyridine-Based Drug Candidates for Chagas Disease: Structural Basis for Pathogen-Selectivity
J.Biol.Chem., 288, 2013

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