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5RDS
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BU of 5rds by Molmil
PanDDA analysis group deposition -- Endothiapepsin ground state model 49
Descriptor: Endothiapepsin
Authors:Weiss, M.S, Wollenhaupt, J, Metz, A, Barthel, T, Lima, G.M.A, Heine, A, Mueller, U, Klebe, G.
Deposit date:2020-03-24
Release date:2020-06-03
Last modified:2020-06-17
Method:X-RAY DIFFRACTION (0.97 Å)
Cite:F2X-Universal and F2X-Entry: Structurally Diverse Compound Libraries for Crystallographic Fragment Screening.
Structure, 28, 2020
2BF6
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BU of 2bf6 by Molmil
Atomic Resolution Structure of the bacterial sialidase NanI from Clostridium perfringens in complex with alpha-Sialic Acid (Neu5Ac).
Descriptor: CALCIUM ION, EXO-ALPHA-SIALIDASE, GLYCEROL, ...
Authors:Newstead, S, Taylor, G.L.
Deposit date:2004-12-04
Release date:2006-03-09
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (0.97 Å)
Cite:The Structure of Clostridium Perfringens Nani Sialidase and its Catalytic Intermediates.
J.Biol.Chem., 283, 2008
1ZLB
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BU of 1zlb by Molmil
Crystal structure of catalytically-active phospholipase A2 in the absence of calcium
Descriptor: hypotensive phospholipase A2
Authors:Murakami, M.T, Cintra, A.C, Gabdoulkhakov, A, Genov, N, Betzel, C, Arni, R.K.
Deposit date:2005-05-05
Release date:2006-04-25
Last modified:2017-10-11
Method:X-RAY DIFFRACTION (0.97 Å)
Cite:Insights into metal ion binding in phospholipases A(2): ultra high-resolution crystal structures of an acidic phospholipase A(2) in the Ca(2+) free and bound states.
Biochimie, 88, 2006
5A8C
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BU of 5a8c by Molmil
The ultra high resolution structure of a novel alpha-L-arabinofuranosidase (CtGH43) from Clostridium thermocellum ATCC 27405 with bound trimethyl N-Oxide (TRS)
Descriptor: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, CALCIUM ION, CARBOHYDRATE BINDING FAMILY 6
Authors:Goyal, A, Ahmed, S, Sharma, K, Fontes, C.M.G.A, Najmudin, S.
Deposit date:2015-07-14
Release date:2016-07-27
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (0.97 Å)
Cite:Molecular determinants of substrate specificity revealed by the structure of Clostridium thermocellum arabinofuranosidase 43A from glycosyl hydrolase family 43 subfamily 16.
Acta Crystallogr D Struct Biol, 72, 2016
6F81
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BU of 6f81 by Molmil
AKR1B1 at 0.75 MGy radiation dose.
Descriptor: Aldose reductase, CITRIC ACID, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE
Authors:Castellvi, A, Juanhuix, J.
Deposit date:2017-12-12
Release date:2019-03-13
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (0.97 Å)
Cite:Efficacy of aldose reductase inhibitors is affected by oxidative stress induced under X-ray irradiation.
Sci Rep, 9, 2019
8A3H
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BU of 8a3h by Molmil
Cellobiose-derived imidazole complex of the endoglucanase cel5A from Bacillus agaradhaerens at 0.97 A resolution
Descriptor: (5R,6R,7R,8S)-7,8-dihydroxy-5-(hydroxymethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl beta-D-glucopyranoside, ACETATE ION, GLYCEROL, ...
Authors:Varrot, A, Schulein, M, Pipelier, M, Vasella, A, Davies, G.J.
Deposit date:1999-01-20
Release date:2000-01-21
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (0.97 Å)
Cite:Lateral Protonation of a Glycosidase Inhibitor. Structure of the Bacillus agaradhaerens Cel5A in Complex with a Cellobiose-Derived Imidazole at 0.97 A Resolution
J.Am.Chem.Soc., 121, 1999
3DW4
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BU of 3dw4 by Molmil
Crystal Structure of the Sarcin/Ricin Domain from E. COLI 23 S rRNA, U2650-OCH3 modified
Descriptor: GLYCEROL, Sarcin/Ricin Domain from E. Coli 23 S rRNA
Authors:Olieric, V, Rieder, U, Lang, K, Serganov, A, Schulze-Briese, C, Micura, R, Dumas, P, Ennifar, E.
Deposit date:2008-07-21
Release date:2009-03-24
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (0.97 Å)
Cite:A fast selenium derivatization strategy for crystallization and phasing of RNA structures.
Rna, 15, 2009
7SPX
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BU of 7spx by Molmil
Crystal structure of photoactive yellow protein (PYP); F28oCNF construct
Descriptor: 4'-HYDROXYCINNAMIC ACID, Photoactive yellow protein
Authors:Weaver, J.B, Kirsh, J.M, Boxer, S.G.
Deposit date:2021-11-03
Release date:2022-05-11
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (0.97 Å)
Cite:Nitrile Infrared Intensities Characterize Electric Fields and Hydrogen Bonding in Protic, Aprotic, and Protein Environments.
J.Am.Chem.Soc., 144, 2022
1TG0
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BU of 1tg0 by Molmil
0.97-A structure of the SH3 domain of bbc1
Descriptor: Myosin tail region-interacting protein MTI1
Authors:Kursula, P, Kursula, I, Lehmann, F, Song, Y.H, Wilmanns, M.
Deposit date:2004-05-28
Release date:2005-06-14
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (0.97 Å)
Cite:Saccharomyces cerevisiae SH3 domain structural genomics
To be Published
7TH6
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BU of 7th6 by Molmil
Structure of Cyclophilin D Peptidyl-Prolyl Isomerase Domain bound to Macrocyclic Inhibitor B21
Descriptor: 4'-{[(4S,7S,11R,13E,19S)-19-{[2-(2-aminoethoxy)ethyl]carbamoyl}-7-benzyl-3,6,12,15,21-pentaoxo-1,3,4,5,6,7,8,9,10,12,15,16,17,18,19,20,21,22-octadecahydro-2H-7,11-methano-2,5,11,16,20-benzopentaazacyclotetracosin-4-yl]methyl}-2-methyl[1,1'-biphenyl]-4-carboxylic acid, Peptidyl-prolyl cis-trans isomerase F, mitochondrial
Authors:Rangwala, A.M, Thakur, M.K, Seeliger, M.A, Peterson, A.A, Liu, D.R.
Deposit date:2022-01-10
Release date:2022-08-24
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (0.97 Å)
Cite:Discovery and molecular basis of subtype-selective cyclophilin inhibitors.
Nat.Chem.Biol., 18, 2022
4ACJ
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BU of 4acj by Molmil
Crystal structure of the TLDC domain of Oxidation resistance protein 2 from zebrafish
Descriptor: WU:FB25H12 PROTEIN,
Authors:Blaise, M, B Alsarraf, H.M.A, Wong, J.E.M.M, Midtgaard, S.R, Laroche, F, Schack, L, Spaink, H, Stougaard, J, Thirup, S.
Deposit date:2011-12-15
Release date:2012-02-08
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (0.97 Å)
Cite:Crystal Structure of the Tldc Domain of Oxidation Resistance Protein 2 from Zebrafish.
Proteins, 80, 2012
1C75
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BU of 1c75 by Molmil
0.97 A "AB INITIO" CRYSTAL STRUCTURE OF CYTOCHROME C-553 FROM BACILLUS PASTEURII
Descriptor: CYTOCHROME C-553, HEME C
Authors:Benini, S, Ciurli, S, Rypniewski, W.R, Wilson, K.S.
Deposit date:2000-02-09
Release date:2000-03-22
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (0.97 Å)
Cite:Crystal structure of oxidized Bacillus pasteurii cytochrome c553 at 0.97-A resolution.
Biochemistry, 39, 2000
7L71
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BU of 7l71 by Molmil
Crystal Structure of the PDZ Domain of the Serine Peptidase HtrA from Streptococcus agalactiae.
Descriptor: CHLORIDE ION, Serine protease
Authors:Minasov, G, Shuvalova, L, Kiryukhina, O, Satchell, K.J.F, Center for Structural Genomics of Infectious Diseases (CSGID)
Deposit date:2020-12-24
Release date:2021-12-01
Method:X-RAY DIFFRACTION (0.97 Å)
Cite:Crystal Structure of the PDZ Domain of the Serine Peptidase HtrA from Streptococcus agalactiae.
To Be Published
6SYE
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BU of 6sye by Molmil
Crystal structure of orthorhombic lysozyme in presence of the dye bromophenol blue at pH 7.0
Descriptor: CHLORIDE ION, Lysozyme C, bromophenol blue
Authors:Camara-Artigas, A, Plaza-Garrido, M, Salinas-Garcia, M.C.
Deposit date:2019-09-27
Release date:2020-09-09
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (0.97 Å)
Cite:Lysozyme crystals dyed with bromophenol blue: where has the dye gone?
Acta Crystallogr D Struct Biol, 76, 2020
5D99
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BU of 5d99 by Molmil
3DW4 redetermined by direct methods starting from random phase angles
Descriptor: GLYCEROL, RNA (27-MER) hairpin from sarcin-ricin domain of E. coli 23S rRNA
Authors:Mooers, B.H.M.
Deposit date:2015-08-18
Release date:2016-04-13
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (0.97 Å)
Cite:Direct-methods structure determination of a trypanosome RNA-editing substrate fragment with translational pseudosymmetry.
Acta Crystallogr D Struct Biol, 72, 2016
6FJN
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BU of 6fjn by Molmil
Adenovirus species 26 knob protein, 0.97A
Descriptor: 1,2-ETHANEDIOL, Fiber
Authors:Rizkallah, P.J, Parker, A.L, Baker, A.T.
Deposit date:2018-01-22
Release date:2019-02-06
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (0.97 Å)
Cite:Diversity within the adenovirus fiber knob hypervariable loops influences primary receptor interactions.
Nat Commun, 10, 2019
6XUM
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BU of 6xum by Molmil
Human Aldose Reductase Mutant L300/301A in Complex with a Ligand with an IDD Structure ({5-fluoro-2-[(3-nitrobenzyl)carbamoyl]phenoxy}acetic acid)
Descriptor: Aldo-keto reductase family 1 member B1, CITRIC ACID, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, ...
Authors:Hubert, L.-S, Ley, M, Heine, A, Klebe, G.
Deposit date:2020-01-20
Release date:2021-02-03
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (0.97 Å)
Cite:Human Aldose Reductase Mutant L300/301A in Complex with a Ligand with an IDD Structure ({5-fluoro-2-[(3-nitrobenzyl)carbamoyl]phenoxy}acetic acid)
To Be Published
4LFS
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BU of 4lfs by Molmil
High resolution x-ray structure of racemic ShK toxin
Descriptor: CHLORIDE ION, GLYCEROL, Potassium channel toxin ShK
Authors:Dang, B, Kubota, T, Mandal, K, Bezanilla, F, Kent, S.B.H.
Deposit date:2013-06-27
Release date:2013-08-14
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (0.97 Å)
Cite:Native Chemical Ligation at Asx-Cys, Glx-Cys: Chemical Synthesis and High-Resolution X-ray Structure of ShK Toxin by Racemic Protein Crystallography.
J.Am.Chem.Soc., 135, 2013
6T3P
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BU of 6t3p by Molmil
Human Aldose Reductase Mutant L300A in Complex with a Ligand with an IDD Structure ({5-fluoro-2-[(3-nitrobenzyl)carbamoyl]phenoxy}acetic acid)
Descriptor: Aldo-keto reductase family 1 member B1, CITRIC ACID, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, ...
Authors:Hubert, L.-S, Ley, M, Heine, A, Klebe, G.
Deposit date:2019-10-11
Release date:2020-11-18
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (0.97 Å)
Cite:Human Aldose Reductase Mutant L300A in Complex with a Ligand with an IDD Structure ({5-fluoro-2-[(3-nitrobenzyl)carbamoyl]phenoxy}acetic acid)
To Be Published
1YWB
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BU of 1ywb by Molmil
0.9 A Structure of NP4 from Rhodnius Prolixus complexed with NO at pH 5.6
Descriptor: NITRIC OXIDE, PHOSPHATE ION, PROTOPORPHYRIN IX CONTAINING FE, ...
Authors:Maes, E.M, Weichsel, A, Roberts, S.A, Montfort, W.R.
Deposit date:2005-02-17
Release date:2005-10-04
Last modified:2023-08-23
Method:X-RAY DIFFRACTION (0.97 Å)
Cite:Ultrahigh Resolution Structures of Nitrophorin 4: Heme Distortion in Ferrous CO and NO Complexes
Biochemistry, 44, 2005
2AYW
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BU of 2ayw by Molmil
Crystal Structure of the complex formed between trypsin and a designed synthetic highly potent inhibitor in the presence of benzamidine at 0.97 A resolution
Descriptor: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 2-[2-({[4-(DIAMINOMETHYL)PHENYL]AMINO}CARBONYL)-6-METHOXYPYRIDIN-3-YL]-5-{[(1-FORMYL-2,2-DIMETHYLPROPYL)AMINO]CARBONYL}BENZOIC ACID, BENZAMIDINE, ...
Authors:Sherawat, M, Kaur, P, Perbandt, M, Betzel, C, Slusarchyk, W.A, Bisacchi, G.S, Chang, C, Jacobson, B.L, Einspahr, H.M, Singh, T.P.
Deposit date:2005-09-09
Release date:2006-01-17
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (0.97 Å)
Cite:Structure of the complex of trypsin with a highly potent synthetic inhibitor at 0.97 A resolution.
Acta Crystallogr.,Sect.D, 63, 2007
6RGP
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BU of 6rgp by Molmil
Single crystal serial study of the X-ray induced enzymatic reduction of molecular oxygen to water for laccase from Steccherinum murashkinskyi at sub-atomic resolution. Second structure of the series with 165 KGy dose.
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, COPPER (II) ION, Laccase 2, ...
Authors:Polyakov, K.M, Gavryushov, S, Fedorova, T.V, Glazunova, O.A, Popov, A.N.
Deposit date:2019-04-17
Release date:2019-05-01
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (0.97 Å)
Cite:The subatomic resolution study of laccase inhibition by chloride and fluoride anions using single-crystal serial crystallography: insights into the enzymatic reaction mechanism.
Acta Crystallogr D Struct Biol, 75, 2019
1M1Q
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BU of 1m1q by Molmil
P222 oxidized structure of the tetraheme cytochrome c from Shewanella oneidensis MR1
Descriptor: HEME C, SULFATE ION, small tetraheme cytochrome c
Authors:Leys, D, Meyer, T.E, Tsapin, A.I, Nealson, K.H, Cusanovich, M.A, Van Beeumen, J.J.
Deposit date:2002-06-20
Release date:2002-08-14
Last modified:2021-03-03
Method:X-RAY DIFFRACTION (0.97 Å)
Cite:Crystal structures at atomic resolution reveal the novel concept of 'electron-harvesting' as a role for the small tetraheme cytochrome c
J.Biol.Chem., 277, 2002
2VK5
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BU of 2vk5 by Molmil
THE STRUCTURE OF CLOSTRIDIUM PERFRINGENS NANI SIALIDASE AND ITS CATALYTIC INTERMEDIATES
Descriptor: CALCIUM ION, EXO-ALPHA-SIALIDASE, GLYCEROL
Authors:Newstead, S.L, Potter, J.A, Wilson, J.C, Xu, G, Chien, C.H, Watts, A.G, Withers, S.G, Taylor, G.L.
Deposit date:2007-12-17
Release date:2008-01-22
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (0.97 Å)
Cite:The Structure of Clostridium Perfringens Nani Sialidase and its Catalytic Intermediates.
J.Biol.Chem., 283, 2008
2GEW
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BU of 2gew by Molmil
Atomic resolution structure of cholesterol oxidase @ pH 9.0 (Streptomyces sp. SA-COO)
Descriptor: Cholesterol oxidase, FLAVIN-ADENINE DINUCLEOTIDE, OXYGEN MOLECULE, ...
Authors:Lyubimov, A.Y, Vrielink, A.
Deposit date:2006-03-20
Release date:2006-05-02
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (0.97 Å)
Cite:Atomic resolution crystallography reveals how changes in pH shape the protein microenvironment.
Nat.Chem.Biol., 2, 2006

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