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1XMK
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BU of 1xmk by Molmil
The Crystal structure of the Zb domain from the RNA editing enzyme ADAR1
Descriptor: CADMIUM ION, CHLORIDE ION, Double-stranded RNA-specific adenosine deaminase, ...
Authors:Athanasiadis, A, Placido, D, Maas, S, Brown II, B.A, Lowenhaupt, K, Rich, A.
Deposit date:2004-10-03
Release date:2005-08-02
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (0.97 Å)
Cite:The Crystal Structure of the Z[beta] Domain of the RNA-editing Enzyme ADAR1 Reveals Distinct Conserved Surfaces Among Z-domains.
J.Mol.Biol., 351, 2005
5RE1
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BU of 5re1 by Molmil
PanDDA analysis group deposition -- Endothiapepsin ground state model 58
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
4PNO
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BU of 4pno by Molmil
Escherichia coli Hfq-RNA complex at 0.97 A Resolution
Descriptor: RNA-binding protein Hfq, URIDINE-5'-MONOPHOSPHATE
Authors:Schulz, E.C, Barabas, O.
Deposit date:2014-05-24
Release date:2014-11-19
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (0.97 Å)
Cite:Structure of an Escherichia coli Hfq:RNA complex at 0.97 angstrom resolution.
Acta Crystallogr.,Sect.F, 70, 2014
5SP2
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BU of 5sp2 by Molmil
PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with ZINC000579359572 - (R) and (S) isomers
Descriptor: Non-structural protein 3, [(2R)-4-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)morpholin-2-yl]acetic acid, [(2S)-4-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)morpholin-2-yl]acetic acid
Authors:Correy, G.J, Fraser, J.S.
Deposit date:2022-06-09
Release date:2022-07-13
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (0.97 Å)
Cite:Iterative computational design and crystallographic screening identifies potent inhibitors targeting the Nsp3 macrodomain of SARS-CoV-2.
Proc.Natl.Acad.Sci.USA, 120, 2023
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
3AKQ
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BU of 3akq by Molmil
Crystal structure of xylanase from Trichoderma longibrachiatum
Descriptor: CHLORIDE ION, ZINC ION, xylanase
Authors:Sugahara, M, Kunishima, N.
Deposit date:2010-07-15
Release date:2011-06-01
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (0.97 Å)
Cite:Packing Space Expansion of Protein Crystallization Screening with Synthetic Zeolite as a Heteroepitaxic Nucleant
Cryst.Growth Des., 11, 2011
3VII
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BU of 3vii by Molmil
Crystal structure of beta-glucosidase from termite Neotermes koshunensis in complex with Bis-Tris
Descriptor: 2-[BIS-(2-HYDROXY-ETHYL)-AMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Beta-glucosidase, GLYCEROL, ...
Authors:Jeng, W.Y, Liu, C.I, Wang, A.H.J.
Deposit date:2011-10-03
Release date:2012-07-04
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (0.97 Å)
Cite:High-resolution structures of Neotermes koshunensis beta-glucosidase mutants provide insights into the catalytic mechanism and the synthesis of glucoconjugates
Acta Crystallogr.,Sect.D, 68, 2012
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
3WCQ
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BU of 3wcq by Molmil
Crystal structure analysis of Cyanidioschyzon melorae ferredoxin D58N mutant
Descriptor: FE2/S2 (INORGANIC) CLUSTER, Ferredoxin
Authors:Ueno, Y, Matsumoto, T, Yamano, A, Imai, T, Morimoto, Y.
Deposit date:2013-05-31
Release date:2013-08-07
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (0.97 Å)
Cite:Increasing the electron-transfer ability of Cyanidioschyzon merolae ferredoxin by a one-point mutation - A high resolution and Fe-SAD phasing crystal structure analysis of the Asp58Asn mutant
Biochem.Biophys.Res.Commun., 436, 2013
3X0K
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BU of 3x0k by Molmil
ADP ribose pyrophosphatase from Thermus thermophilus HB8 in ES-state at 0.97 angstrom resolution
Descriptor: ADP-ribose pyrophosphatase, GLYCEROL, [(2R,3S,4R,5R)-5-(6-AMINOPURIN-9-YL)-3,4-DIHYDROXY-OXOLAN-2-YL]METHYL [HYDROXY-[[(2R,3S,4R,5S)-3,4,5-TRIHYDROXYOXOLAN-2-YL]METHOXY]PHOSPHORYL] HYDROGEN PHOSPHATE
Authors:Furuike, Y, Akita, Y, Miyahara, I, Kamiya, N.
Deposit date:2014-10-16
Release date:2016-04-27
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (0.97 Å)
Cite:ADP-Ribose Pyrophosphatase Reaction in Crystalline State Conducted by Consecutive Binding of Two Manganese(II) Ions as Cofactors
Biochemistry, 55, 2016
5XS6
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BU of 5xs6 by Molmil
Crystal Structure of Transketolase in complex with TPP Pichia Stipitis
Descriptor: CALCIUM ION, DI(HYDROXYETHYL)ETHER, THIAMINE DIPHOSPHATE, ...
Authors:Li, T.L, Hsu, N.S, Wang, Y.L.
Deposit date:2017-06-12
Release date:2018-04-25
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (0.972 Å)
Cite:The Mesomeric Effect of Thiazolium on non-Kekule Diradicals in Pichia stipitis Transketolase.
Angew. Chem. Int. Ed. Engl., 57, 2018
3R1E
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BU of 3r1e by Molmil
Crystal structure of GC(8BrG)GCGGC duplex
Descriptor: BROMIDE ION, CALCIUM ION, GLYCEROL, ...
Authors:Kiliszek, A, Kierzek, R, Krzyzosiak, W.J, Rypniewski, W.
Deposit date:2011-03-10
Release date:2011-06-01
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (0.972 Å)
Cite:Crystal structures of CGG RNA repeats with implications for fragile X-associated tremor ataxia syndrome.
Nucleic Acids Res., 39, 2011
6RYG
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BU of 6ryg by Molmil
native structure of conglutinin carbohydrate recognition domain
Descriptor: CALCIUM ION, Conglutinin
Authors:Shrive, A.K, Greenhough, T.J.
Deposit date:2019-06-10
Release date:2019-10-09
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (0.974 Å)
Cite:Atomic-resolution crystal structures of the immune protein conglutinin from cow reveal specific interactions of its binding site withN-acetylglucosamine.
J.Biol.Chem., 294, 2019
5XSA
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BU of 5xsa by Molmil
Crystal Structure of Transketolase in complex with TPP intermediate III from Pichia Stipitis
Descriptor: 2-[3-[(4-azanyl-2-methyl-pyrimidin-5-yl)methyl]-4-methyl-2H-1,3-thiazol-5-yl]ethyl phosphono hydrogen phosphate, CALCIUM ION, Transketolase
Authors:Li, T.L, Hsu, N.S, Wang, Y.L.
Deposit date:2017-06-13
Release date:2018-04-25
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (0.975 Å)
Cite:The Mesomeric Effect of Thiazolium on non-Kekule Diradicals in Pichia stipitis Transketolase.
Angew. Chem. Int. Ed. Engl., 57, 2018
3QPC
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BU of 3qpc by Molmil
Structure of Fusarium Solani Cutinase expressed in Pichia pastoris, crystallized in the presence of Paraoxon
Descriptor: Cutinase
Authors:Lu, A, Gosser, Y, Montclare, J.K, Liu, Z, Kong, X.
Deposit date:2011-02-11
Release date:2012-02-29
Method:X-RAY DIFFRACTION (0.978 Å)
Cite:Structure of Fusarium Solani Cutinase expressed in Pichia pastoris
To be Published
6Q7D
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BU of 6q7d by Molmil
Crystal Structure of Ephrin A2 (EphA2) Receptor Protein Kinase with the NVP-BHG712 derivative ATDL13
Descriptor: 3-[[4-imidazol-1-yl-6-(4-oxidanylpiperidin-1-yl)-1,3,5-triazin-2-yl]amino]-4-methyl-~{N}-[3-(trifluoromethyl)phenyl]benzamide, Ephrin type-A receptor 2
Authors:Kudlinzki, D, Troester, A, Witt, K, Linhard, V.L, Gande, S.L, Saxena, K, Schwalbe, H.
Deposit date:2018-12-13
Release date:2020-01-15
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (0.978 Å)
Cite:Effects of NVP-BHG712 chemical modifications on EPHA2 binding and affinity
To Be Published
4RTZ
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BU of 4rtz by Molmil
Crystal structure of the c-Src-SH3 domain in complex with the high affinity peptide VSL12
Descriptor: GLYCEROL, NICKEL (II) ION, Proto-oncogene tyrosine-protein kinase Src, ...
Authors:Camara-Artigas, A, Bacarizo, J.
Deposit date:2014-11-16
Release date:2015-10-28
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (0.979 Å)
Cite:Crystal structure of the c-Src-SH3 domain in complex with the high affinity peptide VSL12
To be Published
7PH0
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BU of 7ph0 by Molmil
Structure of light-adapted AsLOV2 Q513L
Descriptor: 1,2-ETHANEDIOL, ACETATE ION, CHLORIDE ION, ...
Authors:Gelfert, R, Weyand, M, Moeglich, A.
Deposit date:2021-08-16
Release date:2022-05-11
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (0.979 Å)
Cite:Signal transduction in light-oxygen-voltage receptors lacking the active-site glutamine.
Nat Commun, 13, 2022
5R3R
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BU of 5r3r by Molmil
PanDDA analysis group deposition -- Auto-refined data of Endothiapepsin for ground state model 51, DMSO-Free
Descriptor: Endothiapepsin
Authors:Wollenhaupt, J, Metz, A, Barthel, T, Lima, G.M.A, Heine, A, Mueller, U, Klebe, G, Weiss, M.S.
Deposit date:2020-02-13
Release date:2020-06-03
Last modified:2020-07-08
Method:X-RAY DIFFRACTION (0.979 Å)
Cite:F2X-Universal and F2X-Entry: Structurally Diverse Compound Libraries for Crystallographic Fragment Screening.
Structure, 28, 2020
5R3D
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BU of 5r3d by Molmil
PanDDA analysis group deposition -- Auto-refined data of Endothiapepsin for ground state model 37, DMSO-Free
Descriptor: Endothiapepsin
Authors:Wollenhaupt, J, Metz, A, Barthel, T, Lima, G.M.A, Heine, A, Mueller, U, Klebe, G, Weiss, M.S.
Deposit date:2020-02-13
Release date:2020-06-03
Last modified:2020-07-08
Method:X-RAY DIFFRACTION (0.979 Å)
Cite:F2X-Universal and F2X-Entry: Structurally Diverse Compound Libraries for Crystallographic Fragment Screening.
Structure, 28, 2020
6SG6
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BU of 6sg6 by Molmil
Human Carbonic Anhydrase II in complex with furan-containing benzenesulfonamide
Descriptor: (4-CARBOXYPHENYL)(CHLORO)MERCURY, 4-(furan-2-ylmethylamino)-3-nitro-benzenesulfonamide, Carbonic anhydrase 2, ...
Authors:Gloeckner, S, Heine, A, Klebe, G.
Deposit date:2019-08-02
Release date:2020-08-26
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (0.98 Å)
Cite:Human Carbonic Anhydrase II in complex with furan-containing benzenesulfonamide
To Be Published
6T81
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BU of 6t81 by Molmil
Human Carbonic anhydrase II bound by 2-Naphthalenesulfonamide.
Descriptor: AZIDE ION, BICINE, SODIUM ION, ...
Authors:Smirnov, A, Manakova, E, Grazulis, S.
Deposit date:2019-10-23
Release date:2020-10-14
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (0.98 Å)
Cite:Isoform-Selective Enzyme Inhibitors by Exploring Pocket Size According to the Lock-and-Key Principle.
Biophys.J., 119, 2020
7XFA
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BU of 7xfa by Molmil
Structure of human Galectin-3 CRD in complex with monosaccharide inhibitor
Descriptor: (2~{S},3~{R},4~{R},5~{R},6~{R})-4-[4-[4-chloranyl-3,5-bis(fluoranyl)phenyl]-1,2,3-triazol-1-yl]-2-[2-[5-chloranyl-2-(trifluoromethyl)phenyl]-5-methyl-1,2,4-triazol-3-yl]-6-(hydroxymethyl)oxane-3,5-diol, Galectin-3
Authors:Shukla, J, Raman, S, Ghosh, K.
Deposit date:2022-04-01
Release date:2022-10-12
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (0.98 Å)
Cite:Identification of Monosaccharide Derivatives as Potent, Selective, and Orally Bioavailable Inhibitors of Human and Mouse Galectin-3.
J.Med.Chem., 65, 2022
5MNM
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BU of 5mnm by Molmil
Cationic trypsin in complex with benzylamine (at 295 K)
Descriptor: BENZYLAMINE, CALCIUM ION, Cationic trypsin, ...
Authors:Schiebel, J, Heine, A, Klebe, G.
Deposit date:2016-12-13
Release date:2018-01-17
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (0.98 Å)
Cite:Cationic trypsin in complex with benzylamine (at 295 K)
to be published
5MB5
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BU of 5mb5 by Molmil
Cocktail experiment C: fragments 103 and 171 in complex with Endothiapepsin
Descriptor: 4-methyl-5-(1-methyl-1H-imidazol-2-yl)-1,3-thiazol-2-amine, ACETATE ION, DIMETHYL SULFOXIDE, ...
Authors:Radeva, N, Heine, A, Klebe, G.
Deposit date:2016-11-07
Release date:2018-01-17
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (0.98 Å)
Cite:Comparison of cocktails versus single soaking experiments
To Be Published

221716

数据于2024-06-26公开中

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