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4QBX
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BU of 4qbx by Molmil
Human Aldose Reductase complexed with a ligand with an IDD structure ({5-fluoro-2-[(3-nitrobenzyl)carbamoyl]phenoxy}acetic acid) at 0.98 A
Descriptor: Aldose reductase, CITRIC ACID, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, ...
Authors:Rechlin, C, Heine, A, Klebe, G.
Deposit date:2014-05-09
Release date:2015-07-22
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (0.98 Å)
Cite:Aldose Reductase: How expensive is the opening of the specificity pocket? IDD ligands under investigation
To be Published
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
5MOR
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BU of 5mor by Molmil
Joint X-ray/neutron structure of cationic trypsin in complex with benzylamine
Descriptor: (phenylmethyl)azanium, CALCIUM ION, Cationic trypsin, ...
Authors:Schiebel, J, Schrader, T.E, Ostermann, A, Heine, A, Klebe, G.
Deposit date:2016-12-14
Release date:2018-02-28
Last modified:2024-05-01
Method:NEUTRON DIFFRACTION (0.98 Å), X-RAY DIFFRACTION
Cite:Joint X-ray/neutron structure of cationic trypsin in complex with benzylamine
to be published
3JU4
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BU of 3ju4 by Molmil
Crystal Structure Analysis of EndosialidaseNF at 0.98 A Resolution
Descriptor: CHLORIDE ION, Endo-N-acetylneuraminidase, N-acetyl-beta-neuraminic acid, ...
Authors:Schulz, E.C, Neuman, P, Gerardy-Schahn, R, Sheldrick, G.M, Ficner, R.
Deposit date:2009-09-14
Release date:2010-02-02
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (0.98 Å)
Cite:Structure analysis of endosialidase NF at 0.98 A resolution.
Acta Crystallogr.,Sect.D, 66, 2010
4FRC
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BU of 4frc by Molmil
Carbonic Anhydrase II in complex with N'-sulfamoylpyrrolidine-1-carboximidamide
Descriptor: Carbonic anhydrase 2, DIMETHYL SULFOXIDE, MERCURIBENZOIC ACID, ...
Authors:Di Pizio, A, Heine, A, Klebe, G.
Deposit date:2012-06-26
Release date:2013-07-17
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (0.98 Å)
Cite:High resolution crystal structures of Carbonic Anhydrase II in complex with novel sulfamide binders
To be Published
1GVT
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BU of 1gvt by Molmil
Endothiapepsin complex with CP-80,794
Descriptor: ENDOTHIAPEPSIN, N-(morpholin-4-ylcarbonyl)-L-phenylalanyl-N-[(1R,2S)-1-(cyclohexylmethyl)-2-hydroxy-3-(1-methylethoxy)-3-oxopropyl]-S-methyl-L-cysteinamide, SULFATE ION
Authors:Coates, L, Erskine, P.T, Crump, M.P, Wood, S.P, Cooper, J.B.
Deposit date:2002-02-27
Release date:2002-07-04
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (0.98 Å)
Cite:Five Atomic Resolution Structures of Endothiapepsin Inhibitor Complexes: Implications for the Aspartic Proteinase Mechanism
J.Mol.Biol., 318, 2002
5CE4
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BU of 5ce4 by Molmil
High Resolution X-Ray and Neutron diffraction structure of H-FABP
Descriptor: Fatty acid-binding protein, heart, OLEIC ACID
Authors:Podjarny, A.D, Howard, E.I, Blakeley, M.P, Guillot, B.
Deposit date:2015-07-06
Release date:2016-03-09
Last modified:2024-05-08
Method:NEUTRON DIFFRACTION (0.98 Å), X-RAY DIFFRACTION
Cite:High-resolution neutron and X-ray diffraction room-temperature studies of an H-FABP-oleic acid complex: study of the internal water cluster and ligand binding by a transferred multipolar electron-density distribution.
Iucrj, 3, 2016
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
1GQV
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BU of 1gqv by Molmil
Atomic Resolution (0.98A) Structure of Eosinophil-Derived Neurotoxin
Descriptor: ACETATE ION, EOSINOPHIL-DERIVED NEUROTOXIN
Authors:Swaminathan, G.J, Holloway, D.E, Veluraja, K, Acharya, K.R.
Deposit date:2001-12-05
Release date:2002-03-08
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (0.98 Å)
Cite:Atomic Resolution (0.98 A) Structure of Eosinophil-Derived Neurotoxin
Biochemistry, 41, 2002
4YEO
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BU of 4yeo by Molmil
Triclinic HEWL co-crystallised with cisplatin, studied at a data collection temperature of 150K - new refinement
Descriptor: 1,2-ETHANEDIOL, ACETATE ION, Cisplatin, ...
Authors:Shabalin, I.G, Dauter, Z, Jaskolski, M, Minor, W, Wlodawer, A.
Deposit date:2015-02-24
Release date:2015-03-04
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (0.98 Å)
Cite:Crystallography and chemistry should always go together: a cautionary tale of protein complexes with cisplatin and carboplatin.
Acta Crystallogr.,Sect.D, 71, 2015
2V8T
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BU of 2v8t by Molmil
Crystal structure of Mn catalase from Thermus Thermophilus complexed with chloride
Descriptor: CHLORIDE ION, LITHIUM ION, MANGANESE (II) ION, ...
Authors:Antonyuk, S.V, Barynin, V.V, Vaguine, A.A, Melik-Adamyan, W.R, Popov, A.N, Lamsin, V.S, Harrison, P.M, Artymiuk, P.J.
Deposit date:2007-08-14
Release date:2007-09-11
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (0.98 Å)
Cite:Three-Dimentional Structure of the Enzyme Dimanganese Catalase from Thermus Thermophilus at 1 Angstrom Resolution
Crystallogr.Rep.(Transl. Kristallografiya), 45, 2000
4FPT
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BU of 4fpt by Molmil
Carbonic Anhydrase II in complex with ethyl (2Z,4R)-2-(sulfamoylimino)-1,3-thiazolidine-4-carboxylate
Descriptor: Carbonic anhydrase 2, DIMETHYL SULFOXIDE, GLYCEROL, ...
Authors:Di Pizio, A, Heine, A, Klebe, G.
Deposit date:2012-06-22
Release date:2013-07-03
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (0.98 Å)
Cite:High resolution crystal structures of Carbonic Anhydrase II in complex with novel sulfamide binders
To be Published
3WBO
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BU of 3wbo by Molmil
Crystal Structure Analysis of the Z-DNA hexamer CGCGCG with 40 mM NaCl
Descriptor: DNA (5'-D(*CP*GP*CP*GP*CP*G)-3')
Authors:Chatake, T.
Deposit date:2013-05-20
Release date:2014-05-14
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (0.98 Å)
Cite:Structural fluctuation observed in Z-DNA d(CGCGCG)2 in the absence of divalent metal cations and polyamines
J.SYNCHROTRON RADIAT., 20, 2013
2NLS
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BU of 2nls by Molmil
Human beta-defensin-1 (Mutant Gln24Ala)
Descriptor: Beta-defensin 1
Authors:Lubkowski, J, Pazgier, M.
Deposit date:2006-10-20
Release date:2006-10-31
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (0.98 Å)
Cite:Studies of the Biological Properties of Human beta-Defensin 1.
J.Biol.Chem., 282, 2007
3B3R
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BU of 3b3r by Molmil
Crystal structure of Streptomyces cholesterol oxidase H447Q/E361Q mutant bound to glycerol (0.98A)
Descriptor: Cholesterol oxidase, FLAVIN-N7 PROTONATED-ADENINE DINUCLEOTIDE, GLYCEROL, ...
Authors:Lyubimov, A.Y, Heard, K, Tang, H, Sampson, N.S, Vrielink, A.
Deposit date:2007-10-22
Release date:2007-12-18
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (0.98 Å)
Cite:Distortion of flavin geometry is linked to ligand binding in cholesterol oxidase
Protein Sci., 16, 2007
4BCT
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BU of 4bct by Molmil
Crystal structure of kiwi-fruit allergen Act d 2
Descriptor: 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, THAUMATIN-LIKE PROTEIN
Authors:Pavkov-Keller, T, Bublin, M, Jankovic, M, Breiteneder, H, Keller, W.
Deposit date:2012-10-03
Release date:2013-10-16
Method:X-RAY DIFFRACTION (0.98 Å)
Cite:Crystal Structure of Kiwi-Fruit Allergen Act D 2
To be Published
3I5E
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BU of 3i5e by Molmil
Allosteric Modulation of DNA by Small Molecules
Descriptor: 5'-D(*CP*CP*AP*GP*GP*CP*CP*TP*GP*G)-3', CALCIUM ION
Authors:Chenoweth, D.M, Dervan, P.B.
Deposit date:2009-07-05
Release date:2009-07-28
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (0.98 Å)
Cite:Allosteric modulation of DNA by small molecules
Proc.Natl.Acad.Sci.USA, 106, 2009
5SY4
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BU of 5sy4 by Molmil
Atomic resolution structure of reduced E. coli YajL
Descriptor: Chaperone YajL, MAGNESIUM ION
Authors:Wilson, M.A, Lin, J.
Deposit date:2016-08-10
Release date:2016-12-28
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (0.98 Å)
Cite:Short Carboxylic Acid-Carboxylate Hydrogen Bonds Can Have Fully Localized Protons.
Biochemistry, 56, 2017
2VI3
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BU of 2vi3 by Molmil
Atomic resolution (0.98 A) structure of purified thaumatin I grown in sodium DL-tartrate at 20 C
Descriptor: GLYCEROL, L(+)-TARTARIC ACID, THAUMATIN-1
Authors:Jakoncic, J, Asherie, N, Ginsberg, C.
Deposit date:2007-11-26
Release date:2009-02-10
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (0.98 Å)
Cite:Tartrate Chirality Determines Thaumatin Crystal Habit
Cryst.Growth Des., 9, 2009
2G58
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BU of 2g58 by Molmil
Crystal structure of a complex of phospholipase A2 with a designed peptide inhibitor Dehydro-Ile-Ala-Arg-Ser at 0.98 A resolution
Descriptor: (PHQ)IARS, Phospholipase A2 VRV-PL-VIIIa, SULFATE ION
Authors:Prem Kumar, R, Singh, N, Somvanshi, R.K, Ethayathulla, A.S, Dey, S, Sharma, S, Kaur, P, Perbandt, M, Betzel, C, Singh, T.P.
Deposit date:2006-02-22
Release date:2006-03-28
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (0.98 Å)
Cite:Crystal structure of a complex of phospholipase A2 with a designed peptide inhibitor Dehydro-Ile-Ala-Arg-Ser at 0.98 A resolution
To be Published
1IC6
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BU of 1ic6 by Molmil
STRUCTURE OF A SERINE PROTEASE PROTEINASE K FROM TRITIRACHIUM ALBUM LIMBER AT 0.98 A RESOLUTION
Descriptor: CALCIUM ION, NITRATE ION, PROTEINASE K
Authors:Betzel, C, Gourinath, S, Kumar, P, Kaur, P, Perbandt, M, Eschenburg, S, Singh, T.P.
Deposit date:2001-03-30
Release date:2001-04-11
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (0.98 Å)
Cite:Structure of a serine protease proteinase K from Tritirachium album limber at 0.98 A resolution.
Biochemistry, 40, 2001
6Q4G
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BU of 6q4g by Molmil
CDK2 in complex with FragLite37
Descriptor: 2-[3-(2-azanyl-9~{H}-purin-6-yl)phenyl]ethanoic acid, Cyclin-dependent kinase 2
Authors:Wood, D.J, Martin, M.P, Noble, M.E.M.
Deposit date:2018-12-05
Release date:2019-03-20
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (0.98 Å)
Cite:FragLites-Minimal, Halogenated Fragments Displaying Pharmacophore Doublets. An Efficient Approach to Druggability Assessment and Hit Generation.
J.Med.Chem., 62, 2019
8V56
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BU of 8v56 by Molmil
UIC-1 mutant - UIC-1-B5W
Descriptor: UIC-1-B5W
Authors:Heinz-Kunert, S.L.
Deposit date:2023-11-30
Release date:2024-03-06
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (0.98 Å)
Cite:Pore Restructuring of Peptide Frameworks by Mutations at Distal Packing Residues.
Biomacromolecules, 25, 2024
4AWT
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BU of 4awt by Molmil
Crystal structure of the reduced Shewanella Yellow Enzyme 1 (SYE1) M25L mutant
Descriptor: 2-{2-[2-(2-{2-[2-(2-ETHOXY-ETHOXY)-ETHOXY]-ETHOXY}-ETHOXY)-ETHOXY]-ETHOXY}-ETHANOL, FLAVIN MONONUCLEOTIDE, SULFATE ION, ...
Authors:Elegheert, J, Brige, A, Savvides, S.N.
Deposit date:2012-06-05
Release date:2013-06-26
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (0.98 Å)
Cite:Modulation of Isoalloxazine Ring Planarity Influences Fmn Electronic Properties in Old Yellow Enzymes
To be Published
3GGI
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BU of 3ggi by Molmil
Locating monovalent cations in one turn of G/C rich B-DNA
Descriptor: 5'-D(*CP*CP*AP*GP*GP*CP*CP*TP*GP*G) -3', MAGNESIUM ION, THALLIUM (I) ION
Authors:Maehigashi, T, Moulaei, T, Watkins, D, Komeda, S, Williams, L.D.
Deposit date:2009-02-28
Release date:2010-03-09
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (0.98 Å)
Cite:Locating monovalent cations in one turn of G/C rich B-DNA
To be Published

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数据于2024-07-31公开中

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