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1K5C
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BU of 1k5c by Molmil
Endopolygalacturonase I from Stereum purpureum at 0.96 A resolution
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, CHLORIDE ION, ENDOPOLYGALACTURONASE, ...
Authors:Shimizu, T, Nakatsu, T, Miyairi, K, Okuno, T, Kato, H.
Deposit date:2001-10-10
Release date:2002-06-05
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (0.96 Å)
Cite:Active-site architecture of endopolygalacturonase I from Stereum purpureum revealed by crystal structures in native and ligand-bound forms at atomic resolution.
Biochemistry, 41, 2002
4BM8
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BU of 4bm8 by Molmil
Galectin-3c in complex with Bisamido-thiogalactoside derivate 3
Descriptor: (3-Deoxy-3-(2,3,5,6-tetra-fluoro-4-methoxy-benzamido)-b-D-galactopyranosyl)-(3-deoxy-3-(2,3,5,6-tetra-fluoro-4-methoxy-benzamido)-2-O-sulfo-b-D-galactopyranosyl)-sulfide, GALECTIN-3
Authors:Noresson, A.L, Oberg, C.T, Engstrom, O, Hakansson, M, Logan, D.T, Leffler, H, Nilsson, U.J.
Deposit date:2013-05-07
Release date:2014-05-21
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (0.96 Å)
Cite:Controlling Protein Conformation Through Electronic Fine-Tuning of Arginine-Arene Interactions: Synthetic, Structural, and Biological Studies
To be Published
7P5R
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BU of 7p5r by Molmil
Racemic protein crystal structure of lacticin Q from Lactococcus lactis
Descriptor: D-Lacticin Q, FORMIC ACID, Lacticin Q
Authors:Lander, A.J, Li, X, Baumann, P, Rizkallah, P, Luk, L.Y.P, Jin, Y.
Deposit date:2021-07-14
Release date:2022-07-27
Last modified:2024-05-01
Method:X-RAY DIFFRACTION (0.96 Å)
Cite:Roles of inter- and intramolecular tryptophan interactions in membrane-active proteins revealed by racemic protein crystallography.
Commun Chem, 6, 2023
6ZX4
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BU of 6zx4 by Molmil
Neisseria gonorrhoeae transaldolase
Descriptor: CITRIC ACID, GLYCEROL, Transaldolase
Authors:Sautner, V, Rabe von Pappenheim, F, Wensien, M, Tittmann, K.
Deposit date:2020-07-29
Release date:2021-03-24
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (0.96 Å)
Cite:A lysine-cysteine redox switch with an NOS bridge regulates enzyme function.
Nature, 593, 2021
5ZJC
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BU of 5zjc by Molmil
Crystal structure of NDM-1 in complex with D-captopril derivative CY41
Descriptor: (2S)-2-methyl-3-sulfanyl-propan-1-ol, 1,2-ETHANEDIOL, Metallo-beta-lactamase type 2, ...
Authors:Zhang, H, Hao, Q.
Deposit date:2018-03-20
Release date:2019-03-20
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (0.96 Å)
Cite:Crystal structure of NDM-1
to be published
7Z8O
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BU of 7z8o by Molmil
Crystal structure of SARS-CoV-2 S RBD in complex with a stapled peptide
Descriptor: 2,4,6-tris(chloromethyl)-1,3,5-triazine, GLYCEROL, Spike protein S1, ...
Authors:Brear, P, Chen, L, Gaynor, K, Harman, M, Dods, R, Hyvonen, M.
Deposit date:2022-03-18
Release date:2023-06-28
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (0.96 Å)
Cite:Multivalent bicyclic peptides are an effective antiviral modality that can potently inhibit SARS-CoV-2.
Nat Commun, 14, 2023
7FZ9
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BU of 7fz9 by Molmil
Crystal Structure of human FABP4 in complex with N-methyl-6-(3-methylthiophen-2-yl)-4-phenyl-N-propan-2-yl-3-(1H-tetrazol-5-yl)pyridin-2-amine
Descriptor: (3M,6P)-N-methyl-6-(3-methylthiophen-2-yl)-4-phenyl-N-(propan-2-yl)-3-(1H-tetrazol-5-yl)pyridin-2-amine, DIMETHYL SULFOXIDE, Fatty acid-binding protein, ...
Authors:Ehler, A, Benz, J, Obst, U, Kuhne, H, Rudolph, M.G.
Deposit date:2023-04-27
Release date:2023-06-14
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (0.96 Å)
Cite:Crystal Structure of a human FABP4 complex
To be published
1AHO
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BU of 1aho by Molmil
THE AB INITIO STRUCTURE DETERMINATION AND REFINEMENT OF A SCORPION PROTEIN TOXIN
Descriptor: TOXIN II
Authors:Smith, G.D, Blessing, R.H, Ealick, S.E, Fontecilla-Camps, J.C, Hauptman, H.A, Housset, D, Langs, D.A, Miller, R.
Deposit date:1997-04-08
Release date:1997-10-15
Last modified:2024-06-05
Method:X-RAY DIFFRACTION (0.96 Å)
Cite:Ab initio structure determination and refinement of a scorpion protein toxin.
Acta Crystallogr.,Sect.D, 53, 1997
5ZJ1
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BU of 5zj1 by Molmil
Crystal structure of NDM-1 in complex with D-captopril derivative CYT-14
Descriptor: 1,2-ETHANEDIOL, Metallo-beta-lactamase type 2, ZINC ION, ...
Authors:Zhang, H, Hao, Q.
Deposit date:2018-03-18
Release date:2019-03-20
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (0.96 Å)
Cite:Crystal structure of NDM-1
to be published
3PUC
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BU of 3puc by Molmil
Atomic resolution structure of titin domain M7
Descriptor: SULFATE ION, Titin
Authors:Sauer, F, Wilmanns, M.
Deposit date:2010-12-04
Release date:2011-12-21
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (0.96 Å)
Cite:structure of titin M7
To be Published
7A33
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BU of 7a33 by Molmil
Crystal structure of the c-Src SH3 domain mutant S94A-T98D-V111L-N113S-T114S at pH 3.0
Descriptor: FORMIC ACID, Proto-oncogene tyrosine-protein kinase Src, SODIUM ION
Authors:Camara-Artigas, A, Plaza-Garrido, M, Salinas-Garcia, M.C.
Deposit date:2020-08-18
Release date:2021-08-25
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (0.96 Å)
Cite:Crystal structure of the c-Src SH3 domain mutant S94A-T98D-V111L-N113S-T114S at pH 3.0
To be published
5OUJ
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BU of 5ouj by Molmil
Crystal structure of human AKR1B1 complexed with NADP+ and compound 39
Descriptor: 2-[(1~{R})-5-(4-chlorophenyl)-9-fluoranyl-3-methyl-1-oxidanyl-1~{H}-pyrimido[4,5-c]quinolin-2-yl]ethanoic acid, Aldose reductase, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE
Authors:Cousido-Siah, A, Ruiz, F.X, Mitschler, A, Metwally, K, Podjarny, A.
Deposit date:2017-08-24
Release date:2018-05-09
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (0.96 Å)
Cite:Design, synthesis, structure-activity relationships and X-ray structural studies of novel 1-oxopyrimido[4,5-c]quinoline-2-acetic acid derivatives as selective and potent inhibitors of human aldose reductase.
Eur J Med Chem, 152, 2018
4PRT
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BU of 4prt by Molmil
Human Aldose Reductase complexed with Schl12221 ({2-[5-(3-NITROPHENYL)FURAN-2-YL]PHENYL}ACETIC ACID) at 0.96 A
Descriptor: Aldose reductase, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, {2-[5-(3-nitrophenyl)furan-2-yl]phenyl}acetic acid
Authors:Rechlin, C, Heine, A, Klebe, G.
Deposit date:2014-03-06
Release date:2015-04-08
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (0.96 Å)
Cite:Keys to open the specificity pocket: Biphenylic Inhibitors of the human aldose reductase
To be Published
6RHU
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BU of 6rhu by Molmil
Single crystal serial study of the inhibition of laccases from Steccherinum murashkinskyi by chloride anions 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, CHLORIDE ION, COPPER (II) ION, ...
Authors:Polyakov, K.M, Gavryushov, S, Fedorova, T.V, Glazunova, O.A, Popov, A.N.
Deposit date:2019-04-22
Release date:2019-05-01
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (0.96 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
2Z6W
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BU of 2z6w by Molmil
Crystal structure of human cyclophilin D in complex with cyclosporin A
Descriptor: CITRIC ACID, CYCLOSPORIN A, PEPTIDYL-PROLYL CIS-TRANS ISOMERASE
Authors:Kajitani, K, Fujihashi, M, Kobayashi, Y, Shimizu, S, Tsujimoto, Y, Miki, K.
Deposit date:2007-08-09
Release date:2008-04-29
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (0.96 Å)
Cite:Crystal Structure of Human Cyclophilin D in Complex with its Inhibitor, Cyclosporin a at 0.96-A Resolution.
Proteins, 70, 2008
7Q0O
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BU of 7q0o by Molmil
E. coli NfsA
Descriptor: FLAVIN MONONUCLEOTIDE, Oxygen-insensitive NADPH nitroreductase
Authors:White, S.A, Grainger, A, Parr, R, Day, M.A, Jarrom, D, Graziano, A, Searle, P.F, Hyde, E.I.
Deposit date:2021-10-15
Release date:2022-06-22
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (0.96 Å)
Cite:The 3D-structure, kinetics and dynamics of the E. coli nitroreductase NfsA with NADP + provide glimpses of its catalytic mechanism.
Febs Lett., 596, 2022
5DP2
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BU of 5dp2 by Molmil
CurF ER cyclopropanase from curacin A biosynthetic pathway
Descriptor: CurF, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE
Authors:Khare, D, Smith, J.L.
Deposit date:2015-09-12
Release date:2015-11-18
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (0.96 Å)
Cite:Structural Basis for Cyclopropanation by a Unique Enoyl-Acyl Carrier Protein Reductase.
Structure, 23, 2015
5F82
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BU of 5f82 by Molmil
Apo GES-5 C69G mutant
Descriptor: 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, Beta-lactamase
Authors:Smith, C.A, Vakulenko, S.B.
Deposit date:2015-12-08
Release date:2016-09-07
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (0.96 Å)
Cite:Role of the Conserved Disulfide Bridge in Class A Carbapenemases.
J.Biol.Chem., 291, 2016
3ZZP
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BU of 3zzp by Molmil
Circular permutant of ribosomal protein S6, lacking edge strand beta- 2 of wild-type S6.
Descriptor: RIBOSOMAL PROTEIN S6
Authors:Saraboji, K, Haglund, E, Lindberg, M.O, Oliveberg, M, Logan, D.T.
Deposit date:2011-09-02
Release date:2011-11-23
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (0.96 Å)
Cite:Trimming Down a Protein Structure to its Bare Foldons: Spatial Organization of the Cooperative Unit.
J.Biol.Chem., 287, 2012
5ZJ8
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BU of 5zj8 by Molmil
Crystal structure of NDM-1 in complex with D-captopril derivative CY32
Descriptor: (2S)-2,3-disulfanylpropan-1-ol, 1,2-ETHANEDIOL, Metallo-beta-lactamase type 2, ...
Authors:Zhang, H, Hao, Q.
Deposit date:2018-03-19
Release date:2019-03-20
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (0.96 Å)
Cite:Crystal structure of NDM-1
to be published
1X6X
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BU of 1x6x by Molmil
Structure 2: cryocolled crystal structure of the truncated pak pilin from Pseudomonas aeruginosa at 0.95A resolution
Descriptor: Fimbrial protein
Authors:Dunlop, K.V, Irvin, R.T, Hazes, B.
Deposit date:2004-08-12
Release date:2005-04-26
Last modified:2023-12-06
Method:X-RAY DIFFRACTION (0.96 Å)
Cite:Pros and cons of cryocrystallography: should we also collect a room-temperature data set?
Acta Crystallogr.,Sect.D, 61, 2005
2RH2
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BU of 2rh2 by Molmil
High Resolution DHFR R-67
Descriptor: (4R)-2-METHYLPENTANE-2,4-DIOL, Dihydrofolate reductase type 2
Authors:Krahn, J.M, London, R.E.
Deposit date:2007-10-05
Release date:2008-06-03
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (0.96 Å)
Cite:Crystal Structure of a Type II Dihydrofolate Reductase Catalytic Ternary Complex
Biochemistry, 46, 2007
6F1O
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BU of 6f1o by Molmil
Orthorhombic Lysozyme crystallized at 298 K and pH 4.5
Descriptor: CHLORIDE ION, Lysozyme C, PHOSPHATE ION
Authors:Camara-Artigas, A.
Deposit date:2017-11-22
Release date:2018-05-09
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (0.96 Å)
Cite:Orthorhombic lysozyme crystallization at acidic pH values driven by phosphate binding.
Acta Crystallogr D Struct Biol, 74, 2018
8A3G
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BU of 8a3g by Molmil
X-ray crystal structure of a de novo designed antiparallel coiled-coil homotetramer with 4 heptad repeats, apCC-Tet*
Descriptor: ACETATE ION, SODIUM ION, apCC-Tet*
Authors:Naudin, E.A, Mylemans, B, Albanese, K.I, Woolfson, D.N.
Deposit date:2022-06-08
Release date:2022-10-05
Last modified:2022-11-23
Method:X-RAY DIFFRACTION (0.96 Å)
Cite:From peptides to proteins: coiled-coil tetramers to single-chain 4-helix bundles.
Chem Sci, 13, 2022
5ZJ7
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BU of 5zj7 by Molmil
Crystal structure of NDM-1 in complex with D-captopril derivative CY22
Descriptor: (2R)-2-methyl-N-(phenylmethyl)-3-sulfanyl-propanamide, 1,2-ETHANEDIOL, Metallo-beta-lactamase type 2, ...
Authors:Zhang, H, Hao, Q.
Deposit date:2018-03-19
Release date:2019-03-20
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (0.96 Å)
Cite:Crystal structure of NDM-1
to be published

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