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6XQY
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BU of 6xqy by Molmil
Crystal structure of the catalytic domain of PBP2 S310A from Neisseria gonorrhoeae at pH 9.5
Descriptor: CHLORIDE ION, Probable peptidoglycan D,D-transpeptidase PenA
Authors:Fenton, B.A, Zhou, P, Davies, C.
Deposit date:2020-07-10
Release date:2021-07-21
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Mutations in PBP2 from ceftriaxone-resistant Neisseria gonorrhoeae alter the dynamics of the beta 3-beta 4 loop to favor a low-affinity drug-binding state.
J.Biol.Chem., 297, 2021
6XQX
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BU of 6xqx by Molmil
Crystal structure of the catalytic domain of PBP2 S310A from Neisseria gonorrhoeae with the H514A mutation at pH 7.5
Descriptor: 1,2-ETHANEDIOL, Probable peptidoglycan D,D-transpeptidase PenA, SULFATE ION
Authors:Fenton, B.A, Zhou, P, Davies, C.
Deposit date:2020-07-10
Release date:2021-07-21
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.15 Å)
Cite:Mutations in PBP2 from ceftriaxone-resistant Neisseria gonorrhoeae alter the dynamics of the beta 3-beta 4 loop to favor a low-affinity drug-binding state.
J.Biol.Chem., 297, 2021
6XTF
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BU of 6xtf by Molmil
Crystal structure a Thioredoxin Reductase from Gloeobacter violaceus bound to its electron donor
Descriptor: ACETATE ION, DI(HYDROXYETHYL)ETHER, FE2/S2 (INORGANIC) CLUSTER, ...
Authors:Buey, R.M, Gonzalez-Holgado, G, Fernandez-Justel, D, Balsera, M.
Deposit date:2020-01-16
Release date:2021-07-28
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2.23 Å)
Cite:Unexpected diversity of ferredoxin-dependent thioredoxin reductases in cyanobacteria.
Plant Physiol., 186, 2021
2SIC
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BU of 2sic by Molmil
REFINED CRYSTAL STRUCTURE OF THE COMPLEX OF SUBTILISIN BPN' AND STREPTOMYCES SUBTILISIN INHIBITOR AT 1.8 ANGSTROMS RESOLUTION
Descriptor: CALCIUM ION, STREPTOMYCES SUBTILISIN INHIBITOR (SSI), SUBTILISIN BPN'
Authors:Mitsui, Y, Takeuchi, Y, Hirono, S, Akagawa, H, Nakamura, K.T.
Deposit date:1991-04-01
Release date:1993-04-15
Last modified:2017-11-29
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Refined crystal structure of the complex of subtilisin BPN' and Streptomyces subtilisin inhibitor at 1.8 A resolution.
J.Mol.Biol., 221, 1991
2IQ0
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BU of 2iq0 by Molmil
Crystal Structure of Aldose Reductase complexed with Hexanoic Acid
Descriptor: Aldose reductase, HEXANOIC ACID, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE
Authors:Harrison, D.H.T, Brownlee, J.M.
Deposit date:2006-10-12
Release date:2006-11-28
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Structural and thermodynamic studies of simple aldose reductase-inhibitor complexes.
Bioorg.Chem., 34, 2006
5F0Z
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BU of 5f0z by Molmil
Crystal structure of Fructokinase from Vibrio cholerae O395 in fructose, ADP and calcium ion bound form
Descriptor: ADENOSINE-5'-DIPHOSPHATE, CALCIUM ION, Fructokinase, ...
Authors:Paul, R, Nath, S, Sen, U.
Deposit date:2015-11-28
Release date:2016-11-30
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:Crystal structure of Fructokinase from Vibrio cholerae O395 in apo form
To Be Published
2TCL
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BU of 2tcl by Molmil
STRUCTURE OF THE CATALYTIC DOMAIN OF HUMAN FIBROBLAST COLLAGENASE COMPLEXED WITH AN INHIBITOR
Descriptor: CALCIUM ION, FIBROBLAST COLLAGENASE, SAMARIUM (III) ION, ...
Authors:Winkler, F.K, Borkakoti, N, D'Arcy, A.
Deposit date:1994-09-07
Release date:1996-03-08
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Structure of the catalytic domain of human fibroblast collagenase complexed with an inhibitor.
Nat.Struct.Biol., 1, 1994
2J0Z
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p53 tetramerization domain wild type
Descriptor: CELLULAR TUMOR ANTIGEN P53
Authors:Carbajo, R.J, Mora, P, Sanchez del Pino, M.M, Perez-Paya, E, Pineda-Lucena, A.
Deposit date:2006-08-08
Release date:2007-08-28
Last modified:2024-05-15
Method:SOLUTION NMR
Cite:Solvent-exposed residues located in the beta-sheet modulate the stability of the tetramerization domain of p53--a structural and combinatorial approach.
Proteins, 71, 2008
2DSW
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BU of 2dsw by Molmil
Binding of chitin-like polysaccharides to protective signalling factor: crystal structure of the complex of signalling protein from sheep (SPS-40) with a pentasaccharide at 2.8 A resolution
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Chitinase-3-like protein 1, alpha-D-mannopyranose-(1-4)-alpha-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose
Authors:Srivastava, D.B, Ethayathulla, A.S, Kumar, J, Singh, N, Sharma, S, Kaur, P, Bhushan, A, Singh, T.P.
Deposit date:2006-07-07
Release date:2006-08-01
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Carbohydrate binding properties and carbohydrate induced conformational switch in sheep secretory glycoprotein (SPS-40): crystal structures of four complexes of SPS-40 with chitin-like oligosaccharides
J.Struct.Biol., 158, 2007
1JMG
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BU of 1jmg by Molmil
CONTRIBUTIONS OF ORIENTATION AND HYDROGEN BONDING TO CATALYSIS IN ASN-229 MUTANTS OF THYMIDYLATE SYNTHASE
Descriptor: 2'-DEOXYURIDINE 5'-MONOPHOSPHATE, THYMIDYLATE SYNTHASE
Authors:Finer-Moore, J, Stroud, R.M.
Deposit date:1997-09-13
Release date:1998-01-28
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Contributions of orientation and hydrogen bonding to catalysis in Asn229 mutants of thymidylate synthase.
J.Mol.Biol., 276, 1998
8IG4
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BU of 8ig4 by Molmil
Crystal structure of SARS-Cov-2 main protease in complex with GC376
Descriptor: Non-structural protein 11, N~2~-[(benzyloxy)carbonyl]-N-{(2S)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-L-leucinamide
Authors:Zhou, X.L, Zhang, J, Li, J.
Deposit date:2023-02-20
Release date:2024-03-06
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Structural Basis for Coronaviral Main Proteases Inhibition by the 3CLpro Inhibitor GC376.
J.Mol.Biol., 436, 2024
5EST
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BU of 5est by Molmil
Crystallographic analysis of the inhibition of porcine pancreatic elastase by a peptidyl boronic acid: structure of a reaction intermediate
Descriptor: CALCIUM ION, ELASTASE, N~2~-[(benzyloxy)carbonyl]-N-[(1R,2S)-1-(dihydroxyboranyl)-2-methylbutyl]-L-alaninamide, ...
Authors:Takahashi, L.H, Radhakrishnan, R, Rosenfieldjunior, R.E, Meyerjunior, E.F.
Deposit date:1989-05-15
Release date:1992-04-15
Last modified:2024-06-05
Method:X-RAY DIFFRACTION (2.09 Å)
Cite:Crystallographic analysis of the inhibition of porcine pancreatic elastase by a peptidyl boronic acid: structure of a reaction intermediate.
Biochemistry, 28, 1989
4HS2
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BU of 4hs2 by Molmil
Crystal Structure of the Human SPOP C-terminal Domain
Descriptor: Speckle-type POZ protein
Authors:Van Geersdaele, L.K, Stead, M.A, Carr, S.B, Wright, S.C.
Deposit date:2012-10-29
Release date:2013-09-11
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.53 Å)
Cite:Structural basis of high-order oligomerization of the cullin-3 adaptor SPOP.
Acta Crystallogr.,Sect.D, 69, 2013
3SGA
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BU of 3sga by Molmil
STRUCTURES OF PRODUCT AND INHIBITOR COMPLEXES OF STREPTOMYCES GRISEUS PROTEASE A AT 1.8 ANGSTROMS RESOLUTION. A MODEL FOR SERINE PROTEASE CATALYSIS
Descriptor: ACE-PRO-ALA-PRO-PHE-ALDEHYDE, PROTEINASE A (SGPA)
Authors:Sielecki, A.R, James, M.N.G.
Deposit date:1990-05-29
Release date:1991-10-15
Last modified:2024-06-05
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Structures of product and inhibitor complexes of Streptomyces griseus protease A at 1.8 A resolution. A model for serine protease catalysis.
J.Mol.Biol., 144, 1980
8IG6
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BU of 8ig6 by Molmil
Crystal structure of MERS main protease in complex with GC376
Descriptor: N~2~-[(benzyloxy)carbonyl]-N-{(2S)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-L-leucinamide, ORF1a
Authors:Lin, C, Zhang, J, Li, J.
Deposit date:2023-02-20
Release date:2024-03-06
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (2.07 Å)
Cite:Structural Basis for Coronaviral Main Proteases Inhibition by the 3CLpro Inhibitor GC376.
J.Mol.Biol., 436, 2024
8IGA
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BU of 8iga by Molmil
Crystal structure of SARS-Cov-2 main protease K90R mutant in complex with GC376
Descriptor: 3C-like proteinase nsp5, N~2~-[(benzyloxy)carbonyl]-N-{(2S)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-L-leucinamide
Authors:Wang, J, Zhang, J, Li, J.
Deposit date:2023-02-20
Release date:2024-03-06
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (1.63 Å)
Cite:Structural Basis for Coronaviral Main Proteases Inhibition by the 3CLpro Inhibitor GC376.
J.Mol.Biol., 436, 2024
8IOO
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BU of 8ioo by Molmil
Crystal structure of Deinococcus radiodurans RecJ-like protein in complex with Mg2+
Descriptor: MAGNESIUM ION, RecJ-like protein, SULFATE ION
Authors:Cheng, K.
Deposit date:2023-03-13
Release date:2024-03-20
Last modified:2024-07-17
Method:X-RAY DIFFRACTION (2 Å)
Cite:Structural and functional investigation of the DHH/DHHA1 family proteins in Deinococcus radiodurans.
Nucleic Acids Res., 52, 2024
8IG5
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BU of 8ig5 by Molmil
Crystal structure of SARS main protease in complex with GC376
Descriptor: 3C-like proteinase nsp5, N~2~-[(benzyloxy)carbonyl]-N-{(2S)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-L-leucinamide
Authors:Lin, C, Zhang, J, Li, J.
Deposit date:2023-02-20
Release date:2024-03-06
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (2.17 Å)
Cite:Structural Basis for Coronaviral Main Proteases Inhibition by the 3CLpro Inhibitor GC376.
J.Mol.Biol., 436, 2024
5FN2
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BU of 5fn2 by Molmil
Cryo-EM structure of gamma secretase in complex with a drug DAPT
Descriptor: Gamma-secretase subunit APH-1A, Gamma-secretase subunit PEN-2, Nicastrin, ...
Authors:Bai, X.C, Rajendra, E, Yang, G.H, Shi, Y.G, Scheres, S.H.W.
Deposit date:2015-11-10
Release date:2015-12-16
Last modified:2019-09-04
Method:ELECTRON MICROSCOPY (4.2 Å)
Cite:Sampling the conformational space of the catalytic subunit of human gamma-secretase.
Elife, 4, 2015
6Y3X
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BU of 6y3x by Molmil
Crystal structure of the Francisella novicida lysine decarboxylase LdcF
Descriptor: Lysine decarboxylase
Authors:Felix, J, Siebert, C, Gutsche, I, Renesto, P.
Deposit date:2020-02-19
Release date:2021-01-27
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (3.4 Å)
Cite:Structural and functional analysis of the Francisella lysine decarboxylase as a key actor in oxidative stress resistance.
Sci Rep, 11, 2021
8IG7
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BU of 8ig7 by Molmil
Crystal structure of SARS-Cov-2 main protease G15S mutant in complex with GC376
Descriptor: 3C-like proteinase nsp5, N~2~-[(benzyloxy)carbonyl]-N-{(2S)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-L-leucinamide
Authors:Zeng, P, Zhang, J, Li, J.
Deposit date:2023-02-20
Release date:2024-03-06
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (1.69 Å)
Cite:Structural Basis for Coronaviral Main Proteases Inhibition by the 3CLpro Inhibitor GC376.
J.Mol.Biol., 436, 2024
5FJL
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BU of 5fjl by Molmil
Crystal structure of raptor adenovirus 1 fibre head, wild-type form
Descriptor: CHLORIDE ION, FIBER PROTEIN
Authors:Nguyen, T.H, van Raaij, M.J.
Deposit date:2015-10-09
Release date:2016-06-29
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.47 Å)
Cite:Crystal Structure of Raptor Adenovirus 1 Fibre Head and Role of the Beta-Hairpin in Siadenovirus Fibre Head Domains
Virol.J., 13, 2016
8IG9
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BU of 8ig9 by Molmil
Crystal structure of SARS-Cov-2 main protease M49I mutant in complex with GC376
Descriptor: 3C-like proteinase nsp5, N~2~-[(benzyloxy)carbonyl]-N-{(2S)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-L-leucinamide
Authors:Zou, X.F, Zhang, J, Li, J.
Deposit date:2023-02-20
Release date:2024-03-06
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (1.68 Å)
Cite:Structural Basis for Coronaviral Main Proteases Inhibition by the 3CLpro Inhibitor GC376.
J.Mol.Biol., 436, 2024
2UUY
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BU of 2uuy by Molmil
Structure of a tick tryptase inhibitor in complex with bovine trypsin
Descriptor: CALCIUM ION, CATIONIC TRYPSIN, CHLORIDE ION, ...
Authors:Siebold, C, Paesen, G.C, Harlos, K, Peacey, M.F, Nuttall, P.A, Stuart, D.I.
Deposit date:2007-03-08
Release date:2007-04-10
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (1.15 Å)
Cite:A Tick Protein with a Modified Kunitz Fold Inhibits Human Tryptase.
J.Mol.Biol., 368, 2007
8IG8
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BU of 8ig8 by Molmil
Crystal structure of SARS-Cov-2 main protease S46F mutant in complex with GC376
Descriptor: 3C-like proteinase nsp5, N~2~-[(benzyloxy)carbonyl]-N-{(2S)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-L-leucinamide
Authors:Zeng, X.Y, Zhang, J, Li, J.
Deposit date:2023-02-20
Release date:2024-03-06
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (1.73 Å)
Cite:Structural Basis for Coronaviral Main Proteases Inhibition by the 3CLpro Inhibitor GC376.
J.Mol.Biol., 436, 2024

223790

数据于2024-08-14公开中

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