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6S3T
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BU of 6s3t by Molmil
P46, an immunodominant surface protein from Mycoplasma hyopneumoniae
Descriptor: 46 kDa surface antigen, Immunoglobulin heavy chain, Immunoglobulin light chain, ...
Authors:Guasch, A, Gonzalez-Gonzalez, L, Fita, I.
Deposit date:2019-06-26
Release date:2019-11-13
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (3.5 Å)
Cite:Structure of P46, an immunodominant surface protein from Mycoplasma hyopneumoniae: interaction with a monoclonal antibody.
Acta Crystallogr D Struct Biol, 76, 2020
6RQG
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BU of 6rqg by Molmil
P46, an immunodominant surface protein from Mycoplasma hyopneumoniae
Descriptor: 46 kDa surface antigen, SODIUM ION
Authors:Guasch, A, Fita, I.
Deposit date:2019-05-15
Release date:2019-11-13
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (3.1 Å)
Cite:Structure of P46, an immunodominant surface 58 protein from Mycoplasma hyopneumoniae:interaction with a monoclonal antibody
Acta Crys Section D, D76, 2020
6RUX
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BU of 6rux by Molmil
P46, an immunodominant surface protein from Mycoplasma hyopneumoniae
Descriptor: 46 kDa surface antigen, SODIUM ION, alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose
Authors:Guasch, A, Gonzalez-Gonzalez, L, Fita, I.
Deposit date:2019-05-29
Release date:2019-11-13
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Structure of P46, an immunodominant surface protein from Mycoplasma hyopneumoniae: interaction with a monoclonal antibody.
Acta Crystallogr D Struct Biol, 76, 2020
6T5P
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BU of 6t5p by Molmil
Human Carbonic anhydrase XII bound by 3,5-Di-tert-butylbenzenesulfonamide
Descriptor: 1,2-ETHANEDIOL, 3,5-di~{tert}-butylbenzenesulfonamide, Carbonic anhydrase 12, ...
Authors:Smirnov, A, Manakova, E, Grazulis, S.
Deposit date:2019-10-16
Release date:2020-10-14
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Isoform-Selective Enzyme Inhibitors by Exploring Pocket Size According to the Lock-and-Key Principle.
Biophys.J., 119, 2020
6T4P
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BU of 6t4p by Molmil
Human Carbonic anhydrase II bound by napthalene-1-sulfonamide
Descriptor: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, DIMETHYL SULFOXIDE, SODIUM ION, ...
Authors:Smirnov, A, Manakova, E, Grazulis, S.
Deposit date:2019-10-14
Release date:2020-10-14
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:Isoform-Selective Enzyme Inhibitors by Exploring Pocket Size According to the Lock-and-Key Principle.
Biophys.J., 119, 2020
4HGZ
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BU of 4hgz by Molmil
Structure of the CcbJ Methyltransferase from Streptomyces caelestis
Descriptor: 1,2-ETHANEDIOL, CcbJ, LITHIUM ION, ...
Authors:Bauer, J.A, Ondrovicova, G, Kutejova, E, Janata, J.
Deposit date:2012-10-09
Release date:2013-10-30
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Structure and possible mechanism of the CcbJ methyltransferase from Streptomyces caelestis.
Acta Crystallogr.,Sect.D, 70, 2014
3B1M
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BU of 3b1m by Molmil
Crystal structure of the PPARgamma-LBD complexed with a cercosporamide derivative modulator Cerco-A
Descriptor: (9aS)-8-acetyl-N-[(2-ethylnaphthalen-1-yl)methyl]-1,7-dihydroxy-3-methoxy-9a-methyl-9-oxo-9,9a-dihydrodibenzo[b,d]furan-4-carboxamide, Peroxisome proliferator-activated receptor gamma, Peroxisome proliferator-activated receptor gamma coactivator 1-alpha
Authors:Matsui, Y, Hiroyuki, H.
Deposit date:2011-07-05
Release date:2011-08-24
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Pharmacology and in Vitro Profiling of a Novel Peroxisome Proliferator-Activated Receptor gamma Ligand, Cerco-A
Biol.Pharm.Bull., 34, 2011
7XYD
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BU of 7xyd by Molmil
Crystal structure of TMPRSS2 in complex with Nafamostat
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 4-carbamimidamidobenzoic acid, CALCIUM ION, ...
Authors:Wang, H, Liu, X, Duan, Y, Liu, X, Sun, L, Yang, H.
Deposit date:2022-06-01
Release date:2023-12-06
Last modified:2024-06-19
Method:X-RAY DIFFRACTION (2.58 Å)
Cite:Structure-based discovery of dual pathway inhibitors for SARS-CoV-2 entry.
Nat Commun, 14, 2023
7Y0F
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BU of 7y0f by Molmil
Crystal structure of TMPRSS2 in complex with UK-371804
Descriptor: 2-[(1-carbamimidamido-4-chloranyl-isoquinolin-7-yl)sulfonylamino]-2-methyl-propanoic acid, 2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, ...
Authors:Wang, H, Duan, Y, Liu, X, Sun, L, Yang, H.
Deposit date:2022-06-04
Release date:2023-12-06
Last modified:2024-06-19
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Structure-based discovery of dual pathway inhibitors for SARS-CoV-2 entry.
Nat Commun, 14, 2023
7Y0E
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BU of 7y0e by Molmil
Crystal structure of TMPRSS2 in complex with Camostat
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 4-carbamimidamidobenzoic acid, CALCIUM ION, ...
Authors:Wang, H, Duan, Y, Liu, X, Sun, L, Yang, H.
Deposit date:2022-06-04
Release date:2023-12-06
Last modified:2024-06-19
Method:X-RAY DIFFRACTION (2.39 Å)
Cite:Structure-based discovery of dual pathway inhibitors for SARS-CoV-2 entry.
Nat Commun, 14, 2023
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
4HGY
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BU of 4hgy by Molmil
Structure of the CcbJ Methyltransferase from Streptomyces caelestis
Descriptor: 1,2-ETHANEDIOL, CcbJ, SULFATE ION
Authors:Bauer, J.A, Ondrovicova, G, Kutejova, E, Janata, J.
Deposit date:2012-10-09
Release date:2013-10-30
Last modified:2014-04-16
Method:X-RAY DIFFRACTION (3 Å)
Cite:Structure and possible mechanism of the CcbJ methyltransferase from Streptomyces caelestis.
Acta Crystallogr.,Sect.D, 70, 2014
6T4N
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BU of 6t4n by Molmil
Human Carbonic anhydrase II bound by 2,4,6-trimethylbenzenesulfonamide
Descriptor: 2,4,6-trimethylbenzenesulfonamide, 2-piperazin-1-ylethanol, BICINE, ...
Authors:Smirnov, A, Manakova, E, Grazulis, S.
Deposit date:2019-10-14
Release date:2020-10-14
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.4 Å)
Cite:Isoform-Selective Enzyme Inhibitors by Exploring Pocket Size According to the Lock-and-Key Principle.
Biophys.J., 119, 2020
6T5C
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BU of 6t5c by Molmil
Human Carbonic anhydrase II bound by anthracene-9-sulfonamide
Descriptor: BICINE, DI(HYDROXYETHYL)ETHER, DIMETHYL SULFOXIDE, ...
Authors:Smirnov, A, Manakova, E, Grazulis, S.
Deposit date:2019-10-15
Release date:2020-10-14
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.22 Å)
Cite:Isoform-Selective Enzyme Inhibitors by Exploring Pocket Size According to the Lock-and-Key Principle.
Biophys.J., 119, 2020
6T5Q
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BU of 6t5q by Molmil
Human Carbonic anhydrase XII bound by 3,5-diphenylbenzenesulfonamide
Descriptor: 1,2-ETHANEDIOL, 3,5-diphenylbenzenesulfonamide, Carbonic anhydrase 12, ...
Authors:Smirnov, A, Manakova, E, Grazulis, S.
Deposit date:2019-10-16
Release date:2020-10-14
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Isoform-Selective Enzyme Inhibitors by Exploring Pocket Size According to the Lock-and-Key Principle.
Biophys.J., 119, 2020
3OCZ
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BU of 3ocz by Molmil
Structure of Recombinant Haemophilus influenzae e(P4) Acid Phosphatase Complexed with the inhibitor adenosine 5-O-thiomonophosphate
Descriptor: ADENOSINE -5'-THIO-MONOPHOSPHATE, Lipoprotein E, MAGNESIUM ION
Authors:Singh, H, Schuermann, J, Reilly, T, Calcutt, M, Tanner, J.
Deposit date:2010-08-10
Release date:2011-07-20
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (1.35 Å)
Cite:Structural basis of the inhibition of class C acid phosphatases by adenosine 5'-phosphorothioate.
Febs J., 278, 2011
2DKV
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BU of 2dkv by Molmil
Crystal structure of class I chitinase from Oryza sativa L. japonica
Descriptor: (4S)-2-METHYL-2,4-PENTANEDIOL, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, chitinase
Authors:Kezuka, Y, Nishizawa, Y, Watanabe, T, Nonaka, T.
Deposit date:2006-04-14
Release date:2007-05-01
Last modified:2020-01-01
Method:X-RAY DIFFRACTION (2 Å)
Cite:Structure of full-length class I chitinase from rice revealed by X-ray crystallography and small-angle X-ray scattering.
Proteins, 78, 2010
7RAQ
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BU of 7raq by Molmil
Crystal structure of CV3-25 Fab bound to SARS-CoV-2 spike stem helix peptide
Descriptor: CV3-25 Fab Heavy Chain, CV3-25 Fab Light Chain, GLYCEROL, ...
Authors:Hurlburt, N.K, Pancera, M.
Deposit date:2021-07-02
Release date:2022-04-13
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.74 Å)
Cite:Structural definition of a pan-sarbecovirus neutralizing epitope on the spike S2 subunit.
Commun Biol, 5, 2022
7RWF
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BU of 7rwf by Molmil
Crystal structure of CDK2 in complex with TW8672
Descriptor: 1,2-ETHANEDIOL, 2-{[2-(1H-indol-3-yl)ethyl]amino}-5-nitrobenzoic acid, Cyclin-dependent kinase 2
Authors:Sun, L, Schonbrunn, E.
Deposit date:2021-08-19
Release date:2022-08-24
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Development of allosteric and selective CDK2 inhibitors for contraception with negative cooperativity to cyclin binding.
Nat Commun, 14, 2023
7S84
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BU of 7s84 by Molmil
Crystal structure of CDK2 liganded with compound TW8972
Descriptor: 2-{[2-(1H-indol-3-yl)ethyl]amino}-5-(trifluoromethyl)benzoic acid, Cyclin-dependent kinase 2
Authors:Sun, L, Schonbrunn, E.
Deposit date:2021-09-17
Release date:2022-09-28
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (2 Å)
Cite:Development of allosteric and selective CDK2 inhibitors for contraception with negative cooperativity to cyclin binding.
Nat Commun, 14, 2023
6EOY
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BU of 6eoy by Molmil
Transthyretin in complex with 4-(1,3-Benzothiazol-2-yl)-2-methylaniline
Descriptor: 4-(1,3-benzothiazol-2-yl)-2-methyl-aniline, Transthyretin
Authors:Leite, J.P, Gales, L.
Deposit date:2017-10-10
Release date:2021-10-06
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.38 Å)
Cite:Targeting transthyretin in Alzheimer's disease: Drug discovery of small-molecule chaperones as disease-modifying drug candidates for Alzheimer's disease.
Eur.J.Med.Chem., 226, 2021
5FS4
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BU of 5fs4 by Molmil
Bacteriophage AP205 coat protein
Descriptor: AP205 BACTERIOPHAGE COAT PROTEIN
Authors:Shishovs, M, Tars, K.
Deposit date:2015-12-29
Release date:2016-09-21
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (1.73 Å)
Cite:Structure of Ap205 Coat Protein Reveals Circular Permutation in Ssrna Bacteriophages.
J.Mol.Biol., 428, 2016
6IZN
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BU of 6izn by Molmil
Crystal structure of the PPARgamma-LBD complexed with compound 3g
Descriptor: 3-[[6-(2,6-dimethylpyridin-3-yl)oxy-7-fluoranyl-1-methyl-benzimidazol-2-yl]methoxy]benzoic acid, Peptide from Peroxisome proliferator-activated receptor gamma coactivator 1-alpha, Peroxisome proliferator-activated receptor gamma
Authors:Matsui, Y, Hanzawa, H.
Deposit date:2018-12-20
Release date:2019-03-27
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:Structure-Activity Relationship Studies of 3- or 4-Pyridine Derivatives of DS-6930.
Acs Med.Chem.Lett., 10, 2019
2BKJ
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BU of 2bkj by Molmil
NADPH:FMN OXIDOREDUCTASE FROM VIBRIO HARVEYI COMPLEXED WITH NAD+
Descriptor: FLAVIN MONONUCLEOTIDE, FLAVIN REDUCTASE, NICOTINAMIDE-ADENINE-DINUCLEOTIDE
Authors:Tanner, J.J, TU, S.-C, Krause, K.L.
Deposit date:1998-07-23
Release date:1999-09-10
Last modified:2024-05-22
Method:X-RAY DIFFRACTION (2.08 Å)
Cite:Unusual folded conformation of nicotinamide adenine dinucleotide bound to flavin reductase P.
Protein Sci., 8, 1999
1CER
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BU of 1cer by Molmil
DETERMINANTS OF ENZYME THERMOSTABILITY OBSERVED IN THE MOLECULAR STRUCTURE OF THERMUS AQUATICUS D-GLYCERALDEHYDE-3-PHOSPHATE DEHYDROGENASE AT 2.5 ANGSTROMS RESOLUTION
Descriptor: HOLO-D-GLYCERALDEHYDE-3-PHOSPHATE DEHYDROGENASE, NICOTINAMIDE-ADENINE-DINUCLEOTIDE
Authors:Tanner, J.J, Hecht, R.M, Krause, K.L.
Deposit date:1995-11-11
Release date:1996-03-08
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Determinants of enzyme thermostability observed in the molecular structure of Thermus aquaticus D-glyceraldehyde-3-phosphate dehydrogenase at 25 Angstroms Resolution.
Biochemistry, 35, 1996

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数据于2024-07-03公开中

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