8R7Y
 
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8R3G
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6RLE
 | | Crystal structure of human monoamine oxidase B in complex with styrylpiperidine analogue 97 | | Descriptor: | 4-[2-(4-propan-2-ylphenyl)ethyl]-1-[(~{E})-prop-1-enyl]piperidine, Amine oxidase [flavin-containing] B, FLAVIN-ADENINE DINUCLEOTIDE, ... | | Authors: | Iacovino, L.G, Knez, D, Colettis, N, Sova, M, Pislar, A, Higgs, J, Kamecki, F, Mangialavori, I, Dolsak, A, Zakelj, S, Trontelj, J, Kos, J, Marder, N.M, Gobec, S, Binda, C. | | Deposit date: | 2019-05-02 | | Release date: | 2020-01-29 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Stereoselective Activity of 1-Propargyl-4-styrylpiperidine-like Analogues That Can Discriminate between Monoamine Oxidase Isoforms A and B.
J.Med.Chem., 63, 2020
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6RKB
 | | Crystal structure of human monoamine oxidase B in complex with styrylpiperidine analogue 1 | | Descriptor: | 4-[(~{E})-2-(4-fluorophenyl)ethenyl]-1-[(~{E})-prop-1-enyl]piperidine, Amine oxidase [flavin-containing] B, FLAVIN-ADENINE DINUCLEOTIDE, ... | | Authors: | Iacovino, L.G, Knez, D, Colettis, N, Sova, M, Pislar, A, Higgs, J, Kamecki, F, Mangialavori, I, Dolsak, A, Zakelj, S, Trontelj, J, Kos, J, Marder, N.M, Gobec, S, Binda, C. | | Deposit date: | 2019-04-30 | | Release date: | 2020-01-29 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Stereoselective Activity of 1-Propargyl-4-styrylpiperidine-like Analogues That Can Discriminate between Monoamine Oxidase Isoforms A and B.
J.Med.Chem., 63, 2020
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6RKP
 | | Crystal structure of human monoamine oxidase B in complex with styrylpiperidine analogue 84 | | Descriptor: | 1-[(~{E})-prop-1-enyl]-4-[(~{E})-2-[4-(trifluoromethyl)phenyl]ethenyl]piperidine, Amine oxidase [flavin-containing] B, FLAVIN-ADENINE DINUCLEOTIDE, ... | | Authors: | Iacovino, L.G, Knez, D, Colettis, N, Sova, M, Pislar, A, Higgs, J, Kamecki, F, Mangialavori, I, Dolsak, A, Zakelj, S, Trontelj, J, Kos, J, Marder, N.M, Gobec, S, Binda, C. | | Deposit date: | 2019-04-30 | | Release date: | 2020-01-29 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Stereoselective Activity of 1-Propargyl-4-styrylpiperidine-like Analogues That Can Discriminate between Monoamine Oxidase Isoforms A and B.
J.Med.Chem., 63, 2020
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4UNE
 | | Human insulin B26Phe mutant crystal structure | | Descriptor: | INSULIN A CHAIN, INSULIN B CHAIN, SULFATE ION | | Authors: | Zakova, L, Klevtikova, E, Lepsik, M, Collinsova, M, Watson, C.J, Turkenburg, J.P, Jiracek, J, Brzozowski, A.M. | | Deposit date: | 2014-05-28 | | Release date: | 2014-10-15 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (1.59 Å) | | Cite: | Human Insulin Analogues Modified at the B26 Site Reveal a Hormone Conformation that is Undetected in the Receptor Complex
Acta Crystallogr.,Sect.D, 70, 2014
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4UNG
 | | Human insulin B26Asn mutant crystal structure | | Descriptor: | INSULIN A CHAIN, INSULIN B CHAIN, SULFATE ION | | Authors: | Zakova, L, Klevtikova, E, Lepsik, M, Collinsova, M, Watson, C.J, Turkenburg, J.P, Jiracek, J, Brzozowski, A.M. | | Deposit date: | 2014-05-28 | | Release date: | 2014-10-15 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (1.81 Å) | | Cite: | Human Insulin Analogues Modified at the B26 Site Reveal a Hormone Conformation that is Undetected in the Receptor Complex
Acta Crystallogr.,Sect.D, 70, 2014
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4UNH
 | | Human insulin B26Gly mutant crystal structure | | Descriptor: | INSULIN A CHAIN, INSULIN B CHAIN, SULFATE ION | | Authors: | Zakova, L, Klevtikova, E, Lepsik, M, Collinsova, M, Watson, C.J, Turkenburg, J.P, Jiracek, J, Brzozowski, A.M. | | Deposit date: | 2014-05-28 | | Release date: | 2014-10-15 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (2.75 Å) | | Cite: | Human Insulin Analogues Modified at the B26 Site Reveal a Hormone Conformation that is Undetected in the Receptor Complex
Acta Crystallogr.,Sect.D, 70, 2014
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4CXL
 | | Human insulin analogue (D-ProB8)-insulin | | Descriptor: | CHLORIDE ION, INSULIN A CHAIN, INSULIN B CHAIN | | Authors: | Kosinova, L, Veverka, V, Novotna, P, Collinsova, M, Urbanova, M, Jiracek, J, Moody, N.R, Turkenburg, J.P, Brzozowski, A.M, Zakova, L. | | Deposit date: | 2014-04-07 | | Release date: | 2014-05-28 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (1.5 Å) | | Cite: | An Insight Into Structural and Biological Relevance of the T/R Transition of the B-Chain N-Terminus in Human Insulin.
Biochemistry, 53, 2014
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4CXN
 | | Crystal structure of human insulin analogue (NMe-AlaB8)-insulin crystal form I | | Descriptor: | INSULIN A CHAIN, INSULIN B CHAIN | | Authors: | Kosinova, L, Veverka, V, Novotna, P, Collinsova, M, Urbanova, M, Jiracek, J, Moody, N.R, Turkenburg, J.P, Brzozowski, A.M, Zakova, L. | | Deposit date: | 2014-04-07 | | Release date: | 2014-05-28 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | An Insight Into Structural and Biological Relevance of the T/R Transition of the B-Chain N-Terminus in Human Insulin.
Biochemistry, 53, 2014
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4CY7
 | | Crystal structure of human insulin analogue (NMe-AlaB8)-insulin crystal form II | | Descriptor: | ACETATE ION, INSULIN A CHAIN, INSULIN B CHAIN, ... | | Authors: | Kosinova, L, Veverka, V, Novotna, P, Collinsova, M, Urbanova, M, Jiracek, J, Moody, N.R, Turkenburg, J.P, Brzozowski, A.M, Zakova, L. | | Deposit date: | 2014-04-10 | | Release date: | 2014-05-28 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (1.4 Å) | | Cite: | An Insight Into Structural and Biological Relevance of the T/R Transition of the B-Chain N-Terminus in Human Insulin.
Biochemistry, 53, 2014
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1N88
 | | NMR structure of the ribosomal protein L23 from Thermus thermophilus. | | Descriptor: | Ribosomal protein L23 | | Authors: | Ohman, A, Rak, A, Dontsova, M, Garber, M.B, Hard, T. | | Deposit date: | 2002-11-20 | | Release date: | 2003-06-10 | | Last modified: | 2024-05-29 | | Method: | SOLUTION NMR | | Cite: | NMR structure of the ribosomal protein L23 from Thermus thermophilus.
J.Biomol.NMR, 26, 2003
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8BOL
 | | X-ray structure of human glutamate carboxypeptidase II (GCPII) in complex with an inhibitor P18 | | Descriptor: | (2~{S})-2-[[(2~{S})-1-oxidanyl-1-oxidanylidene-6-[[(~{E},2~{S})-5-phenyl-2-[[4-[[2-[4,7,10-tris(2-hydroxy-2-oxoethyl)-1,4,7,10-tetrazacyclododec-1-yl]ethanoylamino]methyl]cyclohexyl]carbonylamino]pent-4-enoyl]amino]hexan-2-yl]carbamoylamino]pentanedioic acid, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | | Authors: | Motlova, L, Barinka, C, Benesova, M. | | Deposit date: | 2022-11-15 | | Release date: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (1.55 Å) | | Cite: | X-ray structure of human glutamate carboxypeptidase II (GCPII) in complex with an inhibitor P18
To Be Published
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8BOW
 | | X-ray structure of human glutamate carboxypeptidase II (GCPII) in complex with an inhibitor 617 | | Descriptor: | (2~{S})-2-[[(2~{S})-6-[[(2~{S})-3-naphthalen-2-yl-2-[[4-[[2-[(11~{Z})-4,7,10-tris(2-hydroxy-2-oxoethyl)-1,4,7,10-tetrazacyclododec-11-en-1-yl]ethanoylamino]methyl]cyclohexyl]carbonylamino]propanoyl]amino]-1-oxidanyl-1-oxidanylidene-hexan-2-yl]carbamoylamino]pentanedioic acid, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | | Authors: | Motlova, L, Barinka, C, Benesova, M. | | Deposit date: | 2022-11-15 | | Release date: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (1.58 Å) | | Cite: | X-ray structure of human glutamate carboxypeptidase II (GCPII) in complex with an inhibitor 617
To Be Published
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8BO8
 | | X-ray structure of human glutamate carboxypeptidase II (GCPII) in complex with an inhibitor P17 | | Descriptor: | (2~{S})-2-[[(2~{S})-1-oxidanyl-1-oxidanylidene-6-[[(~{E},2~{S})-5-phenyl-2-[[4-[[2-[4,7,10-tris(2-hydroxy-2-oxoethyl)-1,4,7,10-tetrazacyclododec-1-yl]ethanoylamino]methyl]cyclohexyl]carbonylamino]pent-4-enoyl]amino]hexan-2-yl]carbamoylamino]pentanedioic acid, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | | Authors: | Motlova, L, Barinka, C, Benesova, M. | | Deposit date: | 2022-11-15 | | Release date: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (1.55 Å) | | Cite: | X-ray structure of human glutamate carboxypeptidase II (GCPII) in complex with an inhibitor P17
To Be Published
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5O1Q
 | | LysF1 sh3b domain structure | | Descriptor: | sh3b domain | | Authors: | Benesik, M, Novacek, J, Janda, L, Dopitova, R, Pernisova, M, Melkova, K, Tisakova, L, Doskar, J, Zidek, L, Hejatko, J, Pantucek, R. | | Deposit date: | 2017-05-19 | | Release date: | 2017-09-20 | | Last modified: | 2024-06-19 | | Method: | SOLUTION NMR | | Cite: | Role of SH3b binding domain in a natural deletion mutant of Kayvirus endolysin LysF1 with a broad range of lytic activity.
Virus Genes, 54, 2018
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7BHY
 | | DNA-binding domain of DeoR in complex with the DNA operator | | Descriptor: | DNA operator - strand 1, DNA operator - strand 2, Deoxyribonucleoside regulator, ... | | Authors: | Novakova, M, Rezacova, P, Skerlova, J, Brynda, J. | | Deposit date: | 2021-01-11 | | Release date: | 2021-11-10 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Structural insight into DNA recognition by bacterial transcriptional regulators of the SorC/DeoR family.
Acta Crystallogr D Struct Biol, 77, 2021
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1SJ9
 | | Crystal structure of the uridine phosphorylase from Salmonella typhimurium at 2.5A resolution | | Descriptor: | PHOSPHATE ION, Uridine phosphorylase | | Authors: | Dontsova, M, Gabdoulkhakov, A, Morgunova, E, Garber, M, Nikonov, S, Betzel, C, Ealick, S, Mikhailov, A. | | Deposit date: | 2004-03-03 | | Release date: | 2005-03-08 | | Last modified: | 2023-08-23 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Preliminary investigation of the three-dimensional structure of Salmonella typhimurium uridine phosphorylase in the crystalline state.
Acta Crystallogr.,Sect.F, 61, 2005
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7OYK
 | | DNA-binding domain of CggR in complex with the DNA operator | | Descriptor: | 1,2-ETHANEDIOL, CALCIUM ION, Central glycolytic genes regulator, ... | | Authors: | Novakova, M, Rezacova, P, Skerlova, J, Brynda, J. | | Deposit date: | 2021-06-24 | | Release date: | 2021-11-10 | | Last modified: | 2021-11-24 | | Method: | X-RAY DIFFRACTION (2.101 Å) | | Cite: | Structural insight into DNA recognition by bacterial transcriptional regulators of the SorC/DeoR family.
Acta Crystallogr D Struct Biol, 77, 2021
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5LMK
 | | Structure of phopsho-CDK2-cyclin A in complex with an ATP-competitive inhibitor | | Descriptor: | 4-[4-[3-bromanyl-7-(pyridin-3-ylmethylamino)pyrazolo[1,5-a]pyrimidin-5-yl]phenyl]benzamide, Cyclin-A2, Cyclin-dependent kinase 2, ... | | Authors: | Echalier, A. | | Deposit date: | 2016-08-01 | | Release date: | 2017-01-25 | | Last modified: | 2024-05-01 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Explicit treatment of active-site waters enhances quantum mechanical/implicit solvent scoring: Inhibition of CDK2 by new pyrazolo[1,5-a]pyrimidines.
Eur J Med Chem, 126, 2016
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6F7Q
 | | Human Butyrylcholinesterase complexed with N-Propargyliperidines | | Descriptor: | 1,2-ETHANEDIOL, 2-[[(3~{R})-1-(2,3-dihydro-1~{H}-inden-2-yl)piperidin-3-yl]methyl-(8-oxidanylquinolin-2-yl)carbonyl-amino]ethyl-dimethyl-azanium, 2-acetamido-2-deoxy-beta-D-glucopyranose, ... | | Authors: | Coquelle, N, Knez, D, Colletier, J.P, Gobec, S. | | Deposit date: | 2017-12-11 | | Release date: | 2018-09-05 | | Last modified: | 2024-05-01 | | Method: | X-RAY DIFFRACTION (2.6 Å) | | Cite: | Multi-target-directed ligands for treating Alzheimer's disease: Butyrylcholinesterase inhibitors displaying antioxidant and neuroprotective activities.
Eur.J.Med.Chem., 156, 2018
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6I0B
 | | Human butyrylcholinesterase in complex with the S enantiomer of a chlorotacrine-tryptophan multi-target inhibitor. | | Descriptor: | (2~{S})-2-azanyl-~{N}-[6-[(6-chloranyl-1,2,3,4-tetrahydroacridin-9-yl)amino]hexyl]-3-(1~{H}-indol-3-yl)propanamide, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 2-acetamido-2-deoxy-beta-D-glucopyranose, ... | | Authors: | Brazzolotto, X, Nachon, F. | | Deposit date: | 2018-10-25 | | Release date: | 2019-03-27 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (2.384 Å) | | Cite: | Novel tacrine-tryptophan hybrids: Multi-target directed ligands as potential treatment for Alzheimer's disease.
Eur.J.Med.Chem., 168, 2019
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6I0C
 | | Human butyrylcholinesterase in complex with the R enantiomer of a chlorotacrine-tryptophan multi-target inhibitor. | | Descriptor: | (2~{R})-2-azanyl-~{N}-[6-[(6-chloranyl-1,2,3,4-tetrahydroacridin-9-yl)amino]hexyl]-3-(1~{H}-indol-3-yl)propanamide, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 2-acetamido-2-deoxy-beta-D-glucopyranose, ... | | Authors: | Brazzolotto, X, Nachon, F. | | Deposit date: | 2018-10-25 | | Release date: | 2019-03-27 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (2.675 Å) | | Cite: | Novel tacrine-tryptophan hybrids: Multi-target directed ligands as potential treatment for Alzheimer's disease.
Eur.J.Med.Chem., 168, 2019
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5NUU
 | | Torpedo californica acetylcholinesterase in complex with a chlorotacrine-tryptophan hybrid inhibitor | | Descriptor: | (2~{S})-2-azanyl-~{N}-[6-[(6-chloranyl-1,2,3,4-tetrahydroacridin-9-yl)amino]hexyl]-3-(1~{H}-indol-3-yl)propanamide, Acetylcholinesterase, alpha-D-mannopyranose-(1-3)-beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | | Authors: | Caliandro, R, Pesaresi, A, Lamba, D. | | Deposit date: | 2017-05-02 | | Release date: | 2018-05-30 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Novel tacrine-tryptophan hybrids: Multi-target directed ligands as potential treatment for Alzheimer's disease.
Eur.J.Med.Chem., 168, 2019
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8A5X
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