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6R5H
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BU of 6r5h by Molmil
Major aspartyl peptidase 1 from C. neoformans
分子名称: 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ACETIC ACID, ...
著者Krystufek, R, Sacha, P, Brynda, J, Konvalinka, J.
登録日2019-03-25
公開日2021-04-07
最終更新日2021-06-09
実験手法X-RAY DIFFRACTION (1.75 Å)
主引用文献Re-emerging Aspartic Protease Targets: Examining Cryptococcus neoformans Major Aspartyl Peptidase 1 as a Target for Antifungal Drug Discovery.
J.Med.Chem., 64, 2021
6R6A
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BU of 6r6a by Molmil
Major aspartyl peptidase 1 from C. neoformans
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, DI(HYDROXYETHYL)ETHER, Endopeptidase, ...
著者Krystufek, R, Sacha, P, Brynda, J, Konvalinka, J.
登録日2019-03-26
公開日2021-04-07
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Re-emerging Aspartic Protease Targets: Examining Cryptococcus neoformans Major Aspartyl Peptidase 1 as a Target for Antifungal Drug Discovery.
J.Med.Chem., 64, 2021
6R61
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BU of 6r61 by Molmil
Major aspartyl peptidase 1 from C. neoformans in complex with Inhibitor LP258
分子名称: (3~{S},7~{S},8~{S})-7-oxidanyl-8-(phenylmethyl)-3-(pyridin-2-ylmethyl)-1,4,9-triazacyclotricosane-2,5,10-trione, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CHLORIDE ION, ...
著者Krystufek, R, Sacha, P, Brynda, J, Konvalinka, J.
登録日2019-03-26
公開日2021-04-07
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.81 Å)
主引用文献Major aspartyl peptidase 1 from C. neoformans in complex with Inhibitor LP258
To Be Published
3RBU
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BU of 3rbu by Molmil
N-terminally AviTEV-tagged Human Glutamate Carboxypeptidase II in complex with 2-PMPA
分子名称: (2S)-2-(PHOSPHONOMETHYL)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, ...
著者Tykvart, J, Sacha, P, Barinka, C, Starkova, J, Knedlik, T, Lubkowski, J, Konvalinka, J.
登録日2011-03-30
公開日2012-01-04
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Efficient and versatile one-step affinity purification of in vivo biotinylated proteins: Expression, characterization and structure analysis of recombinant human glutamate carboxypeptidase II.
Protein Expr.Purif., 82, 2012
4TWE
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BU of 4twe by Molmil
Structure of ligand-free N-acetylated-alpha-linked-acidic-dipeptidase like protein (NAALADaseL)
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, ...
著者Tykvart, J, Barinka, C, Lubkowski, J, Sacha, P, Konvalinka, J.
登録日2014-06-30
公開日2015-03-18
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (1.75 Å)
主引用文献Structural and biochemical characterization of a novel aminopeptidase from human intestine.
J.Biol.Chem., 290, 2015
4MCS
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BU of 4mcs by Molmil
A high resolution structure of human glutamate carboxypeptidase II (GCPII) His475Tyr variant in complex with glutamic acid
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ASPARTIC ACID, ...
著者Ptacek, J, Barinka, C, Sacha, P, Navratil, M.
登録日2013-08-21
公開日2014-06-18
最終更新日2020-07-29
実験手法X-RAY DIFFRACTION (1.83 Å)
主引用文献Structural and biochemical characterization of the folyl-poly-gamma-l-glutamate hydrolyzing activity of human glutamate carboxypeptidase II.
Febs J., 281, 2014
4NGS
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BU of 4ngs by Molmil
Crystal Structure of Glutamate Carboxypeptidase II in a complex with urea-based inhibitor
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, ...
著者Tykvart, J, Pachl, P.
登録日2013-11-02
公開日2014-06-18
最終更新日2020-07-29
実験手法X-RAY DIFFRACTION (1.68 Å)
主引用文献Rational design of urea-based glutamate carboxypeptidase II (GCPII) inhibitors as versatile tools for specific drug targeting and delivery.
Bioorg.Med.Chem., 22, 2014
4NGR
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BU of 4ngr by Molmil
Crystal Structure of Glutamate Carboxypeptidase II in a complex with urea-based inhibitor
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, ...
著者Tykvart, J, Pachl, P.
登録日2013-11-02
公開日2014-06-18
最終更新日2020-07-29
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Rational design of urea-based glutamate carboxypeptidase II (GCPII) inhibitors as versatile tools for specific drug targeting and delivery.
Bioorg.Med.Chem., 22, 2014
4NGM
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BU of 4ngm by Molmil
Crystal Structure of Glutamate Carboxypeptidase II in a complex with urea-based inhibitor
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, ...
著者Tykvart, J, Pachl, P.
登録日2013-11-02
公開日2014-06-18
最終更新日2020-07-29
実験手法X-RAY DIFFRACTION (1.84 Å)
主引用文献Rational design of urea-based glutamate carboxypeptidase II (GCPII) inhibitors as versatile tools for specific drug targeting and delivery.
Bioorg.Med.Chem., 22, 2014
4NGT
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BU of 4ngt by Molmil
Crystal Structure of Glutamate Carboxypeptidase II in a complex with urea-based inhibitor
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, ...
著者Tykvart, J, Pachl, P.
登録日2013-11-02
公開日2014-06-18
最終更新日2020-07-29
実験手法X-RAY DIFFRACTION (2.31 Å)
主引用文献Rational design of urea-based glutamate carboxypeptidase II (GCPII) inhibitors as versatile tools for specific drug targeting and delivery.
Bioorg.Med.Chem., 22, 2014
4X3R
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BU of 4x3r by Molmil
Avi-GCPII structure in complex with FITC-conjugated GCPII-specific inhibitor
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, ...
著者Tykvart, J, Konvalinka, J.
登録日2014-12-01
公開日2015-10-14
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.86 Å)
主引用文献Design of highly potent urea-based, exosite-binding inhibitors selective for glutamate carboxypeptidase II.
J.Med.Chem., 58, 2015
4U7Q
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BU of 4u7q by Molmil
Structure of wild-type HIV protease in complex with photosensitive inhibitor PDI-6
分子名称: N~2~-({[7-(diethylamino)-2-oxo-2H-chromen-4-yl]methoxy}carbonyl)-N-[(2S,4S,5S)-4-hydroxy-1,6-diphenyl-5-{[(1,3-thiazol-5-ylmethoxy)carbonyl]amino}hexan-2-yl]-L-valinamide, V-1 protease
著者Pachl, P, Rezacova, P, Schimer, J.
登録日2014-07-31
公開日2015-03-25
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Triggering HIV polyprotein processing by light using rapid photodegradation of a tight-binding protease inhibitor.
Nat Commun, 6, 2015
4U7V
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BU of 4u7v by Molmil
Structure of wild-type HIV protease in complex with degraded photosensitive inhibitor
分子名称: BETA-MERCAPTOETHANOL, N-[(2S,4S,5S)-4-hydroxy-1,6-diphenyl-5-{[(1,3-thiazol-5-ylmethoxy)carbonyl]amino}hexan-2-yl]-L-valinamide, V-1 protease
著者Pachl, P, Rezacova, P, Schimer, J.
登録日2014-07-31
公開日2015-03-25
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (1.38 Å)
主引用文献Triggering HIV polyprotein processing by light using rapid photodegradation of a tight-binding protease inhibitor.
Nat Commun, 6, 2015
6S03
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BU of 6s03 by Molmil
Carbonic Anhydrase CAIX mimic in complex with inhibitor I39LT379
分子名称: 4-[[4-[5,5-dimethyl-2-(6-methylpyridin-2-yl)-4,6-dihydropyrrolo[1,2-b]pyrazol-3-yl]pyridin-2-yl]amino]benzenesulfonamide, Carbonic anhydrase 2, ZINC ION
著者Kugler, M, Brynda, J, Rezacova, P.
登録日2019-06-13
公開日2020-06-03
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.38 Å)
主引用文献Identification of Novel Carbonic Anhydrase IX Inhibitors Using High-Throughput Screening of Pooled Compound Libraries by DNA-Linked Inhibitor Antibody Assay (DIANA).
SLAS Discov, 25, 2020
6RZX
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BU of 6rzx by Molmil
Carbonic Anhydrase CAIX mimic in complex with inhibitor FBSA
分子名称: 1,1,2,2,3,3,4,4,4-nonakis(fluoranyl)butane-1-sulfonamide, Carbonic anhydrase 2, ZINC ION
著者Kugler, M, Brynda, J, Rezacova, P.
登録日2019-06-13
公開日2020-06-03
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1 Å)
主引用文献Identification of Novel Carbonic Anhydrase IX Inhibitors Using High-Throughput Screening of Pooled Compound Libraries by DNA-Linked Inhibitor Antibody Assay (DIANA).
SLAS Discov, 25, 2020
5K57
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BU of 5k57 by Molmil
HDD domain from human Ddi2
分子名称: Protein DDI1 homolog 2
著者Veverka, V.
登録日2016-05-23
公開日2016-08-10
最終更新日2023-06-14
実験手法SOLUTION NMR
主引用文献Human DNA-Damage-Inducible 2 Protein Is Structurally and Functionally Distinct from Its Yeast Ortholog.
Sci Rep, 6, 2016
4NGN
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BU of 4ngn by Molmil
Crystal Structure of Glutamate Carboxypeptidase II in a complex with urea-based inhibitor
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, ...
著者Tykvart, J, Pachl, P.
登録日2013-11-02
公開日2014-06-18
最終更新日2020-07-29
実験手法X-RAY DIFFRACTION (1.64 Å)
主引用文献Rational design of urea-based glutamate carboxypeptidase II (GCPII) inhibitors as versatile tools for specific drug targeting and delivery.
Bioorg.Med.Chem., 22, 2014
4NGQ
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BU of 4ngq by Molmil
Crystal Structure of Glutamate Carboxypeptidase II in a complex with urea-based inhibitor
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, ...
著者Tykvart, J, Pachl, P.
登録日2013-11-02
公開日2014-06-18
最終更新日2020-07-29
実験手法X-RAY DIFFRACTION (2.08 Å)
主引用文献Rational design of urea-based glutamate carboxypeptidase II (GCPII) inhibitors as versatile tools for specific drug targeting and delivery.
Bioorg.Med.Chem., 22, 2014
4NGP
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BU of 4ngp by Molmil
Crystal Structure of Glutamate Carboxypeptidase II in a complex with urea-based inhibitor
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, ...
著者Tykvart, J, Pachl, P.
登録日2013-11-02
公開日2014-06-18
最終更新日2020-07-29
実験手法X-RAY DIFFRACTION (1.63 Å)
主引用文献Rational design of urea-based glutamate carboxypeptidase II (GCPII) inhibitors as versatile tools for specific drug targeting and delivery.
Bioorg.Med.Chem., 22, 2014
2N7D
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BU of 2n7d by Molmil
Solution structure of the UBL domain of human Ddi2
分子名称: Protein DDI1 homolog 2
著者Siva, M, Grantz Saskova, K, Veverka, V.
登録日2015-09-08
公開日2016-07-20
最終更新日2024-05-15
実験手法SOLUTION NMR
主引用文献Human DNA-Damage-Inducible 2 Protein Is Structurally and Functionally Distinct from Its Yeast Ortholog.
Sci Rep, 6, 2016
6G02
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BU of 6g02 by Molmil
Complex of neuraminidase from H1N1 influenza virus with tamiphosphor omega-azidohexyl ester
分子名称: 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, 6-[[(3~{R},4~{R},5~{S})-4-acetamido-5-azanyl-3-pentan-3-yloxy-cyclohexen-1-yl]-oxidanyl-phosphoryl]oxyhexylimino-azanylidene-azanium, ...
著者Pachl, P, Pokorna, J.
登録日2018-03-15
公開日2019-01-23
最終更新日2020-07-29
実験手法X-RAY DIFFRACTION (1.84 Å)
主引用文献DNA-linked inhibitor antibody assay (DIANA) as a new method for screening influenza neuraminidase inhibitors.
Biochem. J., 475, 2018
6GXB
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BU of 6gxb by Molmil
Carbonic Anhydrase CAIX mimic in complex with inhibitor JS13
分子名称: Carbonic anhydrase 2, ZINC ION, ~{N}-[4-[4-[(4-sulfamoylphenyl)carbamoylamino]phenoxy]butyl]ethanamide
著者Brynda, J, Rezacova, P, Pospisilova, K.
登録日2018-06-27
公開日2019-05-08
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.35 Å)
主引用文献Inhibitor-Polymer Conjugates as a Versatile Tool for Detection and Visualization of Cancer-Associated Carbonic Anhydrase Isoforms
Acs Omega, 4, 2019
6GXE
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BU of 6gxe by Molmil
Carbonic Anhydrase CAIX mimic in complex with inhibitor JS14
分子名称: 3-[2-[2-[2-[2-(aminomethyloxy)ethoxy]ethoxy]ethoxy]ethoxy]-~{N}-[4-[4-[(4-sulfamoylphenyl)carbamoylamino]phenoxy]butyl]propanamide, Carbonic anhydrase 2, DIMETHYL SULFOXIDE, ...
著者Brynda, J, Rezacova, P, Pospisilova, K.
登録日2018-06-27
公開日2019-05-08
最終更新日2024-05-15
実験手法X-RAY DIFFRACTION (1.3 Å)
主引用文献Inhibitor-Polymer Conjugates as a Versatile Tool for Detection and Visualization of Cancer-Associated Carbonic Anhydrase Isoforms
Acs Omega, 2019
6G01
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BU of 6g01 by Molmil
Complex of neuraminidase from H1N1 influenza virus with tamiphosphor monomethyl ester
分子名称: 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ...
著者Pachl, P, Pokorna, J.
登録日2018-03-15
公開日2019-01-23
最終更新日2020-07-29
実験手法X-RAY DIFFRACTION (1.61 Å)
主引用文献DNA-linked inhibitor antibody assay (DIANA) as a new method for screening influenza neuraminidase inhibitors.
Biochem. J., 475, 2018
4MCR
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BU of 4mcr by Molmil
A high resolution structure of human glutamate carboxypeptidase II (GCPII) in complex with folyltri-gamma-L-glutamic acid (pteroyltetra-gamma-L-glutamic acid)
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, ...
著者Navratil, M, Barinka, C, Lubkowski, J.
登録日2013-08-21
公開日2014-06-18
最終更新日2020-07-29
実験手法X-RAY DIFFRACTION (1.65 Å)
主引用文献Structural and biochemical characterization of the folyl-poly-gamma-l-glutamate hydrolyzing activity of human glutamate carboxypeptidase II.
Febs J., 281, 2014

 

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