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1QUR
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HUMAN ALPHA-THROMBIN IN COMPLEX WITH BIVALENT, BENZAMIDINE-BASED SYNTHETIC INHIBITOR
分子名称: BIVALENT INHIBITOR (BZA-2 HIRULOG), HUMAN THROMBIN (ALPHA CHAIN), HUMAN THROMBIN (BETA CHAIN)
著者Renatus, M, Steinmetzer, T.
登録日1999-07-02
公開日1999-10-14
最終更新日2024-10-30
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Design and evaluation of novel bivalent thrombin inhibitors based on amidinophenylalanines.
Eur.J.Biochem., 265, 1999
7NE4
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E125A mutant of oligopeptidase B from S. proteomaculans with modified hinge region
分子名称: Oligopeptidase B, SPERMINE
著者Petrenko, D.E, Nikolaeva, A.Y, Lazarenko, V.A, Dorovatovskiy, P.V, Vlaskina, A.V, Mikhailova, A.G, Rakitina, T.V, Timofeev, V.I.
登録日2021-02-03
公開日2021-03-03
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (2.717 Å)
主引用文献First Crystal Structure of Bacterial Oligopeptidase B in an Intermediate State: The Roles of the Hinge Region Modification and Spermine.
Biology (Basel), 10, 2021
7NE5
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catalytically non active S532A mutant of oligopeptidase B from S. proteomaculans with modified hinge region
分子名称: Oligopeptidase B, SPERMINE
著者Petrenko, D.E, Nikolaeva, A.Y, Lazarenko, V.A, Dorovatovskiy, P.V, Vlaskina, A.V, Mikhailova, A.G, Rakitina, T.V, Timofeev, V.I.
登録日2021-02-03
公開日2021-03-31
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.88 Å)
主引用文献First Crystal Structure of Bacterial Oligopeptidase B in an Intermediate State: The Roles of the Hinge Region Modification and Spermine.
Biology (Basel), 10, 2021
7OB1
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OLIGOPEPTIDASE B FROM S. PROTEOMACULANS WITH MODIFIED HINGE
分子名称: Oligopeptidase B, SPERMINE
著者Petrenko, D.E, Nikolaeva, A.Y, Lazarenko, V.A, Dorovatovskiy, P.V, Vlaskina, A.V, Korzhenevskiy, D.A, Mikhailova, A.G, Rakitina, T.V, Timofeev, V.I.
登録日2021-04-20
公開日2021-05-19
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献First Crystal Structure of Bacterial Oligopeptidase B in an Intermediate State: The Roles of the Hinge Region Modification and Spermine.
Biology (Basel), 10, 2021
7SGJ
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BU of 7sgj by Molmil
Crystal Structure of Danio rerio Histone Deacetylase 10 in Complex with DKFZ-711
分子名称: 1,2-ETHANEDIOL, 4-[(3-anilino-3-oxopropyl)(methyl)amino]-N-hydroxybutanamide, DI(HYDROXYETHYL)ETHER, ...
著者Herbst-Gervasoni, C.J, Christianson, D.W.
登録日2021-10-05
公開日2022-10-05
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.15 Å)
主引用文献Aza-SAHA Derivatives Are Selective Histone Deacetylase 10 Chemical Probes That Inhibit Polyamine Deacetylation and Phenocopy HDAC10 Knockout.
J.Am.Chem.Soc., 144, 2022
7SGI
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BU of 7sgi by Molmil
Crystal Structure of Danio rerio Histone Deacetylase 10 in Complex with Inhibitor 14
分子名称: 5-[(2-anilino-2-oxoethyl)(methyl)amino]-N-hydroxypentanamide, PHOSPHATE ION, POTASSIUM ION, ...
著者Herbst-Gervasoni, C.J, Christianson, D.W.
登録日2021-10-05
公開日2022-10-05
最終更新日2024-11-06
実験手法X-RAY DIFFRACTION (2.15 Å)
主引用文献Aza-SAHA Derivatives Are Selective Histone Deacetylase 10 Chemical Probes That Inhibit Polyamine Deacetylation and Phenocopy HDAC10 Knockout.
J.Am.Chem.Soc., 144, 2022
7SGG
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Crystal Structure of Danio rerio Histone Deacetylase 10 in Complex with SAHA
分子名称: DI(HYDROXYETHYL)ETHER, OCTANEDIOIC ACID HYDROXYAMIDE PHENYLAMIDE, PHOSPHATE ION, ...
著者Herbst-Gervasoni, C.J, Christianson, D.W.
登録日2021-10-05
公開日2022-10-05
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Aza-SAHA Derivatives Are Selective Histone Deacetylase 10 Chemical Probes That Inhibit Polyamine Deacetylation and Phenocopy HDAC10 Knockout.
J.Am.Chem.Soc., 144, 2022
7SGK
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Crystal Structure of Danio rerio Histone Deacetylase 10 in Complex with DKFZ-728
分子名称: N-(2-{[4-(hydroxyamino)-4-oxobutyl](methyl)amino}ethyl)benzamide, PHOSPHATE ION, POTASSIUM ION, ...
著者Herbst-Gervasoni, C.J, Christianson, D.W.
登録日2021-10-05
公開日2022-10-05
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Aza-SAHA Derivatives Are Selective Histone Deacetylase 10 Chemical Probes That Inhibit Polyamine Deacetylation and Phenocopy HDAC10 Knockout.
J.Am.Chem.Soc., 144, 2022
7S3V
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BU of 7s3v by Molmil
Structure of HsKYNase_66, an evolved variant of human kynureninase with greatly increased activity towards kynurenine
分子名称: Kynureninase
著者Burkholder, N.T, Zhang, Y.J.
登録日2021-09-08
公開日2022-12-21
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (3.249 Å)
主引用文献Bypassing evolutionary dead ends and switching the rate-limiting step of a human immunotherapeutic enzyme.
Nat Catal, 5, 2022
1IAU
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HUMAN GRANZYME B IN COMPLEX WITH AC-IEPD-CHO
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[beta-D-mannopyranose-(1-6)]alpha-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, GRANZYME B, ...
著者Rotonda, J, Garcia-Calvo, M, Bull, H.G, Geissler, W.M, McKeever, B.M, Willoughby, C.A, Thornberry, N.A, Becker, J.W.
登録日2001-03-23
公開日2001-05-02
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献The three-dimensional structure of human granzyme B compared to caspase-3, key mediators of cell death with cleavage specificity for aspartic acid in P1.
Chem.Biol., 8, 2001
4JSQ
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Yeast 20S proteasome in complex with the dimerized linear mimetic of TMC-95A - yCP:4e
分子名称: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, Probable proteasome subunit alpha type-7, Proteasome subunit alpha type-1, ...
著者Desvergne, A, Genin, E, Marechal, X, Gallastegui, N, Dufau, L, Richy, N, Groll, M, Vidal, J, Reboud-Ravaux, M.
登録日2013-03-22
公開日2013-05-01
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Dimerized linear mimics of a natural cyclopeptide (TMC-95A) are potent noncovalent inhibitors of the eukaryotic 20S proteasome
J.Med.Chem., 56, 2013
4JT0
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BU of 4jt0 by Molmil
Yeast 20S proteasome in complex with the dimerized linear mimetic of TMC-95A - yCP:4a
分子名称: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, Probable proteasome subunit alpha type-7, Proteasome subunit alpha type-1, ...
著者Desvergne, A, Genin, E, Marechal, X, Gallastegui, N, Dufau, L, Richy, N, Groll, M, Vidal, J, Reboud-Ravaux, M.
登録日2013-03-22
公開日2013-05-01
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (3.1 Å)
主引用文献Dimerized linear mimics of a natural cyclopeptide (TMC-95A) are potent noncovalent inhibitors of the eukaryotic 20S proteasome.
J.Med.Chem., 56, 2013
1HIA
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KALLIKREIN COMPLEXED WITH HIRUSTASIN
分子名称: HIRUSTASIN, KALLIKREIN
著者Mittl, P, Di Marco, S, Gruetter, M.
登録日1996-12-12
公開日1997-12-24
最終更新日2024-10-23
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献A new structural class of serine protease inhibitors revealed by the structure of the hirustasin-kallikrein complex.
Structure, 5, 1997
4JSU
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Yeast 20S proteasome in complex with the dimerized linear mimetic of TMC-95A - yCP:3a
分子名称: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, Probable proteasome subunit alpha type-7, Proteasome subunit alpha type-1, ...
著者Desvergne, A, Genin, E, Marechal, X, Gallastegui, N, Dufau, L, Richy, N, Groll, M, Vidal, J, Reboud-Ravaux, M.
登録日2013-03-22
公開日2013-05-01
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (2.9 Å)
主引用文献Dimerized linear mimics of a natural cyclopeptide (TMC-95A) are potent noncovalent inhibitors of the eukaryotic 20S proteasome
J.Med.Chem., 56, 2013
1QIX
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BU of 1qix by Molmil
Porcine pancreatic elastase complexed with human beta-casomorphin-7
分子名称: BETA-CASOMORPHIN-7, CALCIUM ION, ELASTASE, ...
著者Wilmouth, R.C, Clifton, I.J, Hajdu, J, Schofield, C.J.
登録日1999-06-18
公開日1999-12-14
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Structure of a Specific Acyl-Enzyme Complex Formed between Beta-Casomorphin-7 and Porcine Pancreatic Elastase
Nat.Struct.Biol., 4, 1997
6XHZ
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BU of 6xhz by Molmil
Alpha-lytic protease homolog N4
分子名称: N4: hypothetical protein, SULFATE ION
著者Nixon, C.F, Marqusee, S.M, Gee, C.L.
登録日2020-06-19
公開日2021-01-20
最終更新日2024-10-23
実験手法X-RAY DIFFRACTION (1.25 Å)
主引用文献Exploring the Evolutionary History of Kinetic Stability in the alpha-Lytic Protease Family.
Biochemistry, 60, 2021
6Y3B
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BU of 6y3b by Molmil
Crystal Structure of Unlinked NS2B-NS3 Protease from Zika Virus in Complex with Inhibitor MI-2110
分子名称: 1-[(8~{R},15~{S},18~{S})-15,18-bis(4-azanylbutyl)-4,7,14,17,20-pentakis(oxidanylidene)-3,6,13,16,19-pentazabicyclo[20.3.1]hexacosa-1(25),22(26),23-trien-8-yl]guanidine, GLYCEROL, Genome polyprotein, ...
著者Huber, S, Heine, A, Steinmetzer, T.
登録日2020-02-18
公開日2020-07-08
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.59 Å)
主引用文献Structure-Based Macrocyclization of Substrate Analogue NS2B-NS3 Protease Inhibitors of Zika, West Nile and Dengue viruses.
Chemmedchem, 15, 2020
4Z8N
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BU of 4z8n by Molmil
Crystal structure of the erythrocyte-binding domain from Plasmodium vivax reticulocyte-binding protein 2a (PvRBP2a)
分子名称: CALCIUM ION, CHLORIDE ION, DI(HYDROXYETHYL)ETHER, ...
著者Gruszczyk, J, Tham, W.H.
登録日2015-04-09
公開日2015-12-16
最終更新日2024-10-09
実験手法X-RAY DIFFRACTION (2.124 Å)
主引用文献Structurally conserved erythrocyte-binding domain in Plasmodium provides a versatile scaffold for alternate receptor engagement.
Proc.Natl.Acad.Sci.USA, 113, 2016
8OYH
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X-ray structure of furin (PCSK3) in complex with Guanidinomethyl-Phac-Can-Tle-Can-6-(aminomethyl)-3-amino-isoindol
分子名称: CALCIUM ION, CHLORIDE ION, DIMETHYL SULFOXIDE, ...
著者Dahms, S.O, Brandstetter, H.
登録日2023-05-04
公開日2024-03-13
最終更新日2024-05-15
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Fragment-Based Design, Synthesis, and Characterization of Aminoisoindole-Derived Furin Inhibitors.
Chemmedchem, 19, 2024
2XW9
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BU of 2xw9 by Molmil
Crystal Structure of Complement Factor D mutant S183A
分子名称: COMPLEMENT FACTOR D, GLYCEROL
著者Forneris, F, Ricklin, D, Wu, J, Tzekou, A, Wallace, R.S, Lambris, J.D, Gros, P.
登録日2010-11-01
公開日2011-01-12
最終更新日2024-11-06
実験手法X-RAY DIFFRACTION (1.2 Å)
主引用文献Structures of C3B in Complex with Factors B and D Give Insight Into Complement Convertase Formation.
Science, 330, 2010
5A53
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Crystal Structure of the Rpf2-Rrs1 complex
分子名称: REGULATOR OF RIBOSOME BIOSYNTHESIS, RIBOSOME BIOGENESIS PROTEIN RPF2, SULFATE ION
著者Madru, C, Lebaron, S, Blaud, M, Delbos, L, Rety, S, Leulliot, N.
登録日2015-06-16
公開日2015-10-21
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (2.401 Å)
主引用文献Chaperoning 5S RNA Assembly.
Genes Dev., 29, 2015
7Q8I
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BU of 7q8i by Molmil
Peptide AVAEKQ in complex with human cathepsin V C25S mutant
分子名称: (4S)-2-METHYL-2,4-PENTANEDIOL, AVAEKQ peptide, CHLORIDE ION, ...
著者Loboda, J, Sosnowski, P, Tusar, L, Vidmar, R, Vizovisek, M, Horvat, J, Kosec, G, Impens, F, Demol, H, Turk, B, Gevaert, K, Turk, D.
登録日2021-11-11
公開日2022-11-23
最終更新日2024-11-06
実験手法X-RAY DIFFRACTION (1.59 Å)
主引用文献Proteomic data and structure analysis combined reveal interplay of structural rigidity and flexibility on selectivity of cysteine cathepsins.
Commun Biol, 6, 2023
7Q8O
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Peptide LLSGKE in complex with human cathepsin V C25S mutant
分子名称: (4S)-2-METHYL-2,4-PENTANEDIOL, CHLORIDE ION, Cathepsin L2, ...
著者Loboda, J, Sosnowski, P, Tusar, L, Vidmar, R, Vizovisek, M, Horvat, J, Kosec, G, Impens, F, Demol, H, Turk, B, Gevaert, K, Turk, D.
登録日2021-11-11
公開日2022-11-23
最終更新日2024-10-16
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Proteomic data and structure analysis combined reveal interplay of structural rigidity and flexibility on selectivity of cysteine cathepsins.
Commun Biol, 6, 2023
7Q8H
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Peptide EVCKKKK in complex with human cathepsin V C25A mutant
分子名称: (4S)-2-METHYL-2,4-PENTANEDIOL, CHLORIDE ION, Cathepsin L2, ...
著者Loboda, J, Sosnowski, P, Tusar, L, Vidmar, R, Vizovisek, M, Horvat, J, Kosec, G, Impens, F, Demol, H, Turk, B, Gevaert, K, Turk, D.
登録日2021-11-11
公開日2022-11-23
最終更新日2024-10-16
実験手法X-RAY DIFFRACTION (1.75 Å)
主引用文献Proteomic data and structure analysis combined reveal interplay of structural rigidity and flexibility on selectivity of cysteine cathepsins.
Commun Biol, 6, 2023
7Q9H
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Peptide LLKAVAEKQ in complex with human cathepsin V C25A mutant
分子名称: (4S)-2-METHYL-2,4-PENTANEDIOL, CHLORIDE ION, Cathepsin L2, ...
著者Loboda, J, Sosnowski, P, Tusar, L, Vidmar, R, Vizovisek, M, Horvat, J, Kosec, G, Impens, F, Demol, H, Turk, B, Gevaert, K, Turk, D.
登録日2021-11-12
公開日2022-11-23
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (1.4 Å)
主引用文献Proteomic data and structure analysis combined reveal interplay of structural rigidity and flexibility on selectivity of cysteine cathepsins.
Commun Biol, 6, 2023

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