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5OJN
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BU of 5ojn by Molmil
Sirtuin 4 from Xenopus tropicalis in complex with thioacetyl-ADP-ribose
分子名称: NAD-dependent protein deacylase, ZINC ION, thioacetyl-ADP-ribose
著者Pannek, M, Steegborn, C.
登録日2017-07-22
公開日2017-11-29
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Crystal structures of the mitochondrial deacylase Sirtuin 4 reveal isoform-specific acyl recognition and regulation features.
Nat Commun, 8, 2017
3JY9
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BU of 3jy9 by Molmil
Janus Kinase 2 Inhibitors
分子名称: (3S)-3-(4-hydroxyphenyl)-1,5-dihydro-1,5,12-triazabenzo[4,5]cycloocta[1,2,3-cd]inden-4(3H)-one, SODIUM ION, Tyrosine-protein kinase JAK2
著者Zuccola, H.J, Ledeboer, M.W, Pierce, A.C.
登録日2009-09-21
公開日2009-12-01
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Janus kinase 2 inhibitors. Synthesis and characterization of a novel polycyclic azaindole.
J.Med.Chem., 52, 2009
8BBK
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BU of 8bbk by Molmil
Crystal structure of human Sirt3 in complex with a fragment of the human AROS protein
分子名称: Active regulator of SIRT1, NAD-dependent protein deacetylase sirtuin-3, mitochondrial, ...
著者Steegborn, C, Weiss, S.
登録日2022-10-13
公開日2023-08-30
実験手法X-RAY DIFFRACTION (3.27 Å)
主引用文献Molecular Mechanism of Sirtuin 1 Modulation by the AROS Protein.
Int J Mol Sci, 23, 2022
6SNL
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BU of 6snl by Molmil
(R)-selective amine transaminase from Exophiala sideris
分子名称: CHLORIDE ION, GLYCEROL, HEXAETHYLENE GLYCOL, ...
著者Telzerow, A, Hakansson, M, Steiner, K.
登録日2019-08-26
公開日2020-12-09
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (3.129 Å)
主引用文献Expanding the Toolbox of R-Selective Amine Transaminases by Identification and Characterization of New Members.
Chembiochem, 22, 2021
2OY4
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BU of 2oy4 by Molmil
Uninhibited human MMP-8
分子名称: CALCIUM ION, Neutrophil collagenase, ZINC ION
著者Calderone, V, Bertini, I, Fragai, M, Luchinat, C, Maletta, M, Yeo, K.J.
登録日2007-02-21
公開日2007-03-06
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Snapshots of the reaction mechanism of matrix metalloproteinases.
ANGEW.CHEM.INT.ED.ENGL., 45, 2006
7QYQ
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BU of 7qyq by Molmil
Crystal structure of a DyP-type peroxidase from Pseudomonas putida
分子名称: Dyp-type peroxidase family protein, PROTOPORPHYRIN IX CONTAINING FE
著者Borges, P.T, Silva, D, Frazao, C, Martins, L.O.
登録日2022-01-28
公開日2022-08-03
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (2.599 Å)
主引用文献Unveiling molecular details behind improved activity at neutral to alkaline pH of an engineered DyP-type peroxidase.
Comput Struct Biotechnol J, 20, 2022
4G27
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BU of 4g27 by Molmil
Calcium-calmodulin complexed with the calmodulin binding domain from a small conductance potassium channel splice variant and phenylurea
分子名称: 1-phenylurea, CALCIUM ION, Calmodulin, ...
著者Zhang, M, Pascal, J.M, Zhang, J.-F.
登録日2012-07-11
公開日2012-09-12
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.65 Å)
主引用文献Identification of the functional binding pocket for compounds targeting small-conductance Ca(2+)-activated potassium channels.
Nat Commun, 3, 2012
7QZA
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BU of 7qza by Molmil
Crystal structure of a DyP-type peroxidase 29E4 variant from Pseudomonas putida
分子名称: Dyp-type peroxidase family protein, PROTOPORPHYRIN IX CONTAINING FE
著者Borges, P.T, Silva, D, Frazao, C, Martins, L.O.
登録日2022-01-30
公開日2022-08-03
最終更新日2024-05-01
実験手法X-RAY DIFFRACTION (2.698 Å)
主引用文献Unveiling molecular details behind improved activity at neutral to alkaline pH of an engineered DyP-type peroxidase.
Comput Struct Biotechnol J, 20, 2022
7QYZ
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BU of 7qyz by Molmil
Crystal structure of a DyP-type peroxidase 6E10 variant from Pseudomonas putida
分子名称: Dyp-type peroxidase family protein, PROTOPORPHYRIN IX CONTAINING FE
著者Borges, P.T, Silva, D, Martins, L.O, Frazao, C.
登録日2022-01-30
公開日2022-08-03
最終更新日2024-05-01
実験手法X-RAY DIFFRACTION (2.452 Å)
主引用文献Unveiling molecular details behind improved activity at neutral to alkaline pH of an engineered DyP-type peroxidase.
Comput Struct Biotechnol J, 20, 2022
4G28
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BU of 4g28 by Molmil
Calcium-calmodulin complexed with the calmodulin binding domain from a small conductance potassium channel splice variant and EBIO-1
分子名称: 1-ethyl-1,3-dihydro-2H-benzimidazol-2-one, CALCIUM ION, Calmodulin, ...
著者Zhang, M, Pascal, J.M, Zhang, J.-F.
登録日2012-07-11
公開日2012-09-12
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.63 Å)
主引用文献Identification of the functional binding pocket for compounds targeting small-conductance Ca(2+)-activated potassium channels.
Nat Commun, 3, 2012
8G0G
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BU of 8g0g by Molmil
Crystal structure of diphtheria toxin H223Q/H257Q double mutant (pH 4.5)
分子名称: ADENYLYL-3'-5'-PHOSPHO-URIDINE-3'-MONOPHOSPHATE, Diphtheria toxin
著者Lovell, S, Kashipathy, M.M, Battaile, K.P, Ladokhin, A.S.
登録日2023-01-31
公開日2023-07-05
最終更新日2023-08-09
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Histidine Protonation and Conformational Switching in Diphtheria Toxin Translocation Domain.
Toxins, 15, 2023
5NRY
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BU of 5nry by Molmil
Cys-Gly dipeptidase GliJ in complex with Fe3+
分子名称: CHLORIDE ION, Dipeptidase gliJ, FE (III) ION
著者Groll, M, Huber, E.M.
登録日2017-04-25
公開日2017-05-31
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献Gliotoxin Biosynthesis: Structure, Mechanism, and Metal Promiscuity of Carboxypeptidase GliJ.
ACS Chem. Biol., 12, 2017
6OLU
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BU of 6olu by Molmil
RIAM RA-PH core structure in the P212121 space group
分子名称: Amyloid beta A4 precursor protein-binding family B member 1-interacting protein
著者Wu, J.
登録日2019-04-17
公開日2020-04-22
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Phosphorylation of RIAM by src promotes integrin activation by unmasking the PH domain of RIAM.
Structure, 29, 2021
6O6H
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BU of 6o6h by Molmil
RIAM cc-RA-PH structure in the P21212 space group
分子名称: Amyloid beta A4 precursor protein-binding family B member 1-interacting protein
著者Wu, J.
登録日2019-03-06
公開日2020-09-02
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Phosphorylation of RIAM by Src Promotes Integrin Activation by Unmasking the PH Domain of RIAM.
Structure, 2020
5NRT
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BU of 5nrt by Molmil
Cys-Gly dipeptidase GliJ in complex with Ca2+
分子名称: CALCIUM ION, Dipeptidase gliJ, MAGNESIUM ION
著者Groll, M, Huber, E.M.
登録日2017-04-25
公開日2017-05-31
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Gliotoxin Biosynthesis: Structure, Mechanism, and Metal Promiscuity of Carboxypeptidase GliJ.
ACS Chem. Biol., 12, 2017
5NS5
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BU of 5ns5 by Molmil
Cys-Gly dipeptidase GliJ in complex with Cu2+ and Zn2+
分子名称: CHLORIDE ION, COPPER (II) ION, Dipeptidase gliJ, ...
著者Groll, M, Huber, E.M.
登録日2017-04-25
公開日2017-05-31
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Gliotoxin Biosynthesis: Structure, Mechanism, and Metal Promiscuity of Carboxypeptidase GliJ.
ACS Chem. Biol., 12, 2017
8G0F
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BU of 8g0f by Molmil
Crystal structure of diphtheria toxin H223Q/H257Q double mutant (pH 5.5)
分子名称: Diphtheria toxin
著者Lovell, S, Kashipathy, M.M, Battaile, K.P, Ladokhin, A.S.
登録日2023-01-31
公開日2023-07-05
最終更新日2023-08-09
実験手法X-RAY DIFFRACTION (2.25 Å)
主引用文献Histidine Protonation and Conformational Switching in Diphtheria Toxin Translocation Domain.
Toxins, 15, 2023
5NRX
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BU of 5nrx by Molmil
Cys-Gly dipeptidase GliJ in complex with Fe2+
分子名称: CHLORIDE ION, Dipeptidase gliJ, FE (III) ION
著者Groll, M, Huber, E.M.
登録日2017-04-25
公開日2017-05-31
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (2.35 Å)
主引用文献Gliotoxin Biosynthesis: Structure, Mechanism, and Metal Promiscuity of Carboxypeptidase GliJ.
ACS Chem. Biol., 12, 2017
5NRZ
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BU of 5nrz by Molmil
Cys-Gly dipeptidase GliJ in complex with Mn2+
分子名称: CHLORIDE ION, Dipeptidase gliJ, GLYCEROL, ...
著者Groll, M, Huber, E.M.
登録日2017-04-25
公開日2017-05-31
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (2.05 Å)
主引用文献Gliotoxin Biosynthesis: Structure, Mechanism, and Metal Promiscuity of Carboxypeptidase GliJ.
ACS Chem. Biol., 12, 2017
5NS2
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BU of 5ns2 by Molmil
Cys-Gly dipeptidase GliJ in complex with Co2+
分子名称: CHLORIDE ION, COBALT (II) ION, Dipeptidase gliJ, ...
著者Groll, M, Huber, E.M.
登録日2017-04-25
公開日2017-05-31
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Gliotoxin Biosynthesis: Structure, Mechanism, and Metal Promiscuity of Carboxypeptidase GliJ.
ACS Chem. Biol., 12, 2017
5NS1
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BU of 5ns1 by Molmil
Cys-Gly dipeptidase GliJ in complex with Ni2+
分子名称: CHLORIDE ION, Dipeptidase gliJ, NICKEL (II) ION
著者Groll, M, Huber, E.M.
登録日2017-04-25
公開日2017-05-31
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Gliotoxin Biosynthesis: Structure, Mechanism, and Metal Promiscuity of Carboxypeptidase GliJ.
ACS Chem. Biol., 12, 2017
5NRU
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BU of 5nru by Molmil
Cys-Gly dipeptidase GliJ in complex with Zn2+
分子名称: CHLORIDE ION, Dipeptidase gliJ, ZINC ION
著者Groll, M, Huber, E.M.
登録日2017-04-25
公開日2017-05-31
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (2.15 Å)
主引用文献Gliotoxin Biosynthesis: Structure, Mechanism, and Metal Promiscuity of Carboxypeptidase GliJ.
ACS Chem. Biol., 12, 2017
4C4O
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BU of 4c4o by Molmil
Structure of carbonyl reductase CPCR2 from Candida parapsilosis in complex with NADH
分子名称: 1,2-ETHANEDIOL, CARBONYL REDUCTASE CPCR2, NICOTINAMIDE-ADENINE-DINUCLEOTIDE, ...
著者Man, H, Loderer, C, Ansorge-Schumacher, M, Grogan, G.
登録日2013-09-06
公開日2014-07-16
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (2.05 Å)
主引用文献Structure of Nadh-Dependent Carbonyl Reductase (Cpcr2) from Candida Parapsilosis Provides Insight Into Mutations that Improve Catalytic Properties
Chemcatchem, 6, 2014
3GMD
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BU of 3gmd by Molmil
Structure-based design of 7-Azaindole-pyrrolidines as inhibitors of 11beta-Hydroxysteroid-Dehydrogenase type I
分子名称: 2-methyl-3-{(3S)-1-[(1-pyridin-2-ylcyclopropyl)carbonyl]pyrrolidin-3-yl}-1H-pyrrolo[2,3-b]pyridine, Corticosteroid 11-beta-dehydrogenase isozyme 1, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, ...
著者Valeur, E, Lepifre, F, Roche, D, Christmann-Franck, S, Hillertz, P, Musil, D.
登録日2009-03-13
公開日2010-11-17
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (2.28 Å)
主引用文献Structure-based design of 7-azaindole-pyrrolidine amides as inhibitors of 11 beta-hydroxysteroid dehydrogenase type I.
Bioorg.Med.Chem.Lett., 22, 2012
4BUO
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BU of 4buo by Molmil
High Resolution Structure of Thermostable Agonist-bound Neurotensin Receptor 1 Mutant without Lysozyme Fusion
分子名称: GLYCINE, NEUROTENSIN RECEPTOR TYPE 1, NEUROTENSIN/NEUROMEDIN N
著者Egloff, P, Hillenbrand, M, Schlinkmann, K.M, Batyuk, A, Mittl, P, Plueckthun, A.
登録日2013-06-21
公開日2014-01-29
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (2.75 Å)
主引用文献Structure of Signaling-Competent Neurotensin Receptor 1 Obtained by Directed Evolution in Escherichia Coli
Proc.Natl.Acad.Sci.USA, 111, 2014

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