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1Q5M
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Binary complex of rabbit 20alpha-hydroxysteroid dehydrogenase with NADPH
Descriptor: NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, Prostaglandin-E2 9-reductase, SULFATE ION
Authors:Couture, J.F, Legrand, P, Cantin, L, Labrie, F, Luu-The, V, Breton, R.
Deposit date:2003-08-08
Release date:2004-05-18
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (1.32 Å)
Cite:Loop Relaxation, A Mechanism that Explains the Reduced Specificity of Rabbit 20alpha-Hydroxysteroid Dehydrogenase, A Member of the Aldo-Keto Reductase Superfamily.
J.Mol.Biol., 339, 2004
5XHS
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Crystal structure of SIRT5 complexed with a fluorogenic small-molecule substrate SuBKA
Descriptor: (2S)-2-azanyl-6-[(4-hydroxy-4-oxo-butanoyl)amino]hexanoic acid, 7-AMINO-4-METHYL-CHROMEN-2-ONE, NAD-dependent protein deacylase sirtuin-5, ...
Authors:Yu, Y, Li, B, Chen, Q.
Deposit date:2017-04-24
Release date:2018-05-02
Last modified:2024-03-27
Method:X-RAY DIFFRACTION (2.19 Å)
Cite:Interactions between sirtuins and fluorogenic small-molecule substrates offer insights into inhibitor design
Rsc Adv, 7, 2017
5XOR
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BU of 5xor by Molmil
Crystal structure of N-terminal replicase protein of porcine circovirus type 2
Descriptor: Rep protein
Authors:Song, Y, Peng, G.
Deposit date:2017-05-30
Release date:2018-07-04
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.699 Å)
Cite:Crystal Structure of the Dimerized N Terminus of Porcine Circovirus Type 2 Replicase Protein Reveals a Novel Antiviral Interface
J. Virol., 92, 2018
1QZ2
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Crystal Structure of FKBP52 C-terminal Domain complex with the C-terminal peptide MEEVD of Hsp90
Descriptor: 5-mer peptide from Heat shock protein HSP 90, FK506-binding protein 4
Authors:Wu, B, Li, P, Lou, Z, Liu, Y, Ding, Y, Shu, C, Shen, B, Rao, Z.
Deposit date:2003-09-15
Release date:2004-06-22
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (3 Å)
Cite:3D structure of human FK506-binding protein 52: Implications for the assembly of the glucocorticoid receptor/Hsp90/immunophilin heterocomplex.
Proc.Natl.Acad.Sci.USA, 101, 2004
1QKM
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HUMAN OESTROGEN RECEPTOR BETA LIGAND-BINDING DOMAIN IN COMPLEX WITH PARTIAL AGONIST GENISTEIN
Descriptor: ESTROGEN RECEPTOR BETA, GENISTEIN
Authors:Pike, A.C.W, Brzozowski, A.M, Carlquist, M.
Deposit date:1999-07-27
Release date:2000-07-28
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Structure of the Ligand-Binding Domain of Oestrogen Receptor Beta in the Presence of a Partial Agonist and a Full Antagonist
Embo J., 18, 1999
1R8S
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BU of 1r8s by Molmil
ARF1[DELTA1-17]-GDP IN COMPLEX WITH A SEC7 DOMAIN CARRYING THE MUTATION OF THE CATALYTIC GLUTAMATE TO LYSINE
Descriptor: ADP-ribosylation factor 1, Arno, BETA-MERCAPTOETHANOL, ...
Authors:Renault, L, Guibert, B, Cherfils, J.
Deposit date:2003-10-28
Release date:2004-01-20
Last modified:2023-08-23
Method:X-RAY DIFFRACTION (1.46 Å)
Cite:Structural snapshots of the mechanism and inhibition of a guanine nucleotide exchange factor
Nature, 426, 2003
2F38
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Crystal structure of prostaglandin F synathase containing bimatoprost
Descriptor: (5Z)-7-{(1R,2R,3R,5S)-3,5-DIHYDROXY-2-[(1E,3S)-3-HYDROXY-5-PHENYLPENT-1-ENYL]CYCLOPENTYL}-N-ETHYLHEPT-5-ENAMIDE, Aldo-keto reductase family 1 member C3, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE
Authors:Komoto, J, Yamada, T, Watanabe, K, Woodward, D.F, Takusagawa, F.
Deposit date:2005-11-18
Release date:2006-10-31
Last modified:2023-08-23
Method:X-RAY DIFFRACTION (2 Å)
Cite:Prostaglandin F2alpha formation from prostaglandin H2 by prostaglandin F synthase (PGFS): crystal structure of PGFS containing bimatoprost.
Biochemistry, 45, 2006
7D68
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BU of 7d68 by Molmil
Cryo-EM structure of the human glucagon-like peptide-2 receptor-Gs protein complex
Descriptor: Glucagon-like peptide 2 receptor, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, Guanine nucleotide-binding protein G(I)/G(S)/G(T) subunit beta-1, ...
Authors:Sun, W, Chen, L, Zhou, Q, Zhao, L, Zhang, H, Cong, Z, Shen, D, Zhao, F, Zhou, F, Cai, X, Chen, Y, Zhou, Y, Gadgaard, S, van der Velden, W.J, Zhao, S, Jiang, Y, Rosenkilde, M.M, Yang, D, Xu, H.E, Zhang, Y, Wang, M.
Deposit date:2020-09-29
Release date:2020-12-16
Method:ELECTRON MICROSCOPY (3 Å)
Cite:A unique hormonal recognition feature of the human glucagon-like peptide-2 receptor.
Cell Res., 30, 2020
7DOC
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BU of 7doc by Molmil
Crystal structure of Zika NS2B-NS3 protease with compound 5
Descriptor: 3-PYRIDIN-4-YL-2,4-DIHYDRO-INDENO[1,2-.C.]PYRAZOLE, Core protein, Genome polyprotein, ...
Authors:Quek, J.P.
Deposit date:2020-12-14
Release date:2021-04-14
Last modified:2024-07-10
Method:X-RAY DIFFRACTION (1.904 Å)
Cite:2-Cyanoisonicotinamide Conjugation: A Facile Approach to Generate Potent Peptide Inhibitors of the Zika Virus Protease.
Acs Med.Chem.Lett., 12, 2021
7DHW
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BU of 7dhw by Molmil
Crystal structure of myosin-XI motor domain in complex with ADP-ALF4
Descriptor: ADENOSINE-5'-DIPHOSPHATE, GLYCEROL, MAGNESIUM ION, ...
Authors:Suzuki, K, Haraguchi, T, Tamanaha, M, Yoshimura, K, Imi, T, Tominaga, M, Sakayama, H, Nishiyama, T, Ito, K, Murata, T.
Deposit date:2020-11-17
Release date:2021-05-19
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.84 Å)
Cite:Discovery of ultrafast myosin, its amino acid sequence, and structural features.
Proc.Natl.Acad.Sci.USA, 119, 2022
6RFT
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Crystal structure of Eis2 from Mycobacterium abscessus bound to Acetyl-CoA
Descriptor: ACETYL COENZYME *A, Uncharacterized N-acetyltransferase D2E36_21790
Authors:Blaise, M, Kremer, L, Olieric, V, Alsarraf, H, Ung, K.L.
Deposit date:2019-04-16
Release date:2019-07-10
Last modified:2019-11-13
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Crystal structure of the aminoglycosides N-acetyltransferase Eis2 from Mycobacterium abscessus.
Febs J., 286, 2019
6RFX
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BU of 6rfx by Molmil
Crystal structure of Eis2 from Mycobacterium abscessus
Descriptor: ACETATE ION, CITRIC ACID, Eis2, ...
Authors:Blaise, M, Kremer, L, Olieric, V, Alsarraf, H, Ung, K.L.
Deposit date:2019-04-16
Release date:2019-07-10
Last modified:2019-11-13
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Crystal structure of the aminoglycosides N-acetyltransferase Eis2 from Mycobacterium abscessus.
Febs J., 286, 2019
7DF8
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full length hNPC1L1-Apo
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Hu, M, Sun, S, Sui, S.
Deposit date:2020-11-06
Release date:2021-08-04
Method:ELECTRON MICROSCOPY (3.03 Å)
Cite:Structural insights into the mechanism of human NPC1L1-mediated cholesterol uptake.
Sci Adv, 7, 2021
7DFW
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Cryo_EM structure of delta N-NPC1L1-CLR
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-3)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Hu, M, Sun, S.
Deposit date:2020-11-10
Release date:2021-08-11
Method:ELECTRON MICROSCOPY (2.69 Å)
Cite:Structural insights into the mechanism of human NPC1L1-mediated cholesterol uptake.
Sci Adv, 7, 2021
7DFZ
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Cryo_EM structure of delta N-NPC1L1-EZE
Descriptor: (3~{R},4~{S})-1-(4-fluorophenyl)-3-[(3~{S})-3-(4-fluorophenyl)-3-oxidanyl-propyl]-4-(4-hydroxyphenyl)azetidin-2-one, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-3)-2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Hu, M, Sun, S.
Deposit date:2020-11-10
Release date:2021-08-11
Method:ELECTRON MICROSCOPY (3.58 Å)
Cite:Structural insights into the mechanism of human NPC1L1-mediated cholesterol uptake.
Sci Adv, 7, 2021
6S35
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BU of 6s35 by Molmil
LSD1/CoREST1 complex with macrocyclic peptide inhibitor
Descriptor: ALA-ARG-(D)LYS-MET-GLN-GLU-ALA-ARG-LYS-SER-THR, FLAVIN-ADENINE DINUCLEOTIDE, Lysine-specific histone demethylase 1A, ...
Authors:Talibov, V.O, Dobritzsch, D.
Deposit date:2019-06-24
Release date:2020-02-26
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (3.1 Å)
Cite:Macrocyclic Peptides Uncover a Novel Binding Mode for Reversible Inhibitors of LSD1.
Acs Omega, 5, 2020
6RFY
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BU of 6rfy by Molmil
Crystal structure of Eis2 form Mycobacterium abscessus
Descriptor: 2-[BIS-(2-HYDROXY-ETHYL)-AMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Eis2, SULFATE ION
Authors:Blaise, M, Kremer, L, Olieric, V, Alsarraf, H, Ung, K.L.
Deposit date:2019-04-16
Release date:2019-07-10
Last modified:2024-05-15
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Crystal structure of the aminoglycosides N-acetyltransferase Eis2 from Mycobacterium abscessus.
Febs J., 286, 2019
7DO4
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BU of 7do4 by Molmil
Crystal structure of CD97-CD55 complex
Descriptor: 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, ...
Authors:Niu, M, Song, G.
Deposit date:2020-12-11
Release date:2021-09-22
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (3.2 Å)
Cite:Structural basis for CD97 recognition of the decay-accelerating factor CD55 suggests mechanosensitive activation of adhesion GPCRs.
J.Biol.Chem., 296, 2021
6RFP
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BU of 6rfp by Molmil
ERK2 MAP kinase with mutations at Helix-G
Descriptor: Mitogen-activated protein kinase 1
Authors:Livnah, O, Eitan-Wexler, M.
Deposit date:2019-04-16
Release date:2020-05-13
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.74 Å)
Cite:The bacterial metalloprotease NleD selectively cleaves mitogen-activated protein kinases that have high flexibility in their activation loop.
J.Biol.Chem., 295, 2020
4DZ5
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BU of 4dz5 by Molmil
W227F active site mutant of AKR1C3
Descriptor: 1,2-ETHANEDIOL, ACETATE ION, Aldo-keto reductase family 1 member C3, ...
Authors:Squire, C.J, Yosaatmadja, Y, Flanagan, J.U.
Deposit date:2012-02-29
Release date:2013-03-06
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Validating PR-104A binding to AKR1C3
To be Published
4FAM
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Crystal structure of human 17beta-hydroxysteroid dehydrogenase type 5 in complex with 3-((3,4-dihydroisoquinolin-2(1H)-yl)sulfonyl)benzoic acid (17)
Descriptor: 1,2-ETHANEDIOL, 3-(3,4-dihydroisoquinolin-2(1H)-ylsulfonyl)benzoic acid, Aldo-keto reductase family 1 member C3, ...
Authors:Turnbull, A.P, Jamieson, S.M.F, Brooke, D.G, Heinrich, D, Atwell, G.J, Silva, S, Hamilton, E.J, Rigoreau, L.J.M, Trivier, E, Soudy, C, Samlal, S.S, Owen, P.J, Schroeder, E, Raynham, T, Flanagan, J.U, Denny, W.A.
Deposit date:2012-05-22
Release date:2012-10-10
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (2 Å)
Cite:3-(3,4-Dihydroisoquinolin-2(1H)-ylsulfonyl)benzoic acids; a New Class of Highly Potent and Selective Inhibitors of the Type 5 17-beta-hydroxysteroid Dehydrogenase AKR1C3
J.Med.Chem., 55, 2012
4FAL
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BU of 4fal by Molmil
Crystal structure of human 17beta-hydroxysteroid dehydrogenase type 5 in complex with 3-((3,4-dihydroisoquinolin-2(1H)-yl)sulfonyl)-N-methylbenzamide (80)
Descriptor: 1,2-ETHANEDIOL, 3-(3,4-dihydroisoquinolin-2(1H)-ylsulfonyl)-N-methylbenzamide, Aldo-keto reductase family 1 member C3, ...
Authors:Turnbull, A.P, Jamieson, S.M.F, Brooke, D.G, Heinrich, D, Atwell, G.J, Silva, S, Hamilton, E.J, Rigoreau, L.J.M, Trivier, E, Soudy, C, Samlal, S.S, Owen, P.J, Schroeder, E, Raynham, T, Flanagan, J.U, Denny, W.A.
Deposit date:2012-05-22
Release date:2012-10-10
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (2 Å)
Cite:3-(3,4-Dihydroisoquinolin-2(1H)-ylsulfonyl)benzoic acids; a New Class of Highly Potent and Selective Inhibitors of the Type 5 17-beta-hydroxysteroid Dehydrogenase AKR1C3
J.Med.Chem., 55, 2012
4FA3
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Crystal structure of human 17beta-hydroxysteroid dehydrogenase type 5 in complex with (R)-1-(naphthalen-2-ylsulfonyl)piperidine-3-carboxylic acid (86)
Descriptor: (3R)-1-(naphthalen-2-ylsulfonyl)piperidine-3-carboxylic acid, 1,2-ETHANEDIOL, ACETATE ION, ...
Authors:Turnbull, A.P, Jamieson, S.M.F, Brooke, D.G, Heinrich, D, Atwell, G.J, Silva, S, Hamilton, E.J, Rigoreau, L.J.M, Trivier, E, Soudy, C, Samlal, S.S, Owen, P.J, Schroeder, E, Raynham, T, Flanagan, J.U, Denny, W.A.
Deposit date:2012-05-21
Release date:2012-10-10
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:3-(3,4-Dihydroisoquinolin-2(1H)-ylsulfonyl)benzoic acids; a New Class of Highly Potent and Selective Inhibitors of the Type 5 17-beta-hydroxysteroid Dehydrogenase AKR1C3
J.Med.Chem., 55, 2012
7ZAW
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BU of 7zaw by Molmil
GPC3-Unc5D octamer structure and role in cell migration
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Glypican-3
Authors:Akkermans, O, Delloye-Bourgeois, C, Peregrina, C, Carrasquero, M, Kokolaki, M, Berbeira-Santana, M, Chavent, M, Reynaud, F, Ritu, R, Agirre, J, Aksu, M, White, E, Lowe, E, Ben Amar, D, Zaballa, S, Huo, J, Pakos, I, McCubbin, P, Comoletti, D, Owens, R, Robinson, C, Castellani, V, del Toro, D, Seiradake, E.
Deposit date:2022-03-22
Release date:2022-11-02
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.58 Å)
Cite:GPC3-Unc5 receptor complex structure and role in cell migration.
Cell, 185, 2022
7YZ4
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BU of 7yz4 by Molmil
Mouse endoribonuclease Dicer (composite structure)
Descriptor: Endoribonuclease Dicer
Authors:Zanova, M, Zapletal, D, Kubicek, K, Stefl, R, Pinkas, M, Novacek, J.
Deposit date:2022-02-18
Release date:2022-11-16
Last modified:2024-07-17
Method:ELECTRON MICROSCOPY (3.84 Å)
Cite:Structural and functional basis of mammalian microRNA biogenesis by Dicer.
Mol.Cell, 82, 2022

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