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5H9C
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BU of 5h9c by Molmil
Crystal structure of the ASLV fusion protein core
Descriptor: CHLORIDE ION, Envelope glycoprotein gp95
Authors:Aydin, H, Lee, J.E.
Deposit date:2015-12-28
Release date:2016-01-06
Last modified:2024-10-09
Method:X-RAY DIFFRACTION (1.783 Å)
Cite:Structural characterization of a fusion glycoprotein from a retrovirus that undergoes a hybrid 2-step entry mechanism.
Faseb J., 27, 2013
5HAF
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BU of 5haf by Molmil
Structure of Salmonella enterica effector protein SseL
Descriptor: Deubiquitinase SseL, POTASSIUM ION
Authors:Pruneda, J.N, Komander, D.
Deposit date:2015-12-30
Release date:2016-07-27
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:The Molecular Basis for Ubiquitin and Ubiquitin-like Specificities in Bacterial Effector Proteases.
Mol.Cell, 63, 2016
5VO0
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BU of 5vo0 by Molmil
Structure of a TRAF6-Ubc13~Ub complex
Descriptor: POTASSIUM ION, TNF receptor-associated factor 6, Ubiquitin, ...
Authors:Middleton, A.J, Day, C.L.
Deposit date:2017-05-01
Release date:2017-12-06
Last modified:2024-10-09
Method:X-RAY DIFFRACTION (3.9 Å)
Cite:The activity of TRAF RING homo- and heterodimers is regulated by zinc finger 1.
Nat Commun, 8, 2017
5HHV
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BU of 5hhv by Molmil
Inhibiting complex IL-17A and IL-17RA interactions with a linear peptide
Descriptor: CAT-2000 FAB heavy chain, CAT-2000 FAB light chain, IL-17A peptide inhibitor, ...
Authors:Liu, S.
Deposit date:2016-01-11
Release date:2016-06-01
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Inhibiting complex IL-17A and IL-17RA interactions with a linear peptide.
Sci Rep, 6, 2016
5HI3
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BU of 5hi3 by Molmil
Binding site elucidation and structure guided design of macrocyclic IL-17A antagonists
Descriptor: CAT-2000 FAB heavy chain, CAT-2000 FAB light chain, Interleukin-17A, ...
Authors:Liu, S.
Deposit date:2016-01-11
Release date:2016-08-31
Last modified:2024-10-23
Method:X-RAY DIFFRACTION (2.15 Å)
Cite:Binding site elucidation and structure guided design of macrocyclic IL-17A antagonists.
Sci Rep, 6, 2016
5DCG
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BU of 5dcg by Molmil
Crystal Structure of WT Apo Human Glutathione Transferase Pi
Descriptor: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CALCIUM ION, Glutathione S-transferase P, ...
Authors:Parker, L.J, Parker, M.W, Morton, C.J.
Deposit date:2015-08-24
Release date:2016-12-07
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.01 Å)
Cite:Visualisation of Organoarsenic Human Glutathione Transferase P1-1 Complexes: Metabolism of Arsenic-based Therapeutics
To Be Published
5DCU
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BU of 5dcu by Molmil
Iridoid synthase from Catharanthus roseus - ternary complex with NADP+ and triethylene glycol carboxylic acid
Descriptor: 1,2-ETHANEDIOL, Iridoid synthase, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, ...
Authors:Caputi, L, Kries, H, Stevenson, C.E.M, Kamileen, M.O, Sherden, N.H, Geu-Flores, F, Lawson, D.M, O'Connor, S.E.
Deposit date:2015-08-24
Release date:2015-10-28
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.4 Å)
Cite:Structural determinants of reductive terpene cyclization in iridoid biosynthesis.
Nat.Chem.Biol., 12, 2016
7DZ2
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BU of 7dz2 by Molmil
Crystal structures of D-allulose 3-epimerase from Sinorhizobium fredii
Descriptor: D-tagatose 3-epimerase, MAGNESIUM ION, SULFATE ION
Authors:Zhu, Z.L, Miyakawa, T, Tanokura, M, Lu, F.P, Qin, H.-M.
Deposit date:2021-01-23
Release date:2022-08-03
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.55 Å)
Cite:Substantial Improvement of an Epimerase for the Synthesis of D-Allulose by Biosensor-Based High-Throughput Microdroplet Screening
Angew.Chem.Int.Ed.Engl., 2023
5W0J
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BU of 5w0j by Molmil
Antiparallel coiled coil hexamer formed by de novo peptides (ACC-Hex2).
Descriptor: CHLORIDE ION, peptide 1
Authors:Spencer, R.K, Hochbaum, A.I.
Deposit date:2017-05-30
Release date:2017-10-04
Last modified:2022-12-14
Method:X-RAY DIFFRACTION (2.201 Å)
Cite:The Phe-Ile Zipper: A Specific Interaction Motif Drives Antiparallel Coiled-Coil Hexamer Formation.
Biochemistry, 56, 2017
7DZ3
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BU of 7dz3 by Molmil
Crystal structures of D-allulose 3-epimerase with D-fructose from Sinorhizobium fredii
Descriptor: D-fructose, D-tagatose 3-epimerase, MAGNESIUM ION
Authors:Zhu, Z.L, Miyakawa, T, Tanokura, M, Lu, F.P, Qin, H.-M.
Deposit date:2021-01-23
Release date:2022-08-03
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.88 Å)
Cite:Substantial Improvement of an Epimerase for the Synthesis of D-Allulose by Biosensor-Based High-Throughput Microdroplet Screening
Angew.Chem.Int.Ed.Engl., 2023
5W0R
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BU of 5w0r by Molmil
Crystal structure of MBP fused activation-induced cytidine deaminase (AID) in complex with cacodylic acid
Descriptor: CACODYLATE ION, CALCIUM ION, MBP fused activation-induced cytidine deaminase, ...
Authors:Qiao, Q, Wang, L, Wu, H.
Deposit date:2017-05-31
Release date:2017-08-16
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:AID Recognizes Structured DNA for Class Switch Recombination.
Mol. Cell, 67, 2017
5DIM
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BU of 5dim by Molmil
Mutant toxin in 'native' space group
Descriptor: 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, Perfringolysin O
Authors:Parker, M.W, Gorman, M.A, Lawrence, S.L.
Deposit date:2015-09-01
Release date:2016-11-09
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (3.32 Å)
Cite:Structure of mutant toxin at 3.32 Angstrom resolution
To Be Published
7DZ4
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BU of 7dz4 by Molmil
Crystal structures of D-allulose 3-epimerase with D-tagatose from Sinorhizobium fredii
Descriptor: D-tagatose, D-tagatose 3-epimerase, MAGNESIUM ION
Authors:Zhu, Z.L, Miyakawa, T, Tanokura, M, Lu, F.P, Qin, H.-M.
Deposit date:2021-01-23
Release date:2022-08-03
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.84 Å)
Cite:Substantial Improvement of an Epimerase for the Synthesis of D-Allulose by Biosensor-Based High-Throughput Microdroplet Screening
Angew.Chem.Int.Ed.Engl., 2023
7DZ6
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BU of 7dz6 by Molmil
Crystal structures of D-allulose 3-epimerase with D-allulose from Sinorhizobium fredii
Descriptor: D-psicose, D-tagatose 3-epimerase, MAGNESIUM ION
Authors:Zhu, Z.L, Miyakawa, T, Tanokura, M, Lu, F.P, Qin, H.-M.
Deposit date:2021-01-23
Release date:2022-08-03
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Substantial Improvement of an Epimerase for the Synthesis of D-Allulose by Biosensor-Based High-Throughput Microdroplet Screening
Angew.Chem.Int.Ed.Engl., 2023
5HIT
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BU of 5hit by Molmil
Crystal Structure Analysis of Ca2+-calmodulin and a C-terminal EAG1 channel fragment
Descriptor: CALCIUM ION, Calmodulin, Potassium voltage-gated channel subfamily H member 1
Authors:Marques-Carvalho, M.J, Morais-Cabral, J.H.
Deposit date:2016-01-12
Release date:2016-09-14
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.85 Å)
Cite:Molecular Insights into the Mechanism of Calmodulin Inhibition of the EAG1 Potassium Channel.
Structure, 24, 2016
7E47
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BU of 7e47 by Molmil
Crystal structure of compound 6 bound to MIF
Descriptor: (2S,3R,4R,5R,6R)-2-[(2S,3R,4S,5R,6S)-6-(hydroxymethyl)-2-[[(2R,4R)-2-(4-hydroxyphenyl)-4,5-bis(oxidanyl)-3,4-dihydro-2H-chromen-7-yl]oxy]-4,5-bis(oxidanyl)oxan-3-yl]oxy-6-methyl-oxane-3,4,5-triol, CHLORIDE ION, Macrophage migration inhibitory factor
Authors:Fan, C.P, Yang, L, Guo, D.Y.
Deposit date:2021-02-10
Release date:2023-02-15
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.38 Å)
Cite:Identification and Structure-Activity Relationships of Dietary Flavonoids as Human Macrophage Migration Inhibitory Factor (MIF) Inhibitors.
J.Agric.Food Chem., 69, 2021
7DZ5
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BU of 7dz5 by Molmil
Crystal structures of D-allulose 3-epimerase with D-sorbose from Sinorhizobium fredii
Descriptor: D-sorbose, D-tagatose 3-epimerase, MAGNESIUM ION, ...
Authors:Zhu, Z.L, Miyakawa, T, Tanokura, M, Lu, F.P, Qin, H.-M.
Deposit date:2021-01-23
Release date:2022-08-03
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Substantial Improvement of an Epimerase for the Synthesis of D-Allulose by Biosensor-Based High-Throughput Microdroplet Screening
Angew.Chem.Int.Ed.Engl., 2023
5W1H
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BU of 5w1h by Molmil
Crystal structure of LbaCas13a (C2c2) bound to mature crRNA (24-nt spacer)
Descriptor: GLYCEROL, IODIDE ION, LbaCas13a (C2c2), ...
Authors:Knott, G.J, Doudna, J.A.
Deposit date:2017-06-03
Release date:2017-09-13
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (1.99 Å)
Cite:Guide-bound structures of an RNA-targeting A-cleaving CRISPR-Cas13a enzyme.
Nat. Struct. Mol. Biol., 24, 2017
7E4A
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BU of 7e4a by Molmil
Crystal structure of MIF bound to compound 13
Descriptor: CHLORIDE ION, Flavoxate, Macrophage migration inhibitory factor, ...
Authors:Fa, C.P, Guo, D.Y, Yang, L.
Deposit date:2021-02-11
Release date:2023-02-15
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.475 Å)
Cite:Identification and Structure-Activity Relationships of Dietary Flavonoids as Human Macrophage Migration Inhibitory Factor (MIF) Inhibitors.
J.Agric.Food Chem., 69, 2021
5VQA
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BU of 5vqa by Molmil
Structure of human TRIP13, ATP-bound form
Descriptor: ADENOSINE-5'-TRIPHOSPHATE, Pachytene checkpoint protein 2 homolog
Authors:Ye, Q, Corbett, K.D.
Deposit date:2017-05-08
Release date:2017-06-14
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.54 Å)
Cite:The AAA+ ATPase TRIP13 remodels HORMA domains through N-terminal engagement and unfolding.
EMBO J., 36, 2017
7E4B
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BU of 7e4b by Molmil
Crystal structure of MIF bound to compound 5
Descriptor: 2-[2,4-bis(oxidanyl)phenyl]-3,5,7-tris(oxidanyl)chromen-4-one, CHLORIDE ION, Macrophage migration inhibitory factor
Authors:Fan, C.P, Guo, D.Y, Yang, L.
Deposit date:2021-02-11
Release date:2023-02-15
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.772 Å)
Cite:Identification and Structure-Activity Relationships of Dietary Flavonoids as Human Macrophage Migration Inhibitory Factor (MIF) Inhibitors.
J.Agric.Food Chem., 69, 2021
5HJO
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BU of 5hjo by Molmil
Murine endoplasmic reticulum alpha-glucosidase II with bound substrate analogue
Descriptor: 1,2-ETHANEDIOL, 2-deoxy-alpha-D-arabino-hexopyranose-(1-3)-D-glucal, ACETATE ION, ...
Authors:Caputo, A.T, Roversi, P, Alonzi, D.S, Kiappes, J.L, Zitzmann, N.
Deposit date:2016-01-13
Release date:2016-07-27
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (2.29 Å)
Cite:Structures of mammalian ER alpha-glucosidase II capture the binding modes of broad-spectrum iminosugar antivirals.
Proc.Natl.Acad.Sci.USA, 113, 2016
7E45
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BU of 7e45 by Molmil
Crystal structure of compound 7 bound to MIF
Descriptor: (2R)-7-[(2R,3R,4R,5S,6S)-6-(hydroxymethyl)-3-[(2R,3R,4R,5R,6S)-6-methyl-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-4,5-bis(oxidanyl)oxan-2-yl]oxy-2-(4-methoxy-3-oxidanyl-phenyl)-5-oxidanyl-2,3-dihydrochromen-4-one, CHLORIDE ION, Macrophage migration inhibitory factor
Authors:Fan, C.P, Yang, L.
Deposit date:2021-02-10
Release date:2023-02-15
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.433 Å)
Cite:Identification and Structure-Activity Relationships of Dietary Flavonoids as Human Macrophage Migration Inhibitory Factor (MIF) Inhibitors.
J.Agric.Food Chem., 69, 2021
5W58
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BU of 5w58 by Molmil
Crystal Complex of Cyclooxygenase-2: (S)-ARN-2508 (a dual COX and FAAH inhibitor)
Descriptor: (2S)-2-{2-fluoro-3'-[(hexylcarbamoyl)oxy][1,1'-biphenyl]-4-yl}propanoic acid, 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:Xu, S, Goodman, M.C, Banerjee, S, Piomelli, D, Marnett, L.J.
Deposit date:2017-06-14
Release date:2018-01-31
Last modified:2024-11-06
Method:X-RAY DIFFRACTION (2.267 Å)
Cite:Dual cyclooxygenase-fatty acid amide hydrolase inhibitor exploits novel binding interactions in the cyclooxygenase active site.
J. Biol. Chem., 293, 2018
7E49
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BU of 7e49 by Molmil
Crystal structure of MIF bound to compound10
Descriptor: 3,5,7-TRIHYDROXY-2-(3,4,5-TRIHYDROXYPHENYL)-4H-CHROMEN-4-ONE, CHLORIDE ION, Macrophage migration inhibitory factor
Authors:Fan, C.P, Guo, D.Y, Yang, L.
Deposit date:2021-02-11
Release date:2023-02-15
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.574 Å)
Cite:Identification and Structure-Activity Relationships of Dietary Flavonoids as Human Macrophage Migration Inhibitory Factor (MIF) Inhibitors.
J.Agric.Food Chem., 69, 2021

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