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6SLR
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BU of 6slr by Molmil
Structure of saposin B in complex with atovaquone
Descriptor: 2-[trans-4-(4-chlorophenyl)cyclohexyl]-3-hydroxynaphthalene-1,4-dione, GLYCEROL, Prosaposin
Authors:Zubieta, C, Milliken, B, Doyle, R.
Deposit date:2019-08-20
Release date:2020-09-09
Last modified:2024-11-13
Method:X-RAY DIFFRACTION (2.38 Å)
Cite:Structure of saposin B in complex with atovaquone
To Be Published
6SIW
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BU of 6siw by Molmil
PaaK family AMP-ligase with AMP
Descriptor: 1,2-ETHANEDIOL, 2-(2-(2-(2-(2-(2-ETHOXYETHOXY)ETHOXY)ETHOXY)ETHOXY)ETHOXY)ETHANOL, ADENOSINE MONOPHOSPHATE, ...
Authors:Naismith, J.H, Song, H.
Deposit date:2019-08-12
Release date:2020-01-15
Last modified:2024-05-15
Method:X-RAY DIFFRACTION (1.96 Å)
Cite:The Biosynthesis of the Benzoxazole in Nataxazole Proceeds via an Unstable Ester and has Synthetic Utility.
Angew.Chem.Int.Ed.Engl., 59, 2020
7A68
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BU of 7a68 by Molmil
proteinase K crystallized from 0.5 M NaNO3
Descriptor: Proteinase K, SODIUM ION
Authors:Ilina, K.B, Kulikov, A.G, Timofeev, V.I, Marchenkova, M.A, Pisarevsky, Y.V, Kovalchuk, M.V.
Deposit date:2020-08-25
Release date:2020-10-21
Last modified:2024-10-09
Method:X-RAY DIFFRACTION (2.55 Å)
Cite:proteinase K crystallized from 0.5 M NaNO3
To Be Published
5LOI
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BU of 5loi by Molmil
Crystal structure of Myceliophthora thermophila Rad26 (residues 373-841)
Descriptor: Rad26
Authors:Andersen, K.R.
Deposit date:2016-08-09
Release date:2017-03-29
Last modified:2024-11-13
Method:X-RAY DIFFRACTION (3.153 Å)
Cite:Insights into Rad3 kinase recruitment from the crystal structure of the DNA damage checkpoint protein Rad26.
J. Biol. Chem., 292, 2017
6SMD
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BU of 6smd by Molmil
PlMCAT:AntF (holo): type II PKS acyl-carrier protein in complex with its malonyl-transacylase
Descriptor: Acyl carrier protein, Malonyl CoA-acyl carrier protein transacylase
Authors:Braeuer, A, Zhou, Q, Grammbitter, G.L.C, Schmalhofer, M, Ruehl, M, Kaila, V.R.I, Bode, H, Groll, M.
Deposit date:2019-08-21
Release date:2020-05-27
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (3.3 Å)
Cite:Structural snapshots of the minimal PKS system responsible for octaketide biosynthesis.
Nat.Chem., 12, 2020
6SK1
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BU of 6sk1 by Molmil
Diaminobutyrate acetyltransferase EctA from Paenibacillus lautus in complex with coenzyme A
Descriptor: ACETATE ION, COENZYME A, L-2,4-diaminobutyric acid acetyltransferase
Authors:Richter, A.A, Kobus, S, Czech, L, Hoeppner, A, Bremer, E, Smits, S.H.J.
Deposit date:2019-08-14
Release date:2020-01-29
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:The architecture of the diaminobutyrate acetyltransferase active site provides mechanistic insight into the biosynthesis of the chemical chaperone ectoine.
J.Biol.Chem., 295, 2020
5LPL
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BU of 5lpl by Molmil
Crystal structure of the bromodomain of human CREBBP bound to the inhibitor XDM3c
Descriptor: CREB-binding protein, ~{N}-[(1~{R},2~{R})-7-chloranyl-2-oxidanyl-1,2,3,4-tetrahydronaphthalen-1-yl]-4-ethanoyl-3-ethyl-5-methyl-1~{H}-pyrrole-2-carboxamide
Authors:Wohlwend, D, Huegle, M.
Deposit date:2016-08-13
Release date:2017-08-16
Last modified:2024-05-01
Method:X-RAY DIFFRACTION (1.65 Å)
Cite:Beyond the BET Family: Targeting CBP/p300 with 4-Acyl Pyrroles.
Angew. Chem. Int. Ed. Engl., 56, 2017
5LSJ
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BU of 5lsj by Molmil
CRYSTAL STRUCTURE OF THE HUMAN KINETOCHORE MIS12-CENP-C delta-HEAD2 COMPLEX
Descriptor: Centromere protein C, Kinetochore-associated protein DSN1 homolog, Kinetochore-associated protein NSL1 homolog, ...
Authors:Vetter, I.R, Petrovic, A, Keller, J, Liu, Y.
Deposit date:2016-09-02
Release date:2016-11-16
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (3.25 Å)
Cite:Structure of the MIS12 Complex and Molecular Basis of Its Interaction with CENP-C at Human Kinetochores.
Cell, 167, 2016
6ZTA
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BU of 6zta by Molmil
X-ray structure of mutated arabinofuranosidase
Descriptor: Alpha-L-arabinofuranosidase
Authors:Tandrup, T, Lo Leggio, L, Zhao, J, Bissaro, B, Barbe, S, Andre, I, Dumon, C, O'Donohue, M.J, Faure, R.
Deposit date:2020-07-17
Release date:2021-02-10
Last modified:2024-10-23
Method:X-RAY DIFFRACTION (3.1 Å)
Cite:Probing the determinants of the transglycosylation/hydrolysis partition in a retaining alpha-l-arabinofuranosidase.
N Biotechnol, 62, 2021
6ZT8
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BU of 6zt8 by Molmil
X-ray structure of mutated arabinofuranosidase
Descriptor: Alpha-L-arabinofuranosidase, CHLORIDE ION, PENTAETHYLENE GLYCOL, ...
Authors:Tandrup, T, Lo Leggio, L, Zhao, J, Bissaro, B, Barbe, S, Andre, I, Dumon, C, O'Donohue, M.J, Faure, R.
Deposit date:2020-07-17
Release date:2021-02-10
Last modified:2024-11-13
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Probing the determinants of the transglycosylation/hydrolysis partition in a retaining alpha-l-arabinofuranosidase.
N Biotechnol, 62, 2021
6ZT6
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BU of 6zt6 by Molmil
X-ray structure of mutated arabinofuranosidase
Descriptor: (4S)-2-METHYL-2,4-PENTANEDIOL, 2-[BIS-(2-HYDROXY-ETHYL)-AMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Alpha-L-arabinofuranosidase
Authors:Tandrup, T, Lo Leggio, L, Zhao, J, Bissaro, B, Barbe, S, Andre, I, Dumon, C, O'Donohue, M.J, Faure, R.
Deposit date:2020-07-17
Release date:2021-02-10
Last modified:2024-10-09
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Probing the determinants of the transglycosylation/hydrolysis partition in a retaining alpha-l-arabinofuranosidase.
N Biotechnol, 62, 2021
6SQ0
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BU of 6sq0 by Molmil
ERa_L536S (L536S/C381S/C471S,C530S) in complex with a bridged tetracyclic indole (compound 8)
Descriptor: Bridged tetracyclic indole, Estrogen receptor
Authors:Breed, J.
Deposit date:2019-09-03
Release date:2019-10-30
Last modified:2024-05-15
Method:X-RAY DIFFRACTION (1.77 Å)
Cite:Building Bridges in a Series of Estrogen Receptor Degraders: An Application of Metathesis in Medicinal Chemistry.
Acs Med.Chem.Lett., 10, 2019
6SQG
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BU of 6sqg by Molmil
Crystal structure of viral rhodopsin OLPVRII
Descriptor: (2S)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, EICOSANE, RETINAL, ...
Authors:Gushchin, I, Kovalev, K, Bratanov, D, Polovinkin, V, Astashkin, R, Popov, A, Bourenkov, G, Gordeliy, V.
Deposit date:2019-09-03
Release date:2019-11-06
Last modified:2024-10-23
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Unique structure and function of viral rhodopsins.
Nat Commun, 10, 2019
7ADR
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BU of 7adr by Molmil
CO bound as bridging ligand at the active site of vanadium nitrogenase VFe protein
Descriptor: 1,2-ETHANEDIOL, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 3-HYDROXY-3-CARBOXY-ADIPIC ACID, ...
Authors:Rohde, M, Grunau, K, Einsle, O.
Deposit date:2020-09-16
Release date:2020-09-30
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1 Å)
Cite:CO Binding to the FeV Cofactor of CO-Reducing Vanadium Nitrogenase at Atomic Resolution.
Angew.Chem.Int.Ed.Engl., 59, 2020
7A7N
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BU of 7a7n by Molmil
rsGreen0.7b in the green-off state
Descriptor: Green fluorescent protein
Authors:De Zitter, E, Dedecker, P, Van Meervelt, L.
Deposit date:2020-08-30
Release date:2021-02-17
Last modified:2024-11-20
Method:X-RAY DIFFRACTION (1.2 Å)
Cite:Structure-Function Dataset Reveals Environment Effects within a Fluorescent Protein Model System*.
Angew.Chem.Int.Ed.Engl., 60, 2021
6ZNR
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BU of 6znr by Molmil
MaeB PTA domain R535A mutant
Descriptor: Malate dehydrogenase
Authors:Lovering, A.L, Harding, C.J.
Deposit date:2020-07-06
Release date:2021-02-17
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.217 Å)
Cite:A rotary mechanism for allostery in bacterial hybrid malic enzymes.
Nat Commun, 12, 2021
6SR1
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BU of 6sr1 by Molmil
X-ray pump X-ray probe on lysozyme.Gd nanocrystals: 35 fs time delay
Descriptor: 10-((2R)-2-HYDROXYPROPYL)-1,4,7,10-TETRAAZACYCLODODECANE 1,4,7-TRIACETIC ACID, CHLORIDE ION, GADOLINIUM ATOM, ...
Authors:Kloos, M, Gorel, A, Nass, K.
Deposit date:2019-09-04
Release date:2020-04-22
Last modified:2024-11-13
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Structural dynamics in proteins induced by and probed with X-ray free-electron laser pulses.
Nat Commun, 11, 2020
5LYG
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BU of 5lyg by Molmil
CRYSTAL STRUCTURE OF INTRACELLULAR B30.2 DOMAIN OF BTN3A1 BOUND TO MALONATE
Descriptor: 1,2-ETHANEDIOL, Butyrophilin subfamily 3 member A1, MALONATE ION
Authors:Mohammed, F, Baker, A.T, Salim, M, Willcox, B.E.
Deposit date:2016-09-28
Release date:2017-09-13
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:BTN3A1 Discriminates gamma delta T Cell Phosphoantigens from Nonantigenic Small Molecules via a Conformational Sensor in Its B30.2 Domain.
ACS Chem. Biol., 12, 2017
7A7L
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BU of 7a7l by Molmil
rsEGFP in the green-off state
Descriptor: Green fluorescent protein, TETRAETHYLENE GLYCOL
Authors:De Zitter, E, Dedecker, P, Van Meervelt, L.
Deposit date:2020-08-30
Release date:2021-02-17
Last modified:2024-10-23
Method:X-RAY DIFFRACTION (1.3 Å)
Cite:Structure-Function Dataset Reveals Environment Effects within a Fluorescent Protein Model System*.
Angew.Chem.Int.Ed.Engl., 60, 2021
6SRK
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BU of 6srk by Molmil
X-ray pump X-ray probe on thaumatin nanocrystals: 35 fs time delay
Descriptor: L(+)-TARTARIC ACID, Thaumatin-1
Authors:Kloos, M, Gorel, A, Nass, K.
Deposit date:2019-09-05
Release date:2020-04-22
Last modified:2024-10-16
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Structural dynamics in proteins induced by and probed with X-ray free-electron laser pulses.
Nat Commun, 11, 2020
7A81
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BU of 7a81 by Molmil
rsGreen0.7-K206A-F145A partially in the green-on state
Descriptor: Green fluorescent protein
Authors:De Zitter, E, Dedecker, P, Van Meervelt, L.
Deposit date:2020-08-30
Release date:2021-02-17
Last modified:2024-10-09
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Structure-Function Dataset Reveals Environment Effects within a Fluorescent Protein Model System*.
Angew.Chem.Int.Ed.Engl., 60, 2021
7A8F
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BU of 7a8f by Molmil
rsGreen0.7-K206A-F165L in the green-on state
Descriptor: Green fluorescent protein
Authors:De Zitter, E, Dedecker, P, Van Meervelt, L.
Deposit date:2020-08-30
Release date:2021-02-17
Last modified:2024-11-06
Method:X-RAY DIFFRACTION (2.27 Å)
Cite:Structure-Function Dataset Reveals Environment Effects within a Fluorescent Protein Model System*.
Angew.Chem.Int.Ed.Engl., 60, 2021
6SOO
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BU of 6soo by Molmil
20 minute Fe2+ soaked structure of SynFtn variant D137A
Descriptor: FE (III) ION, Ferritin
Authors:Hemmings, A.M, Bradley, J.M.
Deposit date:2019-08-29
Release date:2020-01-29
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.57 Å)
Cite:Routes of iron entry into, and exit from, the catalytic ferroxidase sites of the prokaryotic ferritin SynFtn.
Dalton Trans, 49, 2020
7A84
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BU of 7a84 by Molmil
rsGreen0.7-K206A-F145H partially in the green-off state
Descriptor: Green fluorescent protein
Authors:De Zitter, E, Dedecker, P, Van Meervelt, L.
Deposit date:2020-08-30
Release date:2021-02-17
Last modified:2024-11-13
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Structure-Function Dataset Reveals Environment Effects within a Fluorescent Protein Model System*.
Angew.Chem.Int.Ed.Engl., 60, 2021
7A8C
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BU of 7a8c by Molmil
rsGreen0.7-K206A-F145S in the green-off state
Descriptor: Green fluorescent protein, TRIETHYLENE GLYCOL
Authors:De Zitter, E, Dedecker, P, Van Meervelt, L.
Deposit date:2020-08-30
Release date:2021-02-17
Last modified:2024-11-06
Method:X-RAY DIFFRACTION (2.13 Å)
Cite:Structure-Function Dataset Reveals Environment Effects within a Fluorescent Protein Model System*.
Angew.Chem.Int.Ed.Engl., 60, 2021

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