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5O25
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BU of 5o25 by Molmil
Structure of wildtype T.maritima PDE (TM1595) in ligand-free state
Descriptor: CALCIUM ION, DI(HYDROXYETHYL)ETHER, MANGANESE (II) ION, ...
Authors:Witte, G, Drexler, D, Mueller, M.
Deposit date:2017-05-19
Release date:2017-10-25
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:Structural and Biophysical Analysis of the Soluble DHH/DHHA1-Type Phosphodiesterase TM1595 from Thermotoga maritima.
Structure, 25, 2017
7ULE
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BU of 7ule by Molmil
F420-1/GDP complex of F420-gamma glutamyl ligase (CofE) from Archaeoglobus fulgidus
Descriptor: (2~{S})-2-[[(2~{S})-2-[oxidanyl-[(2~{R},3~{S},4~{S})-2,3,4-tris(oxidanyl)-5-[2,4,8-tris(oxidanylidene)-1,9-dihydropyrimido[4,5-b]quinolin-10-yl]pentoxy]phosphoryl]oxypropanoyl]amino]pentanedioic acid, Coenzyme F420:L-glutamate ligase, GUANOSINE-5'-DIPHOSPHATE, ...
Authors:Bashiri, G, Squire, C.J.
Deposit date:2022-04-04
Release date:2023-04-12
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:A Universal Mechanism for Poly-glutamylation
To Be Published
8CLE
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BU of 8cle by Molmil
Vinblastine bound to tubulin (T2R-TTL) complex
Descriptor: (2ALPHA,2'BETA,3BETA,4ALPHA,5BETA)-VINCALEUKOBLASTINE, CALCIUM ION, GUANOSINE-5'-DIPHOSPHATE, ...
Authors:Wranik, M, Bertrand, Q, Kepa, M.W, Weinert, T, Steinmetz, M, Standfuss, J.
Deposit date:2023-02-16
Release date:2023-12-13
Method:X-RAY DIFFRACTION (3.2 Å)
Cite:A multi-reservoir extruder for time-resolved serial protein crystallography and compound screening at X-ray free-electron lasers.
Nat Commun, 14, 2023
8CLF
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BU of 8clf by Molmil
Z-SolQ2Br bound to tubulin (T2R-TTL) complex
Descriptor: 5-[[4-(2-bromoethyl)-3,5-dimethoxy-phenyl]diazenyl]-2-methoxy-phenol, CALCIUM ION, GUANOSINE-5'-DIPHOSPHATE, ...
Authors:Wranik, M, Bertrand, Q, Kepa, M, Weinert, T, Steinmetz, M, Standfuss, J.
Deposit date:2023-02-16
Release date:2023-12-13
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:A multi-reservoir extruder for time-resolved serial protein crystallography and compound screening at X-ray free-electron lasers.
Nat Commun, 14, 2023
8CLB
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BU of 8clb by Molmil
Colchicine bound to tubulin (T2R-TTL) complex
Descriptor: CALCIUM ION, GUANOSINE-5'-DIPHOSPHATE, GUANOSINE-5'-TRIPHOSPHATE, ...
Authors:Wranik, M, Kepa, M.W, Bertrand, Q, Weinert, T, Steinmetz, M, Standfuss, J.
Deposit date:2023-02-16
Release date:2023-12-13
Method:X-RAY DIFFRACTION (3 Å)
Cite:A multi-reservoir extruder for time-resolved serial protein crystallography and compound screening at X-ray free-electron lasers.
Nat Commun, 14, 2023
8CLH
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BU of 8clh by Molmil
Drug cocktail (Colchicine, Epothilone A, Peloruside, Ansamitocin P3, Vinblastine) bound to tubulin (T2R-TTL) complex
Descriptor: (1S,2S,3S,5S,6S,16Z,18Z,20R,21S)-11-chloro-21-hydroxy-12,20-dimethoxy-2,5,9,16-tetramethyl-8,23-dioxo-4,24-dioxa-9,22-diazatetracyclo[19.3.1.1~10,14~.0~3,5~]hexacosa-10(26),11,13,16,18-pentaen-6-yl 2-methylpropanoate, (2ALPHA,2'BETA,3BETA,4ALPHA,5BETA)-VINCALEUKOBLASTINE, CALCIUM ION, ...
Authors:Wranik, M, Bertrand, Q, Kepa, M.W, Weinert, T, Steinmetz, M, Standfuss, J.
Deposit date:2023-02-16
Release date:2023-12-13
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:A multi-reservoir extruder for time-resolved serial protein crystallography and compound screening at X-ray free-electron lasers.
Nat Commun, 14, 2023
8CLC
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BU of 8clc by Molmil
Tubulin (T2R-TTL) complex
Descriptor: CALCIUM ION, GUANOSINE-5'-DIPHOSPHATE, GUANOSINE-5'-TRIPHOSPHATE, ...
Authors:Wranik, M, Bertrand, Q, Kepa, M.W, Weinert, T, Steinmetz, M, Standfuss, J.
Deposit date:2023-02-16
Release date:2023-12-13
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:A multi-reservoir extruder for time-resolved serial protein crystallography and compound screening at X-ray free-electron lasers.
Nat Commun, 14, 2023
8CLD
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BU of 8cld by Molmil
Ansamitocin P3 bound to tubulin (T2R-TTL) complex
Descriptor: (1S,2S,3S,5S,6S,16Z,18Z,20R,21S)-11-chloro-21-hydroxy-12,20-dimethoxy-2,5,9,16-tetramethyl-8,23-dioxo-4,24-dioxa-9,22-diazatetracyclo[19.3.1.1~10,14~.0~3,5~]hexacosa-10(26),11,13,16,18-pentaen-6-yl 2-methylpropanoate, CALCIUM ION, Detyrosinated tubulin alpha-1B chain, ...
Authors:Wranik, M, Kepa, M.W, Bertrand, Q, Weinert, T, Steinmetz, M, Standfuss, J.
Deposit date:2023-02-16
Release date:2023-12-13
Method:X-RAY DIFFRACTION (3.2 Å)
Cite:A multi-reservoir extruder for time-resolved serial protein crystallography and compound screening at X-ray free-electron lasers.
Nat Commun, 14, 2023
8CLG
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BU of 8clg by Molmil
Epothilone A and Colchicine bound to tubulin (T2R-TTL) complex
Descriptor: CALCIUM ION, EPOTHILONE A, GUANOSINE-5'-DIPHOSPHATE, ...
Authors:Wranik, M, Bertrand, Q, Kepa, M.W, Weinert, T, Steinmetz, M, Standfuss, J.
Deposit date:2023-02-16
Release date:2023-12-13
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:A multi-reservoir extruder for time-resolved serial protein crystallography and compound screening at X-ray free-electron lasers.
Nat Commun, 14, 2023
6F7A
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BU of 6f7a by Molmil
Gloeobacter Ligand-gated Ion Channel (GLIC) closed state crystallized in an ultra-swollen lipidic mesophase
Descriptor: Proton-gated ion channel
Authors:Martiel, I, Zabara, A, Chong, J.Y.T, Stark, L, Cromer, B, Dummond, C.J, Mezzenga, R.
Deposit date:2017-12-07
Release date:2018-02-14
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (6 Å)
Cite:Design of ultra-swollen lipidic mesophases for the crystallization of membrane proteins with large extracellular domains.
Nat Commun, 9, 2018
1S9Q
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BU of 1s9q by Molmil
crystal structure of the ligand-binding domain of the estrogen-related receptor gamma in complex with 4-hydroxytamoxifen
Descriptor: 4-HYDROXYTAMOXIFEN, CHOLIC ACID, Estrogen-related receptor gamma
Authors:Greschik, H, Flaig, R, Renaud, J.P, Moras, D.
Deposit date:2004-02-05
Release date:2004-06-08
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Structural Basis for the Deactivation of the Estrogen-related Receptor {gamma} by Diethylstilbestrol or 4-Hydroxytamoxifen and Determinants of Selectivity.
J.Biol.Chem., 279, 2004
6FL9
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BU of 6fl9 by Molmil
The active form of a pentameric ion channel (sTeLIC) gated by alkaline pH - Wild type 2.3 Angstrom resolution
Descriptor: Cys-loop ligand-gated ion channel, TETRAETHYLENE GLYCOL, nonyl beta-D-glucopyranoside
Authors:Hu, H, Delarue, M.
Deposit date:2018-01-25
Release date:2018-05-16
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Crystal structures of a pentameric ion channel gated by alkaline pH show a widely open pore and identify a cavity for modulation.
Proc. Natl. Acad. Sci. U.S.A., 115, 2018
6N3I
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BU of 6n3i by Molmil
Crystal structure of a double Trp XylE mutants (G58W/L315W)
Descriptor: D-xylose transporter
Authors:Jiang, X, Wu, J.P, Yan, N.
Deposit date:2018-11-15
Release date:2019-03-27
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (3.69 Å)
Cite:Engineered XylE as a tool for mechanistic investigation and ligand discovery of the glucose transporters GLUTs.
Cell Discov, 5, 2019
5DCR
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BU of 5dcr by Molmil
R2-like ligand-binding oxidase with aerobically reconstituted Mn/Fe cofactor (short soak)
Descriptor: FE (III) ION, MANGANESE (III) ION, PALMITIC ACID, ...
Authors:Griese, J.J, Hogbom, M.
Deposit date:2015-08-24
Release date:2015-09-09
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.108 Å)
Cite:Structural Basis for Oxygen Activation at a Heterodinuclear Manganese/Iron Cofactor.
J.Biol.Chem., 290, 2015
6FVR
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BU of 6fvr by Molmil
The active form of a pentameric ion channel (sTeLIC) gated by alkaline pH - sTeLIC in complex with Cesium ions (Cs+)
Descriptor: CESIUM ION, Cys-loop ligand-gated ion channel, nonyl beta-D-glucopyranoside
Authors:Hu, H, Delarue, M.
Deposit date:2018-03-05
Release date:2018-05-16
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (4.2 Å)
Cite:Crystal structures of a pentameric ion channel gated by alkaline pH show a widely open pore and identify a cavity for modulation.
Proc. Natl. Acad. Sci. U.S.A., 115, 2018
7Q71
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BU of 7q71 by Molmil
The crystallographic structure of the Ligand Binding domain of the NR7 nuclear receptor from the amphioxus Branchiostoma lanceolatum
Descriptor: CHLORIDE ION, Nuclear hormone receptor 7, PHOSPHATE ION
Authors:Billas, I.M.L, McEwen, A.G, Hazemann, I, Moras, D, Laudet, V.
Deposit date:2021-11-09
Release date:2022-09-14
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2 Å)
Cite:A novel nuclear receptor subfamily enlightens the origin of heterodimerization.
Bmc Biol., 20, 2022
5JNE
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BU of 5jne by Molmil
E2-SUMO-Siz1 E3-SUMO-PCNA complex
Descriptor: E3 SUMO-protein ligase SIZ1,Ubiquitin-like protein SMT3, GLYCEROL, Proliferating cell nuclear antigen, ...
Authors:Lima, C.D, Streich Jr, F.C.
Deposit date:2016-04-29
Release date:2016-08-10
Last modified:2024-05-01
Method:X-RAY DIFFRACTION (2.85 Å)
Cite:Capturing a substrate in an activated RING E3/E2-SUMO complex.
Nature, 536, 2016
6FVQ
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BU of 6fvq by Molmil
The active form of a pentameric ion channel (sTeLIC) gated by alkaline pH - R86A
Descriptor: Cys-loop ligand-gated ion channel, TETRAETHYLENE GLYCOL, nonyl beta-D-glucopyranoside
Authors:Hu, H, Delarue, M.
Deposit date:2018-03-05
Release date:2018-05-16
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (3.3 Å)
Cite:Crystal structures of a pentameric ion channel gated by alkaline pH show a widely open pore and identify a cavity for modulation.
Proc. Natl. Acad. Sci. U.S.A., 115, 2018
6VIF
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BU of 6vif by Molmil
Human LRH-1 ligand-binding domain bound to agonist cpd 15 and fragment of coregulator TIF-2
Descriptor: N-[(8beta,11alpha,12alpha)-8-{[methyl(phenyl)amino]methyl}-1,6:7,14-dicycloprosta-1(6),2,4,7(14)-tetraen-11-yl]sulfuric diamide, Nuclear receptor coactivator 2, Nuclear receptor subfamily 5 group A member 2
Authors:Cato, M.L, Ortlund, E.A.
Deposit date:2020-01-13
Release date:2020-06-10
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.26 Å)
Cite:Development of a new class of liver receptor homolog-1 (LRH-1) agonists by photoredox conjugate addition.
Bioorg.Med.Chem.Lett., 30, 2020
7PRR
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BU of 7prr by Molmil
Structure of the ligand binding domain of the PctD (PA4633) chemoreceptor of Pseudomonas aeruginosa PAO1 in complex with acetylcholine
Descriptor: ACETYLCHOLINE, CALCIUM ION, DI(HYDROXYETHYL)ETHER, ...
Authors:Gavira, J.A, Matilla, M.A, Martin-Mora, D, Krell, T.
Deposit date:2021-09-22
Release date:2022-05-11
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Chemotaxis of the Human Pathogen Pseudomonas aeruginosa to the Neurotransmitter Acetylcholine.
Mbio, 13, 2022
7PRQ
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BU of 7prq by Molmil
Structure of the ligand binding domain of the PctD (PA4633) chemoreceptor of Pseudomonas aeruginosa PAO1 in complex with choline.
Descriptor: 1,2-ETHANEDIOL, CHOLINE ION, GLYCEROL, ...
Authors:Gavira, J.A, Matilla, M.A, Martin-Mora, D, Krell, T.
Deposit date:2021-09-22
Release date:2022-05-11
Last modified:2024-05-01
Method:X-RAY DIFFRACTION (2 Å)
Cite:Chemotaxis of the Human Pathogen Pseudomonas aeruginosa to the Neurotransmitter Acetylcholine.
Mbio, 13, 2022
6FLI
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BU of 6fli by Molmil
The active form of a pentameric ion channel (sTeLIC) gated by alkaline pH - Co-crystallization with 4-bromo cinnamic acid
Descriptor: 3-(4-bromophenyl)propanoic acid, Cys-loop ligand-gated ion channel, nonyl beta-D-glucopyranoside
Authors:Hu, H, Delarue, M.
Deposit date:2018-01-26
Release date:2018-05-16
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (3 Å)
Cite:Crystal structures of a pentameric ion channel gated by alkaline pH show a widely open pore and identify a cavity for modulation.
Proc. Natl. Acad. Sci. U.S.A., 115, 2018
6HCW
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BU of 6hcw by Molmil
Crystal Structure of Lysyl-tRNA Synthetase from Cryptosporidium parvum complexed with L-lysine and a difluoro cyclohexyl chromone ligand
Descriptor: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, LYSINE, Lysine--tRNA ligase, ...
Authors:Robinson, D.A, Baragana, B, Norcross, N, Forte, B, Walpole, C, Gilbert, I.H.
Deposit date:2018-08-16
Release date:2019-04-03
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.46 Å)
Cite:Lysyl-tRNA synthetase as a drug target in malaria and cryptosporidiosis.
Proc.Natl.Acad.Sci.USA, 116, 2019
5DCS
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BU of 5dcs by Molmil
R2-like ligand-binding oxidase with aerobically reconstituted Mn/Fe cofactor (long soak)
Descriptor: FE (III) ION, MANGANESE (II) ION, MANGANESE (III) ION, ...
Authors:Griese, J.J, Hogbom, M.
Deposit date:2015-08-24
Release date:2015-09-09
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.006 Å)
Cite:Structural Basis for Oxygen Activation at a Heterodinuclear Manganese/Iron Cofactor.
J.Biol.Chem., 290, 2015
7BK4
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BU of 7bk4 by Molmil
Crystal structure of RXRalpha ligand binding domain in complex with a fragment of the TIF2 coactivator
Descriptor: 6-[1-(3,5,5,8,8-PENTAMETHYL-5,6,7,8-TETRAHYDRONAPHTHALEN-2-YL)CYCLOPROPYL]PYRIDINE-3-CARBOXYLIC ACID, Nuclear receptor coactivator 2, Retinoic acid receptor RXR-alpha
Authors:le Maire, A, Bourguet, W.
Deposit date:2021-01-15
Release date:2021-08-04
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Structural Insights into the Interaction of the Intrinsically Disordered Co-activator TIF2 with Retinoic Acid Receptor Heterodimer (RXR/RAR).
J.Mol.Biol., 433, 2021

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