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2R44
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BU of 2r44 by Molmil
CRYSTAL STRUCTURE OF A PUTATIVE ATPASE (CHU_0153) FROM CYTOPHAGA HUTCHINSONII ATCC 33406 AT 2.00 A RESOLUTION
Descriptor: PHOSPHATE ION, TETRAETHYLENE GLYCOL, Uncharacterized protein
Authors:Joint Center for Structural Genomics (JCSG)
Deposit date:2007-08-30
Release date:2007-09-18
Last modified:2023-01-25
Method:X-RAY DIFFRACTION (2 Å)
Cite:Crystal structure of putative ATPase (YP_676785.1) from Cytophaga hutchinsonii ATCC 33406 at 2.00 A resolution
To be published
5OU8
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BU of 5ou8 by Molmil
Crystal structure of Glycoprotein VI in complex with collagen-peptide (GPO)5
Descriptor: (GPO)5, 2-acetamido-2-deoxy-beta-D-glucopyranose, CHLORIDE ION, ...
Authors:Feitsma, L.J, Huizinga, E.G.
Deposit date:2017-08-23
Release date:2018-09-05
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Structural insights into collagen binding by platelet receptor glycoprotein VI.
Blood, 139, 2022
5OV3
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BU of 5ov3 by Molmil
Structure of the RbBP5 beta-propeller domain
Descriptor: Retinoblastoma-binding protein 5, TETRAETHYLENE GLYCOL, TRIETHYLENE GLYCOL
Authors:Mittal, A, Zhang, Y, Gamblin, S.J, Wilson, J.R.
Deposit date:2017-08-27
Release date:2018-03-28
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (2.45 Å)
Cite:The structure of the RbBP5 beta-propeller domain reveals a surface with potential nucleic acid binding sites.
Nucleic Acids Res., 46, 2018
5OYC
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BU of 5oyc by Molmil
GH5 endo-xyloglucanase from Cellvibrio japonicus
Descriptor: CHLORIDE ION, Cellulase, putative, ...
Authors:Attia, M, Nelson, C.E, Offen, W.A, Jain, N, Gardner, J.G, Davies, G.J, Brumer, H.
Deposit date:2017-09-08
Release date:2018-02-07
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:In vitro and in vivo characterization of threeCellvibrio japonicusglycoside hydrolase family 5 members reveals potent xyloglucan backbone-cleaving functions.
Biotechnol Biofuels, 11, 2018
5NWS
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BU of 5nws by Molmil
Crystal structure of saAcmM involved in actinomycin biosynthesis
Descriptor: GLYCEROL, PROTOPORPHYRIN IX CONTAINING FE, TETRAETHYLENE GLYCOL, ...
Authors:Driller, R, Semsary, S, Crnovicic, I, Vater, J, Keller, U, Loll, B.
Deposit date:2017-05-08
Release date:2018-01-24
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (2.227 Å)
Cite:Ketonization of Proline Residues in the Peptide Chains of Actinomycins by a 4-Oxoproline Synthase.
Chembiochem, 19, 2018
5NSF
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BU of 5nsf by Molmil
Structure of AzuAla
Descriptor: (2~{S})-2-azanyl-3-(2,6-dihydroazulen-1-yl)propanoic acid, CALCIUM ION, GLYCEROL, ...
Authors:Martins, B.M.
Deposit date:2017-04-26
Release date:2019-01-16
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (2.426 Å)
Cite:Site-Resolved Observation of Vibrational Energy Transfer Using a Genetically Encoded Ultrafast Heater.
Angew. Chem. Int. Ed. Engl., 58, 2019
7Z6Z
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BU of 7z6z by Molmil
Crystal structure of Angiotensin-1 converting enzyme N-domain in complex with fosinoprilat
Descriptor: 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Cozier, G.E, Acharya, K.R.
Deposit date:2022-03-14
Release date:2022-06-22
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:Structural basis for the inhibition of human angiotensin-1 converting enzyme by fosinoprilat.
Febs J., 289, 2022
5RC0
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BU of 5rc0 by Molmil
PanDDA analysis group deposition -- Endothiapepsin changed state model for fragment F2X-Entry Library E06a
Descriptor: (3-endo)-8-benzyl-8-azabicyclo[3.2.1]octan-3-ol, ACETATE ION, DIMETHYL SULFOXIDE, ...
Authors:Weiss, M.S, Wollenhaupt, J, Metz, A, Barthel, T, Lima, G.M.A, Heine, A, Mueller, U, Klebe, G.
Deposit date:2020-03-24
Release date:2020-06-03
Last modified:2020-06-17
Method:X-RAY DIFFRACTION (1.03 Å)
Cite:F2X-Universal and F2X-Entry: Structurally Diverse Compound Libraries for Crystallographic Fragment Screening.
Structure, 28, 2020
5RCD
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BU of 5rcd by Molmil
PanDDA analysis group deposition -- Endothiapepsin changed state model for fragment F2X-Entry Library H03a
Descriptor: ACETATE ION, DIMETHYL SULFOXIDE, Endothiapepsin, ...
Authors:Weiss, M.S, Wollenhaupt, J, Metz, A, Barthel, T, Lima, G.M.A, Heine, A, Mueller, U, Klebe, G.
Deposit date:2020-03-24
Release date:2020-06-03
Last modified:2020-06-17
Method:X-RAY DIFFRACTION (1.02 Å)
Cite:F2X-Universal and F2X-Entry: Structurally Diverse Compound Libraries for Crystallographic Fragment Screening.
Structure, 28, 2020
5RCT
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BU of 5rct by Molmil
PanDDA analysis group deposition -- Endothiapepsin ground state model 15
Descriptor: ACETATE ION, DI(HYDROXYETHYL)ETHER, Endothiapepsin, ...
Authors:Weiss, M.S, Wollenhaupt, J, Metz, A, Barthel, T, Lima, G.M.A, Heine, A, Mueller, U, Klebe, G.
Deposit date:2020-03-24
Release date:2020-06-03
Last modified:2024-10-16
Method:X-RAY DIFFRACTION (1.01 Å)
Cite:F2X-Universal and F2X-Entry: Structurally Diverse Compound Libraries for Crystallographic Fragment Screening.
Structure, 28, 2020
5RBV
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BU of 5rbv by Molmil
PanDDA analysis group deposition -- Endothiapepsin changed state model for fragment F2X-Entry Library D04a
Descriptor: ACETATE ION, DIMETHYL SULFOXIDE, Endothiapepsin, ...
Authors:Weiss, M.S, Wollenhaupt, J, Metz, A, Barthel, T, Lima, G.M.A, Heine, A, Mueller, U, Klebe, G.
Deposit date:2020-03-24
Release date:2020-06-03
Last modified:2024-04-24
Method:X-RAY DIFFRACTION (0.98 Å)
Cite:F2X-Universal and F2X-Entry: Structurally Diverse Compound Libraries for Crystallographic Fragment Screening.
Structure, 28, 2020
5RCB
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BU of 5rcb by Molmil
PanDDA analysis group deposition -- Endothiapepsin changed state model for fragment F2X-Entry Library G09a
Descriptor: (2R)-2-(acetylamino)-4-phenylbutanoic acid, ACETATE ION, DIMETHYL SULFOXIDE, ...
Authors:Weiss, M.S, Wollenhaupt, J, Metz, A, Barthel, T, Lima, G.M.A, Heine, A, Mueller, U, Klebe, G.
Deposit date:2020-03-24
Release date:2020-06-03
Last modified:2024-10-16
Method:X-RAY DIFFRACTION (0.99 Å)
Cite:F2X-Universal and F2X-Entry: Structurally Diverse Compound Libraries for Crystallographic Fragment Screening.
Structure, 28, 2020
5RCR
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BU of 5rcr by Molmil
PanDDA analysis group deposition -- Endothiapepsin ground state model 13
Descriptor: ACETATE ION, DI(HYDROXYETHYL)ETHER, Endothiapepsin, ...
Authors:Weiss, M.S, Wollenhaupt, J, Metz, A, Barthel, T, Lima, G.M.A, Heine, A, Mueller, U, Klebe, G.
Deposit date:2020-03-24
Release date:2020-06-03
Last modified:2020-06-17
Method:X-RAY DIFFRACTION (1.05 Å)
Cite:F2X-Universal and F2X-Entry: Structurally Diverse Compound Libraries for Crystallographic Fragment Screening.
Structure, 28, 2020
5RDL
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BU of 5rdl by Molmil
PanDDA analysis group deposition -- Endothiapepsin ground state model 45
Descriptor: ACETATE ION, DI(HYDROXYETHYL)ETHER, Endothiapepsin, ...
Authors:Weiss, M.S, Wollenhaupt, J, Metz, A, Barthel, T, Lima, G.M.A, Heine, A, Mueller, U, Klebe, G.
Deposit date:2020-03-24
Release date:2020-06-03
Last modified:2020-06-17
Method:X-RAY DIFFRACTION (1.09 Å)
Cite:F2X-Universal and F2X-Entry: Structurally Diverse Compound Libraries for Crystallographic Fragment Screening.
Structure, 28, 2020
7YXP
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BU of 7yxp by Molmil
Crystal structure of WT AncGR2-LBD WT bound to dexamethasone and SHP coregulator fragment
Descriptor: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Ancestral Glucocorticoid Receptor2, DEXAMETHASONE, ...
Authors:Jimenez-Panizo, A, Estebanez-Perpina, E, Fuentes-Prior, P.
Deposit date:2022-02-16
Release date:2022-12-07
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (3.36 Å)
Cite:The multivalency of the glucocorticoid receptor ligand-binding domain explains its manifold physiological activities.
Nucleic Acids Res., 50, 2022
7YXR
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BU of 7yxr by Molmil
Crystal structure of mutant AncGR2-LBD (Y545A) bound to dexamethasone and SHP coregulator fragment
Descriptor: Ancestral Glucocorticoid Receptor2, DEXAMETHASONE, FORMIC ACID, ...
Authors:Jimenez-Panizo, A, Estebanez-Perpina, E, Fuentes-Prior, P.
Deposit date:2022-02-16
Release date:2022-12-07
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:The multivalency of the glucocorticoid receptor ligand-binding domain explains its manifold physiological activities.
Nucleic Acids Res., 50, 2022
7YXO
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BU of 7yxo by Molmil
Crystal structure of WT AncGR2-LBD bound to dexamethasone and SHP coregulator fragment
Descriptor: 3-[(3-CHOLAMIDOPROPYL)DIMETHYLAMMONIO]-1-PROPANESULFONATE, Ancestral Glucocorticoid Receptor2, DEXAMETHASONE, ...
Authors:Jimenez-Panizo, A, Estebanez-Perpina, E, Fuentes-Prior, P.
Deposit date:2022-02-16
Release date:2022-12-07
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.99 Å)
Cite:The multivalency of the glucocorticoid receptor ligand-binding domain explains its manifold physiological activities.
Nucleic Acids Res., 50, 2022
7YXN
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BU of 7yxn by Molmil
Crystal structure of WT AncGR2-LBD bound to dexamethasone and SHP coregulator fragment
Descriptor: Ancestral Glucocorticoid Receptor2, DEXAMETHASONE, FORMIC ACID, ...
Authors:Jimenez-Panizo, A, Estebanez-Perpina, E, Fuentes-Prior, P.
Deposit date:2022-02-16
Release date:2022-12-07
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.46 Å)
Cite:The multivalency of the glucocorticoid receptor ligand-binding domain explains its manifold physiological activities.
Nucleic Acids Res., 50, 2022
7Z8E
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BU of 7z8e by Molmil
Crystal structure of the substrate-binding protein YejA from S. meliloti in complex with peptide fragment
Descriptor: 1,2-ETHANEDIOL, ABC transporter substrate-binding protein, GLY-SER-ASP-VAL-ALA, ...
Authors:Morera, S, Vigouroux, V, Travin, D.Y.
Deposit date:2022-03-17
Release date:2023-02-22
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (1.58 Å)
Cite:Dual-Uptake Mode of the Antibiotic Phazolicin Prevents Resistance Acquisition by Gram-Negative Bacteria.
Mbio, 14, 2023
7Z0H
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BU of 7z0h by Molmil
Structure of yeast RNA Polymerase III-Ty1 integrase complex at 2.6 A (focus subunit AC40).
Descriptor: DNA-directed RNA polymerase III subunit RPC1, DNA-directed RNA polymerase III subunit RPC10, DNA-directed RNA polymerase III subunit RPC2, ...
Authors:Nguyen, P.Q, Huecas, S, Plaza-Pegueroles, A, Fernandez-Tornero, C.
Deposit date:2022-02-22
Release date:2023-04-05
Last modified:2024-07-17
Method:ELECTRON MICROSCOPY (2.6 Å)
Cite:Structural basis of Ty1 integrase tethering to RNA polymerase III for targeted retrotransposon integration.
Nat Commun, 14, 2023
7Z5N
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BU of 7z5n by Molmil
Crystal structure of DYRK1A in complex with CX-4945
Descriptor: 1,2-ETHANEDIOL, 5-[(3-chlorophenyl)amino]benzo[c][2,6]naphthyridine-8-carboxylic acid, DI(HYDROXYETHYL)ETHER, ...
Authors:Pustelny, K, Grygier, P, Golik, P, Dubin, G, Czarna, A.
Deposit date:2022-03-09
Release date:2023-03-22
Last modified:2024-10-16
Method:X-RAY DIFFRACTION (2.77 Å)
Cite:Crystal structure DYRK1A in complex with CX-4945
To Be Published
7Z31
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BU of 7z31 by Molmil
Structure of yeast RNA Polymerase III-Ty1 integrase complex at 2.7 A (focus subunit C11, no C11 C-terminal Zn-ribbon in the funnel pore).
Descriptor: DNA-directed RNA polymerase III subunit RPC1, DNA-directed RNA polymerase III subunit RPC10, DNA-directed RNA polymerase III subunit RPC2, ...
Authors:Nguyen, P.Q, Huecas, S, Plaza-Pegueroles, A, Fernandez-Tornero, C.
Deposit date:2022-03-01
Release date:2023-04-05
Last modified:2024-07-17
Method:ELECTRON MICROSCOPY (2.76 Å)
Cite:Structural basis of Ty1 integrase tethering to RNA polymerase III for targeted retrotransposon integration.
Nat Commun, 14, 2023
5PZK
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BU of 5pzk by Molmil
CRYSTAL STRUCTURE OF THE HEPATITIS C VIRUS NS5B RNA-DEPENDENT RNA POLYMERASE IN COMPLEX WITH 2-(4-FLUOROPHENYL)-N-METHYL-6-[(METHYLSULFONYL)AMINO]-5-(PROPAN-2-YLOXY)-1-BENZOFURAN-3-CARBOXAMIDE
Descriptor: (2E)-3-(4-{[(1-{[(13-cyclohexyl-6-oxo-6,7-dihydro-5H-indolo[1,2-d][1,4]benzodiazepin-10-yl)carbonyl]amino}cyclopentyl)carbonyl]amino}phenyl)prop-2-enoic acid, 2-(4-fluorophenyl)-N-methyl-6-[(methylsulfonyl)amino]-5-(propan-2-yloxy)-1-benzofuran-3-carboxamide, GLYCEROL, ...
Authors:Sheriff, S.
Deposit date:2017-02-27
Release date:2017-05-10
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Discovery of a Hepatitis C Virus NS5B Replicase Palm Site Allosteric Inhibitor (BMS-929075) Advanced to Phase 1 Clinical Studies.
J. Med. Chem., 60, 2017
7YUY
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BU of 7yuy by Molmil
Structure of a mutated membrane-bound glycosyltransferase
Descriptor: (11R,14S)-17-amino-14-hydroxy-8,14-dioxo-9,13,15-trioxa-14lambda~5~-phosphaheptadecan-11-yl decanoate, 1,3-beta-glucan synthase component FKS1, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Hu, X.L, Yang, P, Zhang, M, Liu, X.T, Yu, H.J.
Deposit date:2022-08-18
Release date:2023-03-29
Last modified:2024-10-16
Method:ELECTRON MICROSCOPY (3.5 Å)
Cite:Structural and mechanistic insights into fungal beta-1,3-glucan synthase FKS1.
Nature, 616, 2023
7Z30
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BU of 7z30 by Molmil
Structure of yeast RNA Polymerase III-Ty1 integrase complex at 2.9 A (focus subunit C11 terminal Zn-ribbon in the funnel pore).
Descriptor: DNA-directed RNA polymerase III subunit RPC1, DNA-directed RNA polymerase III subunit RPC10, DNA-directed RNA polymerase III subunit RPC2, ...
Authors:Nguyen, P.Q, Fernandez-Tornero, C.
Deposit date:2022-03-01
Release date:2023-04-05
Last modified:2024-07-17
Method:ELECTRON MICROSCOPY (2.9 Å)
Cite:Structural basis of Ty1 integrase tethering to RNA polymerase III for targeted retrotransposon integration.
Nat Commun, 14, 2023

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