7FSX
 
 | | SDCBP PanDDA analysis group deposition -- The PDZ domans of SDCBP in complex with Z1328078283 | | Descriptor: | 1,2-ETHANEDIOL, ALANINE, D-GLUTAMIC ACID, ... | | Authors: | Bradshaw, W.J, Katis, V.L, Bountra, C, von Delft, F, Brennan, P.E. | | Deposit date: | 2023-01-24 | | Release date: | 2023-02-15 | | Last modified: | 2024-05-22 | | Method: | X-RAY DIFFRACTION (1.91 Å) | | Cite: | SDCBP PanDDA analysis group deposition
To Be Published
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9JXE
 | | Cryo-EM structure of apo human XPR1, class 1, with one visible SPX domain | | Descriptor: | Solute carrier family 53 member 1 | | Authors: | Wang, X, Bai, Z, Wallis, C, Wang, H, Han, Y, Jin, R, Lei, M, Gu, C, Jessen, H, Shears, S, Sun, Y, Corry, B, Zhang, Y. | | Deposit date: | 2024-10-11 | | Release date: | 2025-08-27 | | Last modified: | 2025-09-17 | | Method: | ELECTRON MICROSCOPY (3.85 Å) | | Cite: | KIDINS220 and InsP8 safeguard the stepwise regulation of phosphate exporter XPR1.
Mol.Cell, 85, 2025
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7FT2
 | | SDCBP PanDDA analysis group deposition -- The PDZ domans of SDCBP in complex with Z235449082 | | Descriptor: | 1,2-ETHANEDIOL, ALANINE, D-GLUTAMIC ACID, ... | | Authors: | Bradshaw, W.J, Katis, V.L, Bountra, C, von Delft, F, Brennan, P.E. | | Deposit date: | 2023-01-24 | | Release date: | 2023-02-15 | | Last modified: | 2024-05-22 | | Method: | X-RAY DIFFRACTION (2.04 Å) | | Cite: | SDCBP PanDDA analysis group deposition
To Be Published
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6B4W
 | | TTK in Complex with Inhibitor | | Descriptor: | 4-{[4-(cyclopentyloxy)-5-(2-methyl-1,3-benzoxazol-6-yl)-7H-pyrrolo[2,3-d]pyrimidin-2-yl]amino}-3-methoxy-N-methylbenzamide, CACODYLATE ION, Dual specificity protein kinase TTK | | Authors: | Delker, S, Chamberlain, P.P. | | Deposit date: | 2017-09-27 | | Release date: | 2017-10-25 | | Last modified: | 2024-03-13 | | Method: | X-RAY DIFFRACTION (2.9 Å) | | Cite: | The Discovery of a Dual TTK Protein Kinase/CDC2-Like Kinase (CLK2) Inhibitor for the Treatment of Triple Negative Breast Cancer Initiated from a Phenotypic Screen.
J. Med. Chem., 60, 2017
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7FSK
 | | SDCBP PanDDA analysis group deposition -- The PDZ domans of SDCBP in complex with Z1954800564 | | Descriptor: | 1,2-ETHANEDIOL, 5-methoxy-1,3-benzothiazol-2-amine, ALANINE, ... | | Authors: | Bradshaw, W.J, Katis, V.L, Bountra, C, von Delft, F, Brennan, P.E. | | Deposit date: | 2023-01-24 | | Release date: | 2023-02-15 | | Last modified: | 2024-05-22 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | SDCBP PanDDA analysis group deposition
To Be Published
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4RUQ
 | | Carp Fishelectin, apo form | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, Fish-egg lectin, ... | | Authors: | Capaldi, S, Faggion, B, Carrizo, M.E, Destefanis, L, Gonzalez, M.C, Perduca, M, Bovi, M, Galliano, M, Monaco, H.L. | | Deposit date: | 2014-11-21 | | Release date: | 2015-04-08 | | Last modified: | 2024-11-27 | | Method: | X-RAY DIFFRACTION (1.35 Å) | | Cite: | Three-dimensional structure and ligand-binding site of carp fishelectin (FEL).
Acta Crystallogr.,Sect.D, 71, 2015
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6LE2
 | | Structure of D-carbamoylase mutant from Nitratireductor indicus | | Descriptor: | 1,2-ETHANEDIOL, GLYCEROL, N-carbamoyl-D-amino-acid hydrolase | | Authors: | Ni, Y, Liu, Y.F, Xu, G.C, Dai, W. | | Deposit date: | 2019-11-23 | | Release date: | 2020-10-28 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (2.14 Å) | | Cite: | Structure-Guided Engineering of D-Carbamoylase Reveals a Key Loop at Substrate Entrance Tunnel
Acs Catalysis, 10, 2020
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7FSS
 | | SDCBP PanDDA analysis group deposition -- The PDZ domans of SDCBP in complex with Z839706072 | | Descriptor: | 1,2-ETHANEDIOL, 2-(4-bromanylpyrazol-1-yl)-~{N}-cyclopropyl-~{N}-methyl-ethanamide, ALANINE, ... | | Authors: | Bradshaw, W.J, Katis, V.L, Bountra, C, von Delft, F, Brennan, P.E. | | Deposit date: | 2023-01-24 | | Release date: | 2023-02-15 | | Last modified: | 2024-05-22 | | Method: | X-RAY DIFFRACTION (2.11 Å) | | Cite: | SDCBP PanDDA analysis group deposition
To Be Published
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7FT4
 | | SDCBP PanDDA analysis group deposition -- The PDZ domans of SDCBP in complex with Z48847594 | | Descriptor: | 1,2-ETHANEDIOL, ALANINE, D-GLUTAMIC ACID, ... | | Authors: | Bradshaw, W.J, Katis, V.L, Bountra, C, von Delft, F, Brennan, P.E. | | Deposit date: | 2023-01-24 | | Release date: | 2023-02-15 | | Last modified: | 2024-05-22 | | Method: | X-RAY DIFFRACTION (2.17 Å) | | Cite: | SDCBP PanDDA analysis group deposition
To Be Published
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7FT3
 | | SDCBP PanDDA analysis group deposition -- The PDZ domans of SDCBP in complex with Z291279160 | | Descriptor: | 1,2-ETHANEDIOL, 1-[2-(trifluoromethyloxy)phenyl]thiourea, ALANINE, ... | | Authors: | Bradshaw, W.J, Katis, V.L, Bountra, C, von Delft, F, Brennan, P.E. | | Deposit date: | 2023-01-24 | | Release date: | 2023-02-15 | | Last modified: | 2024-05-22 | | Method: | X-RAY DIFFRACTION (2.05 Å) | | Cite: | SDCBP PanDDA analysis group deposition
To Be Published
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2B4O
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7FSM
 | | SDCBP PanDDA analysis group deposition -- The PDZ domans of SDCBP in complex with Z763030030 | | Descriptor: | 1,2-ETHANEDIOL, ALANINE, D-GLUTAMIC ACID, ... | | Authors: | Bradshaw, W.J, Katis, V.L, Bountra, C, von Delft, F, Brennan, P.E. | | Deposit date: | 2023-01-24 | | Release date: | 2023-02-15 | | Last modified: | 2024-05-22 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | SDCBP PanDDA analysis group deposition
To Be Published
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5CXV
 | | Structure of the human M1 muscarinic acetylcholine receptor bound to antagonist Tiotropium | | Descriptor: | (1R,2R,4S,5S,7S)-7-{[hydroxy(dithiophen-2-yl)acetyl]oxy}-9,9-dimethyl-3-oxa-9-azoniatricyclo[3.3.1.0~2,4~]nonane, 1,2-ETHANEDIOL, CHOLESTEROL HEMISUCCINATE, ... | | Authors: | Sun, B, Feng, D, Li, X, Kobilka, T.S, Kobilka, B.K. | | Deposit date: | 2015-07-29 | | Release date: | 2016-03-09 | | Last modified: | 2024-11-20 | | Method: | X-RAY DIFFRACTION (2.7 Å) | | Cite: | Crystal structures of the M1 and M4 muscarinic acetylcholine receptors.
Nature, 531, 2016
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7FSN
 | | SDCBP PanDDA analysis group deposition -- The PDZ domans of SDCBP in complex with Z254580486 | | Descriptor: | 1,2-ETHANEDIOL, ALANINE, D-GLUTAMIC ACID, ... | | Authors: | Bradshaw, W.J, Katis, V.L, Bountra, C, von Delft, F, Brennan, P.E. | | Deposit date: | 2023-01-24 | | Release date: | 2023-02-15 | | Last modified: | 2024-05-22 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | SDCBP PanDDA analysis group deposition
To Be Published
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6LHI
 | | Quadruple mutant (N51I+C59R+S108N+I164L) plasmodium falciparum dihydrofolate reductase-thymidylate synthase (PfDHFR-TS) complexed with C466 (compound 42) and NADPH | | Descriptor: | 1-[3-[(4-chlorophenyl)-(phenylmethyl)amino]propoxy]-6,6-dimethyl-1,3,5-triazine-2,4-diamine, 2'-DEOXYURIDINE 5'-MONOPHOSPHATE, Bifunctional dihydrofolate reductase-thymidylate synthase, ... | | Authors: | Vanichtanankul, J, Vitsupakorn, D. | | Deposit date: | 2019-12-09 | | Release date: | 2020-12-09 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (2.59 Å) | | Cite: | Flexible diaminodihydrotriazine inhibitors of Plasmodium falciparum dihydrofolate reductase: Binding strengths, modes of binding and their antimalarial activities.
Eur.J.Med.Chem., 195, 2020
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7FSW
 | | SDCBP PanDDA analysis group deposition -- The PDZ domans of SDCBP in complex with Z169675004 | | Descriptor: | 1,2-ETHANEDIOL, ALANINE, D-GLUTAMIC ACID, ... | | Authors: | Bradshaw, W.J, Katis, V.L, Bountra, C, von Delft, F, Brennan, P.E. | | Deposit date: | 2023-01-24 | | Release date: | 2023-02-15 | | Last modified: | 2024-05-22 | | Method: | X-RAY DIFFRACTION (2.14 Å) | | Cite: | SDCBP PanDDA analysis group deposition
To Be Published
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5CVA
 | | Crystal structure of the type IX collagen NC2 hetero-trimerization domain with a guest fragment a1a2a1 of type I collagen | | Descriptor: | Collagen alpha-1(I) chain,Collagen alpha-2(IX) chain, Collagen alpha-1(I) chain,Collagen alpha-3(IX) chain, Collagen alpha-2(I) chain,Collagen alpha-1(IX) chain, ... | | Authors: | Boudko, S.P, Bachinger, H.P. | | Deposit date: | 2015-07-25 | | Release date: | 2016-08-10 | | Last modified: | 2024-11-20 | | Method: | X-RAY DIFFRACTION (2.098 Å) | | Cite: | Structural insight for chain selection and stagger control in collagen.
Sci Rep, 6, 2016
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4OK3
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7TZS
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7FSH
 | | SDCBP PanDDA analysis group deposition -- The PDZ domans of SDCBP in complex with Z32367954 | | Descriptor: | 1,2-ETHANEDIOL, ALANINE, D-GLUTAMIC ACID, ... | | Authors: | Bradshaw, W.J, Katis, V.L, Bountra, C, von Delft, F, Brennan, P.E. | | Deposit date: | 2023-01-24 | | Release date: | 2023-02-15 | | Last modified: | 2024-05-22 | | Method: | X-RAY DIFFRACTION (2.11 Å) | | Cite: | SDCBP PanDDA analysis group deposition
To Be Published
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7ZT9
 | | Structure of E8 TCR in complex in human MR1 bound to 4FBA | | Descriptor: | 1,2-ETHANEDIOL, 4-METHYLBENZOIC ACID, Beta-2-microglobulin, ... | | Authors: | Karuppiah, V, Srikannathasan, V, Robinson, R.A. | | Deposit date: | 2022-05-09 | | Release date: | 2023-06-28 | | Last modified: | 2024-10-23 | | Method: | X-RAY DIFFRACTION (2.13 Å) | | Cite: | Promiscuous recognition of MR1 drives self-reactive mucosal-associated invariant T cell responses.
J.Exp.Med., 220, 2023
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5CXX
 | | Structure of a CE1 ferulic acid esterase, AmCE1/Fae1A, from Anaeromyces mucronatus in complex with Ferulic acid | | Descriptor: | 3-(4-HYDROXY-3-METHOXYPHENYL)-2-PROPENOIC ACID, GLYCEROL, SULFATE ION, ... | | Authors: | Gruninger, R.J, Abbott, D.W. | | Deposit date: | 2015-07-29 | | Release date: | 2016-04-27 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (1.55 Å) | | Cite: | Contributions of a unique beta-clamp to substrate recognition illuminates the molecular basis of exolysis in ferulic acid esterases.
Biochem.J., 473, 2016
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7FT8
 | | SDCBP PanDDA analysis group deposition -- The PDZ domans of SDCBP in complex with NCL-00024671 | | Descriptor: | 1,2-ETHANEDIOL, 2-(4-bromo-1H-pyrazol-1-yl)ethan-1-ol, ALANINE, ... | | Authors: | Bradshaw, W.J, Katis, V.L, Bountra, C, von Delft, F, Brennan, P.E. | | Deposit date: | 2023-01-24 | | Release date: | 2023-02-15 | | Last modified: | 2024-05-22 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | SDCBP PanDDA analysis group deposition
To Be Published
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6LED
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3NKE
 | | High resolution structure of the C-terminal domain CRISP-associated protein Cas1 from Escherichia coli str. K-12 | | Descriptor: | 1,2-ETHANEDIOL, SULFATE ION, SULFITE ION, ... | | Authors: | Nocek, B, Skarina, T, Beloglazova, N, Savchenko, A, Joachimiak, A, Yakunin, A. | | Deposit date: | 2010-06-18 | | Release date: | 2010-08-25 | | Last modified: | 2024-10-30 | | Method: | X-RAY DIFFRACTION (1.4 Å) | | Cite: | A dual function of the CRISPR-Cas system in bacterial antivirus immunity and DNA repair.
Mol.Microbiol., 79, 2011
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