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3TDB	Human Pin1 bound to trans peptidomimetic inhibitor Descriptor: 2-{2-[2-(2-{2-[2-(2-ETHOXY-ETHOXY)-ETHOXY]-ETHOXY}-ETHOXY)-ETHOXY]-ETHOXY}-ETHANOL, N-[(1E,2R)-1-[(2R)-2-{[(2S)-1-amino-5-carbamimidamido-1-oxopentan-2-yl]carbamoyl}cyclopentylidene]-3-(phosphonooxy)propan-2-yl]-L-phenylalaninamide, Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1 Authors: Zhang, M, Zhang, Y. Deposit date: 2011-08-10 Release date: 2012-06-27 Last modified: 2024-02-28 Method: X-RAY DIFFRACTION (2.267 Å) Cite: Structural and Kinetic Analysis of Prolyl-isomerization/Phosphorylation Cross-Talk in the CTD Code. Acs Chem.Biol., 7, 2012
3TCZ	Human Pin1 bound to cis peptidomimetic inhibitor Descriptor: 2-{2-[2-(2-{2-[2-(2-ETHOXY-ETHOXY)-ETHOXY]-ETHOXY}-ETHOXY)-ETHOXY]-ETHOXY}-ETHANOL, N~2~-({(1R,2Z)-2-[(2R)-2-(formylamino)-3-(phosphonooxy)propylidene]cyclopentyl}carbonyl)-L-argininamide, Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1 Authors: Zhang, M, Zhang, Y. Deposit date: 2011-08-09 Release date: 2012-06-20 Last modified: 2024-02-28 Method: X-RAY DIFFRACTION (2.1 Å) Cite: Structural and Kinetic Analysis of Prolyl-isomerization/Phosphorylation Cross-Talk in the CTD Code. Acs Chem.Biol., 7, 2012
6CKX	Structure of CDK12/CycK in complex with a small molecule inhibitor N-(4-(1-methyl-1H-pyrazol-4-yl)phenyl)-N-((1r,4r)-4-(quinazolin-2-ylamino)cyclohexyl)acetamide Descriptor: Cyclin-K, Cyclin-dependent kinase 12, MAGNESIUM ION, ... Authors: Klein, M.G. Deposit date: 2018-03-01 Release date: 2018-08-29 Last modified: 2018-09-26 Method: X-RAY DIFFRACTION (2.8 Å) Cite: Discovery of 3-Benzyl-1-( trans-4-((5-cyanopyridin-2-yl)amino)cyclohexyl)-1-arylurea Derivatives as Novel and Selective Cyclin-Dependent Kinase 12 (CDK12) Inhibitors. J. Med. Chem., 61, 2018
1F8A	STRUCTURAL BASIS FOR THE PHOSPHOSERINE-PROLINE RECOGNITION BY GROUP IV WW DOMAINS Descriptor: PEPTIDYL-PROLYL CIS-TRANS ISOMERASE NIMA-INTERACTING 1, Y(SEP)PT(SEP)S PEPTIDE Authors: Verdecia, M.A, Bowman, M.E, Lu, K.P, Hunter, T, Noel, J.P. Deposit date: 2000-06-29 Release date: 2000-08-23 Last modified: 2013-05-22 Method: X-RAY DIFFRACTION (1.84 Å) Cite: Structural basis for phosphoserine-proline recognition by group IV WW domains. Nat.Struct.Biol., 7, 2000
8T1R	Crystal structure of human CPSF73 catalytic segment in complex with compound 2 Descriptor: 3-[7,7-bis(oxidanyl)-8-oxa-7-boranuidabicyclo[4.3.0]nona-1,3,5-trien-5-yl]-~{N}-[3-(3-methoxyphenyl)phenyl]propanamide, CHLORIDE ION, Cleavage and polyadenylation specificity factor subunit 3, ... Authors: Huang, J, Tong, L. Deposit date: 2023-06-02 Release date: 2023-11-08 Last modified: 2024-01-31 Method: X-RAY DIFFRACTION (2.2 Å) Cite: Anticancer benzoxaboroles block pre-mRNA processing by directly inhibiting CPSF3. Cell Chem Biol, 31, 2024
8T1Q	Crystal structure of human CPSF73 catalytic segment in complex with compound 1 Descriptor: 3-[7,7-bis(oxidanyl)-8-oxa-7-boranuidabicyclo[4.3.0]nona-1,3,5-trien-5-yl]-~{N}-[3-(4-ethanoylphenyl)phenyl]propanamide, CHLORIDE ION, Cleavage and polyadenylation specificity factor subunit 3, ... Authors: Huang, J, Tong, L. Deposit date: 2023-06-02 Release date: 2023-11-08 Last modified: 2024-01-31 Method: X-RAY DIFFRACTION (1.7 Å) Cite: Anticancer benzoxaboroles block pre-mRNA processing by directly inhibiting CPSF3. Cell Chem Biol, 31, 2024
7U2P	Structure of TcdA GTD in complex with RhoA Descriptor: GUANOSINE-5'-DIPHOSPHATE, Glucosyltransferase TcdA, MAGNESIUM ION, ... Authors: Baohua, C, Zheng, L, Kay, P, Rongsheng, J. Deposit date: 2022-02-24 Release date: 2022-05-04 Last modified: 2023-10-18 Method: X-RAY DIFFRACTION (2.596 Å) Cite: Structure of the glucosyltransferase domain of TcdA in complex with RhoA provides insights into substrate recognition. Sci Rep, 12, 2022
3S9G	Structure of human Hexim1 (delta stammer) coiled coil domain Descriptor: Protein HEXIM1 Authors: Bigalke, J.M, Blankenfeldt, W, Geyer, M. Deposit date: 2011-06-01 Release date: 2011-10-19 Last modified: 2024-02-28 Method: X-RAY DIFFRACTION (2.1 Å) Cite: Structure and Dynamics of a Stabilized Coiled-Coil Domain in the P-TEFb Regulator Hexim1. J.Mol.Biol., 414, 2011
5QRH	PanDDA analysis group deposition -- Crystal Structure of human Brachyury in complex with Z32327641 Descriptor: CADMIUM ION, T-box transcription factor T, [4-(cyclopropanecarbonyl)piperazin-1-yl](furan-2-yl)methanone Authors: Newman, J.A, Gavard, A.E, Fernandez-Cid, A, Sherestha, L, Burgess-Brown, N.A, von Delft, F, Arrowsmith, C.H, Edwards, A, Bountra, C, Gileadi, O. Deposit date: 2019-05-25 Release date: 2019-07-10 Last modified: 2024-03-06 Method: X-RAY DIFFRACTION (1.81 Å) Cite: PanDDA analysis group deposition To Be Published
5QSL	PanDDA analysis group deposition -- Crystal Structure of human Brachyury in complex with Z1273312153 Descriptor: CADMIUM ION, N-methyl-1H-indole-7-carboxamide, T-box transcription factor T Authors: Newman, J.A, Gavard, A.E, Fernandez-Cid, A, Sherestha, L, Burgess-Brown, N.A, von Delft, F, Arrowsmith, C.H, Edwards, A, Bountra, C, Gileadi, O. Deposit date: 2019-05-25 Release date: 2019-07-10 Last modified: 2024-03-06 Method: X-RAY DIFFRACTION (2.2 Å) Cite: PanDDA analysis group deposition To Be Published
5QRM	PanDDA analysis group deposition -- Crystal Structure of human Brachyury in complex with Z1899842917 Descriptor: 3-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-5-methyl-1,3,4-thiadiazol-2(3H)-one, CADMIUM ION, T-box transcription factor T Authors: Newman, J.A, Gavard, A.E, Fernandez-Cid, A, Sherestha, L, Burgess-Brown, N.A, von Delft, F, Arrowsmith, C.H, Edwards, A, Bountra, C, Gileadi, O. Deposit date: 2019-05-25 Release date: 2019-07-10 Last modified: 2024-03-06 Method: X-RAY DIFFRACTION (1.55 Å) Cite: PanDDA analysis group deposition To Be Published
5QRK	PanDDA analysis group deposition -- Crystal Structure of human Brachyury in complex with Z275179758 Descriptor: CADMIUM ION, N-[(1-methyl-1H-pyrazol-4-yl)methyl]furan-2-carboxamide, T-box transcription factor T Authors: Newman, J.A, Gavard, A.E, Fernandez-Cid, A, Sherestha, L, Burgess-Brown, N.A, von Delft, F, Arrowsmith, C.H, Edwards, A, Bountra, C, Gileadi, O. Deposit date: 2019-05-25 Release date: 2019-07-10 Last modified: 2024-03-06 Method: X-RAY DIFFRACTION (1.63 Å) Cite: PanDDA analysis group deposition To Be Published
4J1V	Functional and structural studies of MOBKL1B, a Salvador/Warts/Hippo tumor suppressor pathway, in HCV replication Descriptor: MOB kinase activator 1A, NS5A domain II peptide, ZINC ION Authors: Chung, H.-Y, Gu, M, Rice, C.M. Deposit date: 2013-02-02 Release date: 2014-08-06 Last modified: 2024-02-28 Method: X-RAY DIFFRACTION (1.95 Å) Cite: Seed Sequence-Matched Controls Reveal Limitations of Small Interfering RNA Knockdown in Functional and Structural Studies of Hepatitis C Virus NS5A-MOBKL1B Interaction. J.Virol., 88, 2014
5QRI	PanDDA analysis group deposition -- Crystal Structure of human Brachyury in complex with Z2856434826 Descriptor: CADMIUM ION, T-box transcription factor T, [4-(propan-2-yl)piperazin-1-yl](thiophen-2-yl)methanone Authors: Newman, J.A, Gavard, A.E, Fernandez-Cid, A, Sherestha, L, Burgess-Brown, N.A, von Delft, F, Arrowsmith, C.H, Edwards, A, Bountra, C, Gileadi, O. Deposit date: 2019-05-25 Release date: 2019-07-10 Last modified: 2024-03-06 Method: X-RAY DIFFRACTION (1.83 Å) Cite: PanDDA analysis group deposition To Be Published
6ZUZ	TFIIS N-terminal domain (TND) from human Elongin-A Descriptor: Elongin-A Authors: Veverka, V. Deposit date: 2020-07-23 Release date: 2021-12-01 Last modified: 2024-06-19 Method: SOLUTION NMR Cite: A ubiquitous disordered protein interaction module orchestrates transcription elongation. Science, 374, 2021
5QRG	PanDDA analysis group deposition -- Crystal Structure of human Brachyury in complex with Z275151340 Descriptor: 4-chloro-N-cyclopentyl-1-methyl-1H-pyrazole-3-carboxamide, CADMIUM ION, T-box transcription factor T Authors: Newman, J.A, Gavard, A.E, Fernandez-Cid, A, Sherestha, L, Burgess-Brown, N.A, von Delft, F, Arrowsmith, C.H, Edwards, A, Bountra, C, Gileadi, O. Deposit date: 2019-05-25 Release date: 2019-07-10 Last modified: 2024-03-06 Method: X-RAY DIFFRACTION (1.95 Å) Cite: PanDDA analysis group deposition To Be Published
5QRF	PanDDA analysis group deposition -- Crystal Structure of human Brachyury in complex with Z373768900 Descriptor: CADMIUM ION, N-(1-ethyl-1H-pyrazol-4-yl)cyclobutanecarboxamide, T-box transcription factor T Authors: Newman, J.A, Gavard, A.E, Fernandez-Cid, A, Sherestha, L, Burgess-Brown, N.A, von Delft, F, Arrowsmith, C.H, Edwards, A, Bountra, C, Gileadi, O. Deposit date: 2019-05-25 Release date: 2019-07-10 Last modified: 2024-03-06 Method: X-RAY DIFFRACTION (2.03 Å) Cite: PanDDA analysis group deposition To Be Published
5QRL	PanDDA analysis group deposition -- Crystal Structure of human Brachyury in complex with Z437516460 Descriptor: CADMIUM ION, N-[(6-methylpyridin-3-yl)methyl]cyclobutanecarboxamide, T-box transcription factor T Authors: Newman, J.A, Gavard, A.E, Fernandez-Cid, A, Sherestha, L, Burgess-Brown, N.A, von Delft, F, Arrowsmith, C.H, Edwards, A, Bountra, C, Gileadi, O. Deposit date: 2019-05-25 Release date: 2019-07-10 Last modified: 2024-03-06 Method: X-RAY DIFFRACTION (1.76 Å) Cite: PanDDA analysis group deposition To Be Published
5QRN	PanDDA analysis group deposition -- Crystal Structure of human Brachyury in complex with Z54226006 Descriptor: (2,6-difluorophenyl)(pyrrolidin-1-yl)methanone, CADMIUM ION, T-box transcription factor T Authors: Newman, J.A, Gavard, A.E, Fernandez-Cid, A, Sherestha, L, Burgess-Brown, N.A, von Delft, F, Arrowsmith, C.H, Edwards, A, Bountra, C, Gileadi, O. Deposit date: 2019-05-25 Release date: 2019-07-10 Last modified: 2024-03-06 Method: X-RAY DIFFRACTION (1.62 Å) Cite: PanDDA analysis group deposition To Be Published
5QRS	PanDDA analysis group deposition -- Crystal Structure of human Brachyury in complex with Z1891773393 Descriptor: CADMIUM ION, N-{4-[(1S)-1-aminoethyl]phenyl}cyclopropanecarboxamide, T-box transcription factor T Authors: Newman, J.A, Gavard, A.E, Fernandez-Cid, A, Sherestha, L, Burgess-Brown, N.A, von Delft, F, Arrowsmith, C.H, Edwards, A, Bountra, C, Gileadi, O. Deposit date: 2019-05-25 Release date: 2019-07-10 Last modified: 2024-03-06 Method: X-RAY DIFFRACTION (2.06 Å) Cite: PanDDA analysis group deposition To Be Published
5QRW	PanDDA analysis group deposition -- Crystal Structure of human Brachyury in complex with Z1509882419 Descriptor: 1-(propan-2-yl)-1H-imidazole-4-sulfonamide, CADMIUM ION, T-box transcription factor T Authors: Newman, J.A, Gavard, A.E, Fernandez-Cid, A, Sherestha, L, Burgess-Brown, N.A, von Delft, F, Arrowsmith, C.H, Edwards, A, Bountra, C, Gileadi, O. Deposit date: 2019-05-25 Release date: 2019-07-10 Last modified: 2024-03-06 Method: X-RAY DIFFRACTION (1.74 Å) Cite: PanDDA analysis group deposition To Be Published
5QS1	PanDDA analysis group deposition -- Crystal Structure of human Brachyury in complex with Z1954800564 Descriptor: 5-methoxy-1,3-benzothiazol-2-amine, CADMIUM ION, T-box transcription factor T Authors: Newman, J.A, Gavard, A.E, Fernandez-Cid, A, Sherestha, L, Burgess-Brown, N.A, von Delft, F, Arrowsmith, C.H, Edwards, A, Bountra, C, Gileadi, O. Deposit date: 2019-05-25 Release date: 2019-07-10 Last modified: 2024-03-06 Method: X-RAY DIFFRACTION (1.66 Å) Cite: PanDDA analysis group deposition To Be Published
5QRT	PanDDA analysis group deposition -- Crystal Structure of human Brachyury in complex with Z31735562 Descriptor: CADMIUM ION, T-box transcription factor T, ~{N}-(3-acetamidophenyl)-2-methoxy-ethanamide Authors: Newman, J.A, Gavard, A.E, Fernandez-Cid, A, Sherestha, L, Burgess-Brown, N.A, von Delft, F, Arrowsmith, C.H, Edwards, A, Bountra, C, Gileadi, O. Deposit date: 2019-05-25 Release date: 2019-07-10 Last modified: 2024-03-06 Method: X-RAY DIFFRACTION (1.77 Å) Cite: PanDDA analysis group deposition To Be Published
5QRY	PanDDA analysis group deposition -- Crystal Structure of human Brachyury in complex with Z2856434890 Descriptor: 4-methyl-N-phenylpiperazine-1-carboxamide, CADMIUM ION, T-box transcription factor T Authors: Newman, J.A, Gavard, A.E, Fernandez-Cid, A, Sherestha, L, Burgess-Brown, N.A, von Delft, F, Arrowsmith, C.H, Edwards, A, Bountra, C, Gileadi, O. Deposit date: 2019-05-25 Release date: 2019-07-10 Last modified: 2024-03-06 Method: X-RAY DIFFRACTION (1.58 Å) Cite: PanDDA analysis group deposition To Be Published
5QS5	PanDDA analysis group deposition -- Crystal Structure of human Brachyury in complex with Z32400357 Descriptor: 1-(3-methylbenzene-1-carbonyl)piperidine-4-carboxamide, CADMIUM ION, T-box transcription factor T Authors: Newman, J.A, Gavard, A.E, Fernandez-Cid, A, Sherestha, L, Burgess-Brown, N.A, von Delft, F, Arrowsmith, C.H, Edwards, A, Bountra, C, Gileadi, O. Deposit date: 2019-05-25 Release date: 2019-07-10 Last modified: 2024-03-06 Method: X-RAY DIFFRACTION (1.81 Å) Cite: PanDDA analysis group deposition To Be Published

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