7ZJ3
 
 | | Structure of TRIM2 RING domain in complex with UBE2D1~Ub conjugate | | Descriptor: | Polyubiquitin-C, Tripartite motif-containing protein 2, Ubiquitin-conjugating enzyme E2 D1, ... | | Authors: | Esposito, D, Garza-Garcia, A, Dudley-Fraser, J, Rittinger, K. | | Deposit date: | 2022-04-08 | | Release date: | 2022-11-30 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (2.53 Å) | | Cite: | Divergent self-association properties of paralogous proteins TRIM2 and TRIM3 regulate their E3 ligase activity.
Nat Commun, 13, 2022
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8T55
 | | Co-crystal structure of the WD-repeat domain of human WDR91 in complex with MR46654 | | Descriptor: | 1,2-ETHANEDIOL, N-[3-(4-chlorophenyl)oxetan-3-yl]-1-propanoyl-1,2,3,4-tetrahydroquinoline-5-carboxamide, WD repeat-containing protein 91 | | Authors: | Ahmad, H, Zeng, H, Dong, A, Li, Y, Yen, H, Seitova, A, Xu, J, Feng, J.W, Brown, P.J, Santhakumar, V, Ackloo, S, Arrowsmith, C.H, Edwards, A.M, Halabelian, L, Structural Genomics Consortium (SGC) | | Deposit date: | 2023-06-12 | | Release date: | 2023-07-05 | | Last modified: | 2024-10-23 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Discovery of a First-in-Class Small-Molecule Ligand for WDR91 Using DNA-Encoded Chemical Library Selection Followed by Machine Learning.
J.Med.Chem., 66, 2023
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1FKK
 | | ATOMIC STRUCTURE OF FKBP12, AN IMMUNOPHILIN BINDING PROTEIN | | Descriptor: | FK506 BINDING PROTEIN, SULFATE ION | | Authors: | Wilson, K.P, Sintchak, M.D, Thomson, J.A, Navia, M.A. | | Deposit date: | 1995-08-18 | | Release date: | 1995-12-07 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Comparative X-ray structures of the major binding protein for the immunosuppressant FK506 (tacrolimus) in unliganded form and in complex with FK506 and rapamycin.
Acta Crystallogr.,Sect.D, 51, 1995
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4K9W
 | | Complex of human CYP3A4 with a desoxyritonavir analog | | Descriptor: | Cytochrome P450 3A4, N~2~-(methyl{[2-(propan-2-yl)-1,3-thiazol-4-yl]methyl}carbamoyl)-N-[(2R,5S)-1-phenyl-5-{[(1,3-thiazol-5-ylmethoxy)carbonyl]amino}octan-2-yl]-L-valinamide, PROTOPORPHYRIN IX CONTAINING FE | | Authors: | Sevrioukova, I.F, Poulos, T.L. | | Deposit date: | 2013-04-21 | | Release date: | 2013-06-19 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (2.399 Å) | | Cite: | Dissecting Cytochrome P450 3A4-Ligand Interactions Using Ritonavir Analogues.
Biochemistry, 52, 2013
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7BRW
 | | Bovine Pancreatic Trypsin with 5-chlorotryptamine (Room Temperature) | | Descriptor: | 2-(5-chloranyl-1~{H}-indol-3-yl)ethanamine, CALCIUM ION, Cationic trypsin | | Authors: | Maeki, M, Ito, S, Takeda, R, Funakubo, T, Ueno, G, Ishida, A, Tani, H, Yamamoto, M, Tokeshi, M. | | Deposit date: | 2020-03-30 | | Release date: | 2020-08-26 | | Last modified: | 2024-10-30 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | Room-temperature crystallography using a microfluidic protein crystal array device and its application to protein-ligand complex structure analysis.
Chem Sci, 11, 2020
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7BS0
 | | Bovine Pancreatic Trypsin with aniline (Room Temperature) | | Descriptor: | ANILINE, CALCIUM ION, Cationic trypsin | | Authors: | Maeki, M, Ito, S, Takeda, R, Funakubo, T, Ueno, G, Ishida, A, Tani, H, Yamamoto, M, Tokeshi, M. | | Deposit date: | 2020-03-30 | | Release date: | 2020-08-26 | | Last modified: | 2024-11-20 | | Method: | X-RAY DIFFRACTION (1.85 Å) | | Cite: | Room-temperature crystallography using a microfluidic protein crystal array device and its application to protein-ligand complex structure analysis.
Chem Sci, 11, 2020
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8A55
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7BSA
 | | Bovine Pancreatic Trypsin with 5-Chlorotryptamine (Cryo) | | Descriptor: | 2-(5-chloranyl-1~{H}-indol-3-yl)ethanamine, CALCIUM ION, Cationic trypsin, ... | | Authors: | Maeki, M, Ito, S, Takeda, R, Funakubo, T, Ueno, G, Ishida, A, Tani, H, Yamamoto, M, Tokeshi, M. | | Deposit date: | 2020-03-30 | | Release date: | 2020-08-26 | | Last modified: | 2024-11-06 | | Method: | X-RAY DIFFRACTION (1.22 Å) | | Cite: | Room-temperature crystallography using a microfluidic protein crystal array device and its application to protein-ligand complex structure analysis.
Chem Sci, 11, 2020
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4K9U
 | | Complex of human CYP3A4 with a desoxyritonavir analog | | Descriptor: | Cytochrome P450 3A4, N~2~-(methyl{[2-(propan-2-yl)-1,3-thiazol-4-yl]methyl}carbamoyl)-N-[(2S,5S)-5-{[(1,3-thiazol-5-ylmethoxy)carbonyl]amino}hexan-2-yl]-D-valinamide, PROTOPORPHYRIN IX CONTAINING FE | | Authors: | Sevrioukova, I.F, Poulos, T.L. | | Deposit date: | 2013-04-21 | | Release date: | 2013-06-19 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (2.85 Å) | | Cite: | Dissecting Cytochrome P450 3A4-Ligand Interactions Using Ritonavir Analogues.
Biochemistry, 52, 2013
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5M9W
 | | Experimental MAD phased structure of thermolysin in complex with inhibitor JC65. | | Descriptor: | (2~{S})-4-methyl-2-[2-[[oxidanyl(phenylmethoxycarbonylaminomethyl)phosphoryl]amino]ethanoylamino]pentanoic acid, CALCIUM ION, DIMETHYL SULFOXIDE, ... | | Authors: | Krimmer, S.G, Cramer, J, Heine, A, Klebe, G. | | Deposit date: | 2016-11-02 | | Release date: | 2017-08-16 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (1.21 Å) | | Cite: | How Nothing Boosts Affinity: Hydrophobic Ligand Binding to the Virtually Vacated S1' Pocket of Thermolysin.
J. Am. Chem. Soc., 139, 2017
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1JH4
 | | Solution structure of the C-terminal PABC domain of human poly(A)-binding protein in complex with the peptide from Paip1 | | Descriptor: | polyadenylate-binding protein 1, polyadenylate-binding protein-interacting protein-1 | | Authors: | Kozlov, G, Siddiqui, N, Coillet-Matillon, S, Ekiel, I, Gehring, K. | | Deposit date: | 2001-06-27 | | Release date: | 2003-06-24 | | Last modified: | 2024-05-22 | | Method: | SOLUTION NMR | | Cite: | Structural basis of ligand recognition by PABC, a highly specific peptide-binding domain found in poly(A)-binding protein and a HECT ubiquitin ligase
EMBO J., 23, 2004
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4K9T
 | | Complex of CYP3A4 with a desoxyritonavir analog | | Descriptor: | Cytochrome P450 3A4, N~2~-(methyl{[2-(propan-2-yl)-1,3-thiazol-4-yl]methyl}carbamoyl)-N-(4-{[(1,3-thiazol-5-ylmethoxy)carbonyl]amino}butyl)-L-valinamide, PROTOPORPHYRIN IX CONTAINING FE | | Authors: | Sevrioukova, I.F, Poulos, T.L. | | Deposit date: | 2013-04-21 | | Release date: | 2013-06-19 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Dissecting Cytochrome P450 3A4-Ligand Interactions Using Ritonavir Analogues.
Biochemistry, 52, 2013
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5VLQ
 | | Structure of the TTLL3 Glycylase | | Descriptor: | LOC100158544 protein, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER, SULFATE ION | | Authors: | Garnham, C.P, Yu, I, Li, Y, Roll-Mecak, A. | | Deposit date: | 2017-04-25 | | Release date: | 2017-05-31 | | Last modified: | 2024-03-13 | | Method: | X-RAY DIFFRACTION (2.285 Å) | | Cite: | Crystal structure of tubulin tyrosine ligase-like 3 reveals essential architectural elements unique to tubulin monoglycylases.
Proc. Natl. Acad. Sci. U.S.A., 114, 2017
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1J17
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4K9X
 | | Complex of human CYP3A4 with a desoxyritonavir analog | | Descriptor: | 1,3-thiazol-5-ylmethyl [(2R,5R)-5-{[(2S)-2-methylbutanoyl]amino}-1,6-diphenylhexan-2-yl]carbamate, Cytochrome P450 3A4, PROTOPORPHYRIN IX CONTAINING FE | | Authors: | Sevrioukova, I.F, Poulos, T.L. | | Deposit date: | 2013-04-21 | | Release date: | 2013-06-19 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (2.76 Å) | | Cite: | Dissecting Cytochrome P450 3A4-Ligand Interactions Using Ritonavir Analogues.
Biochemistry, 52, 2013
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1J14
 | | BENZAMIDINE IN COMPLEX WITH RAT TRYPSIN MUTANT X99RT | | Descriptor: | BENZAMIDINE, CALCIUM ION, SULFATE ION, ... | | Authors: | Stubbs, M.T. | | Deposit date: | 2002-11-30 | | Release date: | 2002-12-23 | | Last modified: | 2024-10-16 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Reconstructing the Binding Site of Factor Xa in Trypsin Reveals Ligand-induced Structural Plasticity
J.MOL.BIOL., 325, 2003
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1FTC
 | | Y13C MUTANT OF AZOTOBACTER VINELANDII FDI | | Descriptor: | FE3-S4 CLUSTER, FERREDOXIN, IRON/SULFUR CLUSTER | | Authors: | Kemper, M.A, Lloyd, S.J, Prasad, G.S, Stout, C.D, Fawcett, S, Armstrong, F.A, Burgess, B.K. | | Deposit date: | 1997-01-08 | | Release date: | 1997-04-01 | | Last modified: | 2024-10-16 | | Method: | X-RAY DIFFRACTION (2.35 Å) | | Cite: | Y13C Azotobacter vinelandii ferredoxin I. A designed [Fe-S] ligand motif contains a cysteine persulfide.
J.Biol.Chem., 272, 1997
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7UX7
 | | Crystal structure of MfnG, an L- and D-tyrosine O-methyltransferase from the marformycin biosynthesis pathway of Streptomyces drozdowiczii, with SAH bound at 1.2 A resolution (P212121 - form II) | | Descriptor: | MfnG, S-ADENOSYL-L-HOMOCYSTEINE, UNKNOWN LIGAND | | Authors: | Miller, M.D, Wu, K.-L, Xu, W, Xiao, H, Philips Jr, G.N. | | Deposit date: | 2022-05-05 | | Release date: | 2022-10-12 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (1.14 Å) | | Cite: | Expanding the eukaryotic genetic code with a biosynthesized 21st amino acid.
Protein Sci., 31, 2022
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7UX6
 | | Crystal structure of MfnG, an L- and D-tyrosine O-methyltransferase from the marformycin biosynthesis pathway of Streptomyces drozdowiczii, with SAH bound at 1.35 A resolution (P212121 - form I) | | Descriptor: | MfnG, S-ADENOSYL-L-HOMOCYSTEINE, UNKNOWN LIGAND | | Authors: | Miller, M.D, Wu, K.-L, Xu, W, Xiao, H, Philips Jr, G.N. | | Deposit date: | 2022-05-05 | | Release date: | 2022-10-12 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (1.35 Å) | | Cite: | Expanding the eukaryotic genetic code with a biosynthesized 21st amino acid.
Protein Sci., 31, 2022
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1FKL
 | | ATOMIC STRUCTURE OF FKBP12-RAPAYMYCIN, AN IMMUNOPHILIN-IMMUNOSUPPRESSANT COMPLEX | | Descriptor: | FK506 BINDING PROTEIN, RAPAMYCIN IMMUNOSUPPRESSANT DRUG | | Authors: | Wilson, K.P, Sintchak, M.D, Thomson, J.A, Navia, M.A. | | Deposit date: | 1995-08-18 | | Release date: | 1995-12-07 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Comparative X-ray structures of the major binding protein for the immunosuppressant FK506 (tacrolimus) in unliganded form and in complex with FK506 and rapamycin.
Acta Crystallogr.,Sect.D, 51, 1995
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1FKJ
 | | ATOMIC STRUCTURE OF FKBP12-FK506, AN IMMUNOPHILIN IMMUNOSUPPRESSANT COMPLEX | | Descriptor: | 8-DEETHYL-8-[BUT-3-ENYL]-ASCOMYCIN, FK506 BINDING PROTEIN | | Authors: | Wilson, K.P, Sintchak, M.D, Thomson, J.A, Navia, M.A. | | Deposit date: | 1995-08-18 | | Release date: | 1995-12-07 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Comparative X-ray structures of the major binding protein for the immunosuppressant FK506 (tacrolimus) in unliganded form and in complex with FK506 and rapamycin.
Acta Crystallogr.,Sect.D, 51, 1995
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5TWX
 | | Crystal Structure of BRD9 bromodomain | | Descriptor: | Bromodomain-containing protein 9, N-[6-({2-[(3S)-2,6-dioxopiperidin-3-yl]-1,3-dioxo-2,3-dihydro-1H-isoindol-4-yl}oxy)hexyl]-2-(4-{2-[N-(1,1-dioxo-1lambda~6~-thian-4-yl)carbamimidoyl]-5-methyl-4-oxo-4,5-dihydrothieno[3,2-c]pyridin-7-yl}-2-methoxyphenoxy)acetamide | | Authors: | Seo, H.-S, Dhe-Paganon, S. | | Deposit date: | 2016-11-15 | | Release date: | 2017-09-27 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (2.55 Å) | | Cite: | Degradation of the BAF Complex Factor BRD9 by Heterobifunctional Ligands.
Angew. Chem. Int. Ed. Engl., 56, 2017
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1J15
 | | BENZAMIDINE IN COMPLEX WITH RAT TRYPSIN MUTANT X99/175/190RT | | Descriptor: | BENZAMIDINE, CALCIUM ION, SULFATE ION, ... | | Authors: | Stubbs, M.T. | | Deposit date: | 2002-11-30 | | Release date: | 2002-12-23 | | Last modified: | 2024-10-23 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Reconstructing the Binding Site of Factor Xa in Trypsin Reveals Ligand-induced Structural Plasticity
J.MOL.BIOL., 325, 2003
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6ID0
 | | Cryo-EM structure of a human intron lariat spliceosome prior to Prp43 loaded (ILS1 complex) at 2.9 angstrom resolution | | Descriptor: | 116 kDa U5 small nuclear ribonucleoprotein component, CWF19-like protein 2, Cell division cycle 5-like protein, ... | | Authors: | Zhang, X, Zhan, X, Yan, C, Shi, Y. | | Deposit date: | 2018-09-07 | | Release date: | 2019-03-13 | | Last modified: | 2024-10-30 | | Method: | ELECTRON MICROSCOPY (2.9 Å) | | Cite: | Structures of the human spliceosomes before and after release of the ligated exon.
Cell Res., 29, 2019
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1YEV
 | | T-To-T(High) quaternary transitions in human hemoglobin: betaW37E OXY (10 test sets) | | Descriptor: | Hemoglobin alpha chain, Hemoglobin beta chain, OXYGEN MOLECULE, ... | | Authors: | Kavanaugh, J.S, Rogers, P.H, Arnone, A. | | Deposit date: | 2004-12-28 | | Release date: | 2005-01-11 | | Last modified: | 2023-08-23 | | Method: | X-RAY DIFFRACTION (2.11 Å) | | Cite: | Crystallographic evidence for a new ensemble of ligand-induced allosteric transitions in hemoglobin: the T-to-T(high) quaternary transitions.
Biochemistry, 44, 2005
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