1T5K
| Crystal structure of amicyanin substituted with cobalt | Descriptor: | Amicyanin, COBALT (II) ION, PHOSPHATE ION | Authors: | Carrell, C.J, Wang, X, Jones, L, Jarrett, W.L, Davidson, V.L, Mathews, F.S. | Deposit date: | 2004-05-04 | Release date: | 2004-07-27 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (1.4 Å) | Cite: | Crystallographic and NMR Investigation of Cobalt-Substituted Amicyanin. Biochemistry, 43, 2004
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1EPP
| ENDOTHIA ASPARTIC PROTEINASE (ENDOTHIAPEPSIN) COMPLEXED WITH PD-130,693 (MAS PHE LYS+MTF STA MBA) | Descriptor: | ENDOTHIAPEPSIN, N-(dimethylsulfamoyl)-L-phenylalanyl-N-[(1S,2S)-2-hydroxy-4-{[(2S)-2-methylbutyl]amino}-1-(2-methylpropyl)-4-oxobutyl]-N~6~-(methylcarbamothioyl)-L-lysinamide, SULFATE ION | Authors: | Wallace, B.A, Cooper, J.B, Blundell, T.L. | Deposit date: | 1994-07-27 | Release date: | 1994-12-20 | Last modified: | 2017-11-29 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Analyses of ligand binding in five endothiapepsin crystal complexes and their use in the design and evaluation of novel renin inhibitors. J.Med.Chem., 36, 1993
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5XSW
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6OOR
| Structure of 1B1 bound to mouse CD1d | Descriptor: | Antibody 1B1 Heavy chain, Antibody 1B1 Light chain, Antigen-presenting glycoprotein CD1d1, ... | Authors: | Ying, G, Zajonc, D.M. | Deposit date: | 2019-04-23 | Release date: | 2019-07-17 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (2.45 Å) | Cite: | Structural basis of NKT cell inhibition using the T-cell receptor-blocking anti-CD1d antibody 1B1. J.Biol.Chem., 294, 2019
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4TXE
| ScCTS1 in complex with compound 5 | Descriptor: | (2S)-1-(2,3-dihydro-1H-inden-2-ylamino)-3-(3,4-dimethylphenoxy)propan-2-ol, Endochitinase | Authors: | Schuettelkopf, A.W, van Aalten, D.M.F. | Deposit date: | 2014-07-03 | Release date: | 2014-08-06 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Screening-based discovery of Aspergillus fumigatus plant-type chitinase inhibitors FEBS Lett, 588, 2014
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4LP2
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8HK7
| Structure of PKD2-F604P (Polycystin-2, TRPP2) with ML-SA1 | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-{2-oxo-2-[(4S)-2,2,4-trimethyl-3,4-dihydroquinolin-1(2H)-yl]ethyl}-1H-isoindole-1,3(2H)-dione, CALCIUM ION, ... | Authors: | Chen, M.Y, Su, Q, Wang, Z.F, Yu, Y. | Deposit date: | 2022-11-25 | Release date: | 2024-03-27 | Method: | ELECTRON MICROSCOPY (3 Å) | Cite: | Molecular and structural basis of the dual regulation of the polycystin-2 ion channel by small-molecule ligands. Proc.Natl.Acad.Sci.USA, 121, 2024
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2YUR
| Solution structure of the Ring finger of human Retinoblastoma-binding protein 6 | Descriptor: | Retinoblastoma-binding protein 6, ZINC ION | Authors: | Abe, H, Miyamoto, K, Tochio, N, Tomizawa, T, Koshiba, S, Harada, T, Watanabe, S, Kigawa, T, Yokoyama, S, RIKEN Structural Genomics/Proteomics Initiative (RSGI) | Deposit date: | 2007-04-06 | Release date: | 2008-04-08 | Last modified: | 2024-05-29 | Method: | SOLUTION NMR | Cite: | Solution structure of the Ring finger of human Retinoblastoma-binding protein 6 To be Published
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1EPQ
| ENDOTHIA ASPARTIC PROTEINASE (ENDOTHIAPEPSIN) COMPLEXED WITH PD-133,450 (SOT PHE GLY+SCC GCL) | Descriptor: | ENDOTHIAPEPSIN, N-[(1S)-2-{[(2S,3R,4S)-1-cyclohexyl-3,4-dihydroxy-6-methylheptan-2-yl]amino}-1-(ethylsulfanyl)-2-oxoethyl]-Nalpha-(morpholin-4-ylsulfonyl)-L-phenylalaninamide, SULFATE ION | Authors: | Dealwis, C, Cooper, J.B, Blundell, T.L. | Deposit date: | 1994-07-27 | Release date: | 1994-12-20 | Last modified: | 2020-05-27 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Analyses of ligand binding in five endothiapepsin crystal complexes and their use in the design and evaluation of novel renin inhibitors. J.Med.Chem., 36, 1993
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2HHD
| OXYGEN AFFINITY MODULATION BY THE N-TERMINI OF THE BETA-CHAINS IN HUMAN AND BOVINE HEMOGLOBIN | Descriptor: | HEMOGLOBIN (DEOXY) (ALPHA CHAIN), HEMOGLOBIN (DEOXY) (BETA CHAIN), PROTOPORPHYRIN IX CONTAINING FE, ... | Authors: | Gilliland, G.L, Pechik, I, Fronticelli, C, Ji, X. | Deposit date: | 1994-09-29 | Release date: | 1995-01-26 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Crystallographic, molecular modeling, and biophysical characterization of the valine beta 67 (E11)-->threonine variant of hemoglobin. Biochemistry, 35, 1996
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4LPH
| Crystal structure of human FPPS in complex with CL03093 | Descriptor: | ({[6-(4-methylphenyl)thieno[2,3-d]pyrimidin-4-yl]amino}methyl)phosphonic acid, Farnesyl pyrophosphate synthase, PHOSPHATE ION | Authors: | Park, J, Leung, C.Y, Tsantrizos, Y.S, Berghuis, A.M. | Deposit date: | 2013-07-16 | Release date: | 2014-06-25 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Multistage screening reveals chameleon ligands of the human farnesyl pyrophosphate synthase: implications to drug discovery for neurodegenerative diseases. J.Med.Chem., 57, 2014
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2ISK
| BluB bound to flavin anion (charge transfer complex) | Descriptor: | 1-DEOXY-1-(7,8-DIMETHYL-2,4-DIOXO-3,4-DIHYDRO-2H-BENZO[G]PTERIDIN-1-ID-10(5H)-YL)-5-O-PHOSPHONATO-D-RIBITOL, BluB | Authors: | Larsen, N.A, Taga, M.E, Howard-Jones, A.R, Walsh, C.T, Walker, G.C. | Deposit date: | 2006-10-17 | Release date: | 2007-03-27 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | BluB cannibalizes flavin to form the lower ligand of vitamin B12. Nature, 446, 2007
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4I7R
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7YNX
| Crystal structure of Pirh2 bound to poly-Ala peptide | Descriptor: | RING finger and CHY zinc finger domain-containing protein 1, SODIUM ION, SULFATE ION, ... | Authors: | Dong, C, Yan, X, Li, Y. | Deposit date: | 2022-08-01 | Release date: | 2023-04-26 | Last modified: | 2024-05-29 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Recognition of an Ala-rich C-degron by the E3 ligase Pirh2. Nat Commun, 14, 2023
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8BZR
| UFC1-UFM1 conjugate | Descriptor: | 1,2-ETHANEDIOL, Ubiquitin-fold modifier 1, Ubiquitin-fold modifier-conjugating enzyme 1 | Authors: | Magnussen, H.M, Kulathu, Y. | Deposit date: | 2022-12-15 | Release date: | 2023-12-27 | Last modified: | 2024-03-27 | Method: | X-RAY DIFFRACTION (1.781 Å) | Cite: | The UFM1 E3 ligase recognizes and releases 60S ribosomes from ER translocons. Nature, 627, 2024
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4PVU
| Crystal structure of the complex between PPARgamma-LBD and the R enantiomer of Mbx-102 (Metaglidasen) | Descriptor: | (2R)-(4-chlorophenyl)[3-(trifluoromethyl)phenoxy]ethanoic acid, Peroxisome proliferator-activated receptor gamma | Authors: | Pochetti, G, Montanari, R, Capelli, D, Loiodice, F, Laghezza, A, Piemontese, L, Lavecchia, A. | Deposit date: | 2014-03-18 | Release date: | 2015-02-11 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | On the metabolically active form of metaglidasen: improved synthesis and investigation of its peculiar activity on peroxisome proliferator-activated receptors and skeletal muscles. Chemmedchem, 10, 2015
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4I7J
| T4 Lysozyme L99A/M102H with benzene bound | Descriptor: | 2-HYDROXYETHYL DISULFIDE, ACETATE ION, BENZENE, ... | Authors: | Merski, M, Shoichet, B.K. | Deposit date: | 2012-11-30 | Release date: | 2013-03-27 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (1.67 Å) | Cite: | The impact of introducing a histidine into an apolar cavity site on docking and ligand recognition. J.Med.Chem., 56, 2013
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7YUJ
| Crystal structure of HOIL-1L(365-510) | Descriptor: | DI(HYDROXYETHYL)ETHER, RanBP-type and C3HC4-type zinc finger-containing protein 1, ZINC ION | Authors: | Xiao, L, Pan, L. | Deposit date: | 2022-08-17 | Release date: | 2023-08-30 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (1.865 Å) | Cite: | Mechanistic insights into the enzymatic activity of E3 ligase HOIL-1L and its regulation by the linear ubiquitin chain binding. Sci Adv, 9, 2023
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1JK4
| DES 1-6 BOVINE NEUROPHYSIN II COMPLEX WITH VASOPRESSIN | Descriptor: | CADMIUM ION, Lys Vasopressin, NEUROPHYSIN 2 | Authors: | Rose, J.P, Wang, B.-C. | Deposit date: | 2001-07-11 | Release date: | 2003-02-04 | Last modified: | 2023-08-16 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Structures of an Unliganded Neurophysin and its Vasopressin Complex: Implications for Binding and Allosteric Mechanisms Protein Sci., 10, 2001
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5YSD
| Crystal structure of beta-1,2-glucooligosaccharide binding protein in complex with sophorotriose | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, Lin1841 protein, MAGNESIUM ION, ... | Authors: | Abe, K, Nakajima, M, Taguchi, H, Arakawa, T, Fushinobu, S. | Deposit date: | 2017-11-14 | Release date: | 2018-05-02 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Structural and thermodynamic insights into beta-1,2-glucooligosaccharide capture by a solute-binding protein inListeria innocua. J. Biol. Chem., 293, 2018
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4I15
| Crystal structure of TbrPDEB1 | Descriptor: | Class 1 phosphodiesterase PDEB1, MAGNESIUM ION, ZINC ION | Authors: | Wang, H, Ke, H. | Deposit date: | 2012-11-20 | Release date: | 2013-03-13 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (1.65 Å) | Cite: | Discovery of Novel Trypanosoma brucei Phosphodiesterase B1 Inhibitors by Virtual Screening against the Unliganded TbrPDEB1 Crystal Structure. J.Med.Chem., 56, 2013
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8FUG
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4I7T
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4V4C
| Crystal Structure of Pyrogallol-Phloroglucinol Transhydroxylase from Pelobacter acidigallici | Descriptor: | 2-AMINO-5,6-DIMERCAPTO-7-METHYL-3,7,8A,9-TETRAHYDRO-8-OXA-1,3,9,10-TETRAAZA-ANTHRACEN-4-ONE GUANOSINE DINUCLEOTIDE, ACETATE ION, CALCIUM ION, ... | Authors: | Messerschmidt, A, Niessen, H, Abt, D, Einsle, O, Schink, B, Kroneck, P.M.H. | Deposit date: | 2004-06-02 | Release date: | 2014-07-09 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (2.35 Å) | Cite: | Crystal structure of pyrogallol-phloroglucinol transhydroxylase, an Mo enzyme capable of intermolecular hydroxyl transfer between phenols PROC.NATL.ACAD.SCI.USA, 101, 2004
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4V4E
| Crystal Structure of Pyrogallol-Phloroglucinol Transhydroxylase from Pelobacter acidigallici complexed with inhibitor 1,2,4,5-tetrahydroxy-benzene | Descriptor: | 2-AMINO-5,6-DIMERCAPTO-7-METHYL-3,7,8A,9-TETRAHYDRO-8-OXA-1,3,9,10-TETRAAZA-ANTHRACEN-4-ONE GUANOSINE DINUCLEOTIDE, BENZENE-1,2,4,5-TETROL, CALCIUM ION, ... | Authors: | Messerschmidt, A, Niessen, H, Abt, D, Einsle, O, Schink, B, Kroneck, P.M.H. | Deposit date: | 2004-06-02 | Release date: | 2014-07-09 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Crystal structure of pyrogallol-phloroglucinol transhydroxylase, an Mo enzyme capable of intermolecular hydroxyl transfer between phenols PROC.NATL.ACAD.SCI.USA, 101, 2004
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