1VBP
 
 | | Crystal structure of artocarpin-mannopentose complex | | Descriptor: | SULFATE ION, alpha-D-mannopyranose-(1-3)-[alpha-D-mannopyranose-(1-6)]alpha-D-mannopyranose, alpha-D-mannopyranose-(1-3)-alpha-D-mannopyranose-(1-6)-[alpha-D-mannopyranose-(1-3)]alpha-D-mannopyranose, ... | | Authors: | Jeyaprakash, A.A, Srivastav, A, Surolia, A, Vijayan, M. | | Deposit date: | 2004-02-28 | | Release date: | 2004-06-15 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (3.5 Å) | | Cite: | Structural basis for the carbohydrate specificities of artocarpin: variation in the length of a loop as a strategy for generating ligand specificity
J.Mol.Biol., 338, 2004
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3OJV
 | | Crystal Structure of FGF1 complexed with the ectodomain of FGFR1c exhibiting an ordered ligand specificity-determining betaC'-betaE loop | | Descriptor: | 4-deoxy-2-O-sulfo-alpha-L-threo-hex-4-enopyranuronic acid-(1-4)-2-deoxy-6-O-sulfo-2-(sulfoamino)-alpha-D-glucopyranose-(1-4)-2-O-sulfo-alpha-L-idopyranuronic acid-(1-4)-2-deoxy-6-O-sulfo-2-(sulfoamino)-alpha-D-glucopyranose-(1-4)-2-O-sulfo-alpha-L-idopyranuronic acid-(1-4)-2-deoxy-6-O-sulfo-2-(sulfoamino)-alpha-D-glucopyranose, Basic fibroblast growth factor receptor 1, Heparin-binding growth factor 1 | | Authors: | Beenken, A, Mohammadi, M. | | Deposit date: | 2010-08-23 | | Release date: | 2011-12-28 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (2.6 Å) | | Cite: | Plasticity in Interactions of Fibroblast Growth Factor 1 (FGF1) N Terminus with FGF Receptors Underlies Promiscuity of FGF1.
J.Biol.Chem., 287, 2012
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2PBL
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7VD6
 | | Structure of S1M1-type FCPII complex from diatom | | Descriptor: | (3S,3'R,5R,6S,7cis)-7',8'-didehydro-5,6-dihydro-5,6-epoxy-beta,beta-carotene-3,3'-diol, (3S,3'S,5R,5'R,6S,6'R,8'R)-3,5'-dihydroxy-8-oxo-6',7'-didehydro-5,5',6,6',7,8-hexahydro-5,6-epoxy-beta,beta-caroten-3'- yl acetate, 1,2-DI-O-ACYL-3-O-[6-DEOXY-6-SULFO-ALPHA-D-GLUCOPYRANOSYL]-SN-GLYCEROL, ... | | Authors: | Nagao, R, Kato, K, Akita, F, Miyazaki, N, Shen, J.R. | | Deposit date: | 2021-09-06 | | Release date: | 2022-03-02 | | Last modified: | 2024-06-19 | | Method: | ELECTRON MICROSCOPY (2.8 Å) | | Cite: | Structural basis for different types of hetero-tetrameric light-harvesting complexes in a diatom PSII-FCPII supercomplex
Nat Commun, 13, 2022
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6DIM
 | | Crystal structure of Tdp1 catalytic domain in complex with Zenobia fragment ZT1982 from cocktail soak | | Descriptor: | 1,2-ETHANEDIOL, 4-hydroxyquinoline-3-carboxylic acid, Tyrosyl-DNA phosphodiesterase 1 | | Authors: | Lountos, G.T, Zhao, X.Z, Kiselev, E, Tropea, J.E, Needle, D, Burke Jr, T.R, Pommier, Y, Waugh, D.S. | | Deposit date: | 2018-05-23 | | Release date: | 2019-05-29 | | Last modified: | 2024-03-13 | | Method: | X-RAY DIFFRACTION (1.81 Å) | | Cite: | Identification of a ligand binding hot spot and structural motifs replicating aspects of tyrosyl-DNA phosphodiesterase I (TDP1) phosphoryl recognition by crystallographic fragment cocktail screening.
Nucleic Acids Res., 47, 2019
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6A6K
 | | Crystal structure of Estrogen-related Receptor-3 (ERR-gamma) ligand binding domain with DN201000 | | Descriptor: | 3-[(~{E})-5-oxidanyl-2-phenyl-1-[4-(4-propan-2-ylpiperazin-1-yl)phenyl]pent-1-enyl]phenol, Estrogen-related receptor gamma | | Authors: | Yoon, H, Kim, J, Chin, J, Cho, S.J, Song, J. | | Deposit date: | 2018-06-28 | | Release date: | 2019-04-10 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (2.9 Å) | | Cite: | Discovery of Potent, Selective, and Orally Bioavailable Estrogen-Related Receptor-gamma Inverse Agonists To Restore the Sodium Iodide Symporter Function in Anaplastic Thyroid Cancer.
J. Med. Chem., 62, 2019
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7XGO
 | | Human renin in complex with compound2 | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Renin, UNKNOWN LIGAND | | Authors: | Kashima, A. | | Deposit date: | 2022-04-05 | | Release date: | 2022-08-31 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Discovery of Novel 2-Carbamoyl Morpholine Derivatives as Highly Potent and Orally Active Direct Renin Inhibitors.
Acs Med.Chem.Lett., 13, 2022
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3B13
 | | Crystal structure of the DHR-2 domain of DOCK2 in complex with Rac1 (T17N mutant) | | Descriptor: | Dedicator of cytokinesis protein 2, Ras-related C3 botulinum toxin substrate 1 | | Authors: | Hanawa-Suetsugu, K, Kukimoto-Niino, M, Mishima-Tsumagari, C, Terada, T, Shirouzu, M, Fukui, Y, Yokoyama, S. | | Deposit date: | 2011-06-24 | | Release date: | 2012-03-14 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (3.006 Å) | | Cite: | Structural basis for mutual relief of the Rac guanine nucleotide exchange factor DOCK2 and its partner ELMO1 from their autoinhibited forms.
Proc.Natl.Acad.Sci.USA, 109, 2012
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7XGK
 | | Human renin in complex with compound1 | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Renin, UNKNOWN LIGAND | | Authors: | Kashima, A. | | Deposit date: | 2022-04-05 | | Release date: | 2022-08-31 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Discovery of Novel 2-Carbamoyl Morpholine Derivatives as Highly Potent and Orally Active Direct Renin Inhibitors.
Acs Med.Chem.Lett., 13, 2022
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7XGP
 | | Human renin in complex with compound3 | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Renin, UNKNOWN LIGAND | | Authors: | Kashima, A. | | Deposit date: | 2022-04-05 | | Release date: | 2022-09-07 | | Method: | X-RAY DIFFRACTION (2.65 Å) | | Cite: | Discovery of SPH3127: A Novel, Highly Potent, and Orally Active Direct Renin Inhibitor.
J.Med.Chem., 65, 2022
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4Q6H
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2I5N
 | | 1.96 A X-ray structure of photosynthetic reaction center from Rhodopseudomonas viridis:Crystals grown by microfluidic technique | | Descriptor: | 15-cis-1,2-dihydroneurosporene, BACTERIOCHLOROPHYLL B, BACTERIOPHEOPHYTIN B, ... | | Authors: | Li, L, Mustafi, D, Fu, Q, Tereshko, V, Chen, D.L, Tice, J.D, Ismagilov, R.F. | | Deposit date: | 2006-08-25 | | Release date: | 2006-09-19 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (1.96 Å) | | Cite: | Nanoliter microfluidic hybrid method for simultaneous screening and optimization validated with crystallization of membrane proteins.
Proc.Natl.Acad.Sci.Usa, 103, 2006
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2I8D
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4KEG
 | | Crystal Structure of MBP Fused Human SPLUNC1 | | Descriptor: | MAGNESIUM ION, Maltose-binding periplasmic/Palate lung and nasal epithelium clone fusion protein, octyl beta-D-glucopyranoside | | Authors: | Ning, F, Wang, C, Niu, L, Chu, H.W, Zhang, G. | | Deposit date: | 2013-04-25 | | Release date: | 2014-04-30 | | Last modified: | 2020-07-29 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | The Lipid Ligands of the SPLUNC1 Protein
To be Published
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2H1N
 | | 3.0 A X-ray structure of putative oligoendopeptidase F: crystals grown by vapor diffusion technique | | Descriptor: | Oligoendopeptidase F, UNKNOWN LIGAND, ZINC ION | | Authors: | Gerdts, C.J, Tereshko, V, Dementieva, I, Collart, F, Joachimiak, A, Kossiakoff, A, Ismagilov, R.F, Midwest Center for Structural Genomics (MCSG) | | Deposit date: | 2006-05-16 | | Release date: | 2006-06-13 | | Last modified: | 2011-07-13 | | Method: | X-RAY DIFFRACTION (3 Å) | | Cite: | Time-Controlled Microfluidic Seeding in nL-Volume Droplets To Separate Nucleation and Growth Stages of Protein Crystallization.
Angew.Chem.Int.Ed.Engl., 45, 2006
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1VBO
 | | Crystal structure of artocarpin-mannotriose complex | | Descriptor: | alpha-D-mannopyranose, alpha-D-mannopyranose-(1-3)-[alpha-D-mannopyranose-(1-6)]alpha-D-mannopyranose, artocarpin | | Authors: | Jeyaprakash, A.A, Srivastav, A, Surolia, A, Vijayan, M. | | Deposit date: | 2004-02-28 | | Release date: | 2004-06-15 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (2.35 Å) | | Cite: | Structural basis for the carbohydrate specificities of artocarpin: variation in the length of a loop as a strategy for generating ligand specificity
J.Mol.Biol., 338, 2004
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2GVI
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2GNO
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2M41
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3X28
 | | Crystal structure of Nitrile Hydratase mutant bR56K | | Descriptor: | CHLORIDE ION, FE (III) ION, MAGNESIUM ION, ... | | Authors: | Yamanaka, Y, Hashimoto, K, Noguchi, K, Yohda, M, Odaka, M. | | Deposit date: | 2014-12-12 | | Release date: | 2015-12-23 | | Method: | X-RAY DIFFRACTION (1.65 Å) | | Cite: | Reaction intermediate of nitrile hydratase determined by time-resolved crystallography reveals the cysteine-sulfenic acid ligand to be a catalytic nucleophile
To be Published
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2Q0Y
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4E0U
 | | Crystal structure of CdpNPT in complex with thiolodiphosphate and (S)-benzodiazependione | | Descriptor: | (3S)-3-(1H-indol-3-ylmethyl)-3,4-dihydro-1H-1,4-benzodiazepine-2,5-dione, 1,2-ETHANEDIOL, Cyclic dipeptide N-prenyltransferase, ... | | Authors: | Schuller, J.M, Zocher, G, Stehle, T. | | Deposit date: | 2012-03-05 | | Release date: | 2012-05-30 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (2.6 Å) | | Cite: | Structure and catalytic mechanism of a cyclic dipeptide prenyltransferase with broad substrate promiscuity.
J.Mol.Biol., 422, 2012
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2H3L
 | | Crystal Structure of ERBIN PDZ | | Descriptor: | LAP2 protein | | Authors: | Appleton, B.A, Zhang, Y, Wu, P, Yin, J.P, Hunziker, W, Skelton, N.J, Sidhu, S.S, Wiesmann, C. | | Deposit date: | 2006-05-22 | | Release date: | 2006-06-13 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (1 Å) | | Cite: | Comparative structural analysis of the Erbin PDZ domain and the first PDZ domain of ZO-1. Insights into determinants of PDZ domain specificity.
J.Biol.Chem., 281, 2006
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2Q9K
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6DMP
 | | De Novo Design of a Protein Heterodimer with Specificity Mediated by Hydrogen Bond Networks | | Descriptor: | Designed orthogonal protein DHD13_XAAA_A, Designed orthogonal protein DHD13_XAAA_B | | Authors: | Chen, Z, Flores-Solis, D, Sgourakis, N.G, Baker, D. | | Deposit date: | 2018-06-05 | | Release date: | 2018-12-19 | | Last modified: | 2024-05-15 | | Method: | SOLUTION NMR | | Cite: | Programmable design of orthogonal protein heterodimers.
Nature, 565, 2019
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