3RDT
 
 | | Crystal Structure of 809.B5 TCR complexed with MHC Class II I-Ab/3k peptide | | Descriptor: | 3K peptide, linker and MHC H-2 class II I-Ab beta chain, H-2 class II histocompatibility antigen, ... | | Authors: | Trenh, P, Huseby, E.S, Stern, L.J. | | Deposit date: | 2011-04-01 | | Release date: | 2011-12-07 | | Last modified: | 2024-10-30 | | Method: | X-RAY DIFFRACTION (2.7 Å) | | Cite: | A role for differential variable gene pairing in creating T cell receptors specific for unique major histocompatibility ligands.
Immunity, 35, 2011
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3D17
 | | A triply ligated crystal structure of relaxed state human hemoglobin | | Descriptor: | CARBON MONOXIDE, Hemoglobin subunit alpha, Hemoglobin subunit beta, ... | | Authors: | Safo, M.K, Musayev, F.N, Jenkins, J, Abraham, D.J. | | Deposit date: | 2008-05-05 | | Release date: | 2008-06-03 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (2.8 Å) | | Cite: | A triply ligated crystal structure of relaxed state human hemoglobin
TO BE PUBLISHED
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2Z4P
 | | Crystal structure of FFRP-DM1 | | Descriptor: | 75aa long hypothetical regulatory protein AsnC, ISOLEUCINE | | Authors: | Yamada, M, Koike, H, Kudo, N, Suzuki, M. | | Deposit date: | 2007-06-21 | | Release date: | 2007-09-18 | | Last modified: | 2024-03-13 | | Method: | X-RAY DIFFRACTION (1.95 Å) | | Cite: | A Structural Code for Discriminating between Transcription Signals Revealed by the Feast/Famine Regulatory Protein DM1 in Complex with Ligands
Structure, 15, 2007
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5MRM
 | | Arabidopsis thaliana IspD in complex with Isoxazole (4) | | Descriptor: | 2,4-bis(bromanyl)-6-[3-(trifluoromethyl)-1,2-oxazol-5-yl]phenol, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 2-C-methyl-D-erythritol 4-phosphate cytidylyltransferase, ... | | Authors: | Schwab, A, Illarionov, B, Frank, A, Kunfermann, A, Seet, M, Bacher, A, Witschel, M, Fischer, M, Groll, M, Diederich, F. | | Deposit date: | 2016-12-23 | | Release date: | 2017-07-19 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Mechanism of Allosteric Inhibition of the Enzyme IspD by Three Different Classes of Ligands.
ACS Chem. Biol., 12, 2017
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5MRO
 | | Arabidopsis thaliana IspD Glu258Ala mutant in complex with Azolopyrimidine (1) | | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 2-C-methyl-D-erythritol 4-phosphate cytidylyltransferase, chloroplastic, ... | | Authors: | Schwab, A, Illarionov, B, Frank, A, Kunfermann, A, Seet, M, Bacher, A, Witschel, M, Fischer, M, Groll, M, Diederich, F. | | Deposit date: | 2016-12-23 | | Release date: | 2017-07-19 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Mechanism of Allosteric Inhibition of the Enzyme IspD by Three Different Classes of Ligands.
ACS Chem. Biol., 12, 2017
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6ME4
 | | XFEL crystal structure of human melatonin receptor MT1 in complex with 2-iodomelatonin | | Descriptor: | DI(HYDROXYETHYL)ETHER, GLYCEROL, N-[2-(2-iodo-5-methoxy-1H-indol-3-yl)ethyl]acetamide, ... | | Authors: | Stauch, B, Johansson, L.C, McCorvy, J.D, Patel, N, Han, G.W, Gati, C, Batyuk, A, Ishchenko, A, Brehm, W, White, T.A, Michaelian, N, Madsen, C, Zhu, L, Grant, T.D, Grandner, J.M, Olsen, R.H.J, Tribo, A.R, Weierstall, U, Roth, B.L, Katritch, V, Liu, W, Cherezov, V. | | Deposit date: | 2018-09-05 | | Release date: | 2019-04-24 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (3.2 Å) | | Cite: | Structural basis of ligand recognition at the human MT1melatonin receptor.
Nature, 569, 2019
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1UHL
 | | Crystal structure of the LXRalfa-RXRbeta LBD heterodimer | | Descriptor: | (2E,4E)-11-METHOXY-3,7,11-TRIMETHYLDODECA-2,4-DIENOIC ACID, 10-mer peptide from Nuclear receptor coactivator 2, N-(2,2,2-TRIFLUOROETHYL)-N-{4-[2,2,2-TRIFLUORO-1-HYDROXY-1-(TRIFLUOROMETHYL)ETHYL]PHENYL}BENZENESULFONAMIDE, ... | | Authors: | Svensson, S, Ostberg, T, Jacobsson, M, Norstrom, C, Stefansson, K, Hallen, D, Johansson, I.C, Zachrisson, K, Ogg, D, Jendeberg, L. | | Deposit date: | 2003-07-03 | | Release date: | 2004-06-01 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (2.9 Å) | | Cite: | Crystal structure of the heterodimeric complex of LXRalpha and RXRbeta ligand-binding domains in a fully agonistic conformation
Embo J., 22, 2003
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5MRP
 | | Arabidopsis thaliana IspD Glu258Ala mutant in complex with Azolopyrimidine (2) | | Descriptor: | 2-C-methyl-D-erythritol 4-phosphate cytidylyltransferase, chloroplastic, 5-chloro-7-hydroxy-6-(phenylmethyl)pyrazolo[1,5-a]pyrimidine-3-carbonitrile, ... | | Authors: | Schwab, A, Illarionov, B, Frank, A, Kunfermann, A, Seet, M, Bacher, A, Witschel, M, Fischer, M, Groll, M, Diederich, F. | | Deposit date: | 2016-12-23 | | Release date: | 2017-07-19 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Mechanism of Allosteric Inhibition of the Enzyme IspD by Three Different Classes of Ligands.
ACS Chem. Biol., 12, 2017
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4U8M
 | | Structure of Aspergillus fumigatus UDP-Galactopyranose mutase mutant Y317A | | Descriptor: | 1,2-ETHANEDIOL, DIHYDROFLAVINE-ADENINE DINUCLEOTIDE, SULFATE ION, ... | | Authors: | Qureshi, I.A, Chaudhary, R, Tanner, J.J. | | Deposit date: | 2014-08-03 | | Release date: | 2014-12-03 | | Last modified: | 2025-03-12 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Contributions of Unique Active Site Residues of Eukaryotic UDP-Galactopyranose Mutases to Substrate Recognition and Active Site Dynamics.
Biochemistry, 53, 2014
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1UJ0
 | | Crystal Structure of STAM2 SH3 domain in complex with a UBPY-derived peptide | | Descriptor: | PHOSPHATE ION, deubiquitinating enzyme UBPY, signal transducing adaptor molecule (SH3 domain and ITAM motif) 2 | | Authors: | Kaneko, T, Kumasaka, T, Ganbe, T, Sato, T, Miyazawa, K, Kitamura, N, Tanaka, N. | | Deposit date: | 2003-07-24 | | Release date: | 2003-12-23 | | Last modified: | 2023-12-27 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Structural insight into modest binding of a non-PXXP ligand to the signal transducing adaptor molecule-2 Src homology 3 domain.
J.Biol.Chem., 278, 2003
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4U8K
 | | Structure of Aspergillus fumigatus UDP-Galactopyranose mutase mutant Q107A | | Descriptor: | 1,2-ETHANEDIOL, DIHYDROFLAVINE-ADENINE DINUCLEOTIDE, SULFATE ION, ... | | Authors: | Qureshi, I.A, Chaudhary, R, Tanner, J.J. | | Deposit date: | 2014-08-03 | | Release date: | 2014-12-03 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Contributions of Unique Active Site Residues of Eukaryotic UDP-Galactopyranose Mutases to Substrate Recognition and Active Site Dynamics.
Biochemistry, 53, 2014
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4U8J
 | | Structure of Aspergillus fumigatus UDP-Galactopyranose mutase mutant Y104A | | Descriptor: | 1,2-ETHANEDIOL, DIHYDROFLAVINE-ADENINE DINUCLEOTIDE, SULFATE ION, ... | | Authors: | Qureshi, I.A, Chaudhary, R, Tanner, J.J. | | Deposit date: | 2014-08-03 | | Release date: | 2014-12-03 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Contributions of Unique Active Site Residues of Eukaryotic UDP-Galactopyranose Mutases to Substrate Recognition and Active Site Dynamics.
Biochemistry, 53, 2014
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1RE2
 | | HUMAN LYSOZYME LABELLED WITH TWO 2',3'-EPOXYPROPYL BETA-GLYCOSIDE OF N-ACETYLLACTOSAMINE | | Descriptor: | GLYCEROL, PROTEIN (LYSOZYME), beta-D-galactopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose | | Authors: | Muraki, M, Harata, K, Sugita, N, Sato, K. | | Deposit date: | 1998-11-05 | | Release date: | 1999-05-05 | | Last modified: | 2024-12-25 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Dual affinity labeling of the active site of human lysozyme with an N-acetyllactosamine derivative: first ligand assisted recognition of the second ligand.
Biochemistry, 38, 1999
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6TRK
 | | Phl p 6 fold stabilized mutant - S46Y | | Descriptor: | Pollen allergen Phl p 6, ZINC ION | | Authors: | Soh, W.T, Brandstetter, H. | | Deposit date: | 2019-12-19 | | Release date: | 2020-08-12 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | In silico Design of Phl p 6 Variants With Altered Fold-Stability Significantly Impacts Antigen Processing, Immunogenicity and Immune Polarization.
Front Immunol, 11, 2020
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3NYQ
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1QJA
 | | 14-3-3 ZETA/PHOSPHOPEPTIDE COMPLEX (MODE 2) | | Descriptor: | 14-3-3 PROTEIN ZETA, PHOSPHOPEPTIDE | | Authors: | Rittinger, K, Budman, J, Xu, J, Volinia, S, Cantley, L.C, Smerdon, S.J, Gamblin, S.J, Yaffe, M.B. | | Deposit date: | 1999-06-23 | | Release date: | 1999-09-15 | | Last modified: | 2024-10-16 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Structural Analysis of 14-3-3 Phosphopeptide Complexes Identifies a Dual Role for the Nuclear Export Signal of 14-3-3 in Ligand Binding
Mol.Cell, 4, 1999
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2ZZD
 | | Recombinant thiocyanate hydrolase, air-oxidized form of holo-enzyme | | Descriptor: | COBALT (III) ION, L(+)-TARTARIC ACID, Thiocyanate hydrolase subunit alpha, ... | | Authors: | Arakawa, T, Kawano, Y, Katayama, Y, Yohda, M, Odaka, M. | | Deposit date: | 2009-02-09 | | Release date: | 2009-10-13 | | Last modified: | 2024-11-13 | | Method: | X-RAY DIFFRACTION (1.78 Å) | | Cite: | Structural Basis for Catalytic Activation of Thiocyanate Hydrolase Involving Metal-Ligated Cysteine Modification
J.Am.Chem.Soc., 131, 2009
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6ME5
 | | XFEL crystal structure of human melatonin receptor MT1 in complex with agomelatine | | Descriptor: | OLEIC ACID, chimera protein of Melatonin receptor type 1A and GlgA glycogen synthase, ~{N}-[2-(7-methoxynaphthalen-1-yl)ethyl]ethanamide | | Authors: | Stauch, B, Johansson, L.C, McCorvy, J.D, Patel, N, Han, G.W, Gati, C, Batyuk, A, Ishchenko, A, Brehm, W, White, T.A, Michaelian, N, Madsen, C, Zhu, L, Grant, T.D, Grandner, J.M, Olsen, R.H.J, Tribo, A.R, Weierstall, U, Roth, B.L, Katritch, V, Liu, W, Cherezov, V. | | Deposit date: | 2018-09-05 | | Release date: | 2019-04-24 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (3.2 Å) | | Cite: | Structural basis of ligand recognition at the human MT1melatonin receptor.
Nature, 569, 2019
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8SHJ
 | | Crystal structure of the WD-repeat domain of human WDR91 in complex with MR45279 | | Descriptor: | N-[3-(4-chlorophenyl)oxetan-3-yl]-4-[(3S)-3-hydroxypyrrolidin-1-yl]benzamide, WD repeat-containing protein 91 | | Authors: | Ahmad, H, Zeng, H, Dong, A, Li, Y, Hutchinson, A, Seitova, A, Xu, J, Feng, J.W, Brown, P.J, Ackloo, S, Arrowsmith, C.H, Edwards, A.M, Halabelian, L, Structural Genomics Consortium (SGC) | | Deposit date: | 2023-04-14 | | Release date: | 2023-07-05 | | Last modified: | 2024-05-01 | | Method: | X-RAY DIFFRACTION (2.21 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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1R23
 | | Crystal structure of the cyanobacterial metallothionein repressor SmtB in the Zn1-form (one Zn(II) per dimer) | | Descriptor: | Transcriptional repressor smtB, ZINC ION | | Authors: | Eicken, C, Pennella, M.A, Chen, X, Koshlap, K.M, VanZile, M.L, Sacchettini, J.C, Giedroc, D.P. | | Deposit date: | 2003-09-25 | | Release date: | 2004-05-18 | | Last modified: | 2023-08-23 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | A metal-ligand-mediated intersubunit allosteric switch in related SmtB/ArsR zinc sensor proteins.
J.Mol.Biol., 333, 2003
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2WAC
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8BZX
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6MU2
 | | Structure of full-length IP3R1 channel in the Apo-state | | Descriptor: | Inositol 1,4,5-trisphosphate receptor type 1 | | Authors: | Serysheva, I.I, Fan, G, Baker, M.R, Wang, Z, Seryshev, A, Ludtke, S.J, Baker, M.L. | | Deposit date: | 2018-10-22 | | Release date: | 2018-12-05 | | Last modified: | 2024-10-30 | | Method: | ELECTRON MICROSCOPY (3.9 Å) | | Cite: | Cryo-EM reveals ligand induced allostery underlying InsP3R channel gating.
Cell Res., 28, 2018
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6HKZ
 | | X-ray structure of human glutamate carboxypeptidase II (GCPII) in complex with a inhibitor RNA 2-49-1 | | Descriptor: | (2~{S})-2-[[(2~{S})-6-[2-[(6-fluoranylpyridin-3-yl)carbonylamino]ethyl-phenyl-amino]-1-oxidanyl-1,6-bis(oxidanylidene)hexan-2-yl]carbamoylamino]pentanedioic acid, 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, ... | | Authors: | Motlova, L, Novakova, Z, Barinka, C. | | Deposit date: | 2018-09-09 | | Release date: | 2018-12-05 | | Last modified: | 2024-10-23 | | Method: | X-RAY DIFFRACTION (2.09 Å) | | Cite: | 2-Aminoadipic Acid-C(O)-Glutamate Based Prostate-Specific Membrane Antigen Ligands for Potential Use as Theranostics.
ACS Med Chem Lett, 9, 2018
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2BAY
 | | Crystal structure of the Prp19 U-box dimer | | Descriptor: | Pre-mRNA splicing factor PRP19 | | Authors: | Vander Kooi, C.W, Ohi, M.D, Rosenberg, J.A, Oldham, M.L, Newcomer, M.E, Gould, K.L, Chazin, W.J. | | Deposit date: | 2005-10-15 | | Release date: | 2006-01-10 | | Last modified: | 2024-02-14 | | Method: | X-RAY DIFFRACTION (1.5 Å) | | Cite: | The Prp19 U-box Crystal Structure Suggests a Common Dimeric Architecture for a Class of Oligomeric E3 Ubiquitin Ligases.
Biochemistry, 45, 2006
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