2XCU
 
 | | Membrane-embedded monofunctional glycosyltransferase WaaA of Aquifex aeolicus, complex with CMP | | Descriptor: | 3-DEOXY-D-MANNO-2-OCTULOSONIC ACID TRANSFERASE, BETA-MERCAPTOETHANOL, CHLORIDE ION, ... | | Authors: | Schmidt, H, Hansen, G, Hilgenfeld, R, Mamat, U, Mesters, J.R. | | Deposit date: | 2010-04-26 | | Release date: | 2011-05-11 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (2.42 Å) | | Cite: | Structural and Mechanistic Analysis of the Membrane-Embedded Glycosyltransferase Waaa Required for Lipopolysaccharide Synthesis.
Proc.Natl.Acad.Sci.USA, 109, 2012
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5KZE
 | | N-acetylneuraminate lyase from methicillin-resistant Staphylococcus aureus | | Descriptor: | GLYCEROL, N-acetylneuraminate lyase, SULFATE ION | | Authors: | North, R.A, Watson, A.J.A, Pearce, F.G, Muscroft-Taylor, A.C, Friemann, R, Fairbanks, A.J, Dobson, R.C.J. | | Deposit date: | 2016-07-25 | | Release date: | 2017-01-11 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (1.74 Å) | | Cite: | Structure and inhibition of N-acetylneuraminate lyase from methicillin-resistant Staphylococcus aureus.
FEBS Lett., 590, 2016
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6W6P
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5I7O
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6W02
 | | Crystal Structure of ADP ribose phosphatase of NSP3 from SARS CoV-2 in the complex with ADP ribose | | Descriptor: | 1,2-ETHANEDIOL, ADENOSINE-5-DIPHOSPHORIBOSE, Non-structural protein 3 | | Authors: | Michalska, K, Kim, Y, Jedrzejczak, R, Maltseva, N, Endres, M, Mesecar, A, Joachimiak, A, Center for Structural Genomics of Infectious Diseases (CSGID) | | Deposit date: | 2020-02-28 | | Release date: | 2020-03-11 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (1.5 Å) | | Cite: | Crystal structures of SARS-CoV-2 ADP-ribose phosphatase: from the apo form to ligand complexes.
Iucrj, 7, 2020
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5IAY
 | | NMR structure of UHRF1 Tandem Tudor Domains in a complex with Spacer peptide | | Descriptor: | E3 ubiquitin-protein ligase UHRF1, Spacer | | Authors: | Fang, J, Cheng, J, Wang, J, Zhang, Q, Liu, M, Gong, R, Wang, P, Zhang, X, Feng, Y, Lan, W, Gong, Z, Tang, C, Wong, J, Yang, H, Cao, C, Xu, Y. | | Deposit date: | 2016-02-22 | | Release date: | 2016-04-20 | | Last modified: | 2024-05-01 | | Method: | SOLUTION NMR | | Cite: | Hemi-methylated DNA opens a closed conformation of UHRF1 to facilitate its histone recognition
Nat Commun, 7, 2016
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5ICE
 | | Crystal structure of (S)-norcoclaurine 6-O-methyltransferase with S-adenosyl-L-homocysteine and norlaudanosoline | | Descriptor: | (1S)-1-(3,4-dihydroxybenzyl)-1,2,3,4-tetrahydroisoquinoline-6,7-diol, (S)-norcoclaurine 6-O-methyltransferase, 1,2-ETHANEDIOL, ... | | Authors: | Robin, A.Y, Graindorge, M, Giustini, C, Dumas, R, Matringe, M. | | Deposit date: | 2016-02-23 | | Release date: | 2016-06-08 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | Crystal structure of norcoclaurine-6-O-methyltransferase, a key rate-limiting step in the synthesis of benzylisoquinoline alkaloids.
Plant J., 87, 2016
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3PS4
 | | PDZ domain from Human microtubule-associated serine/threonine-protein kinase 1 | | Descriptor: | 1,2-ETHANEDIOL, IMIDAZOLE, Microtubule-associated serine/threonine-protein kinase 1 | | Authors: | Ugochukwu, E, Wang, J, Krojer, T, Muniz, J.R.C, Sethi, R, Pike, A.C.W, Roos, A, Salah, E, Cocking, R, Savitsky, P, Doyle, D.A, von Delft, F, Bountra, C, Arrowsmith, C.H, Weigelt, J, Edwards, A, Knapp, S, Elkins, J.M, Structural Genomics Consortium (SGC) | | Deposit date: | 2010-11-30 | | Release date: | 2010-12-29 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (1.85 Å) | | Cite: | PDZ domain from Human microtubule-associated serine/threonine-protein kinase 1
TO BE PUBLISHED
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3PWD
 | | Crystal structure of maize CK2 in complex with NBC (Z1) | | Descriptor: | 8-hydroxy-4-methyl-9-nitro-2H-benzo[g]chromen-2-one, Casein kinase II subunit alpha | | Authors: | Battistutta, R, Mazzorana, M. | | Deposit date: | 2010-12-08 | | Release date: | 2011-11-02 | | Last modified: | 2024-03-20 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Structural features underlying the selectivity of the kinase inhibitors NBC and dNBC: role of a nitro group that discriminates between CK2 and DYRK1A
Cell.Mol.Life Sci., 69, 2012
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3PUT
 | | Crystal Structure of the CERT START domain (mutant V151E) from Rhizobium etli at the resolution 1.8A, Northeast Structural Genomics Consortium Target ReR239. | | Descriptor: | HEXANE-1,6-DIOL, Hypothetical conserved protein | | Authors: | Kuzin, A, Chen, Y, Seetharaman, J, Mao, M, Xiao, R, Ciccosanti, C, Wang, D, Everett, J.K, Nair, R, Acton, T.B, Rost, B, Montelione, G.T, Tong, L, Hunt, J.F, Northeast Structural Genomics Consortium (NESG) | | Deposit date: | 2010-12-06 | | Release date: | 2010-12-22 | | Last modified: | 2023-12-06 | | Method: | X-RAY DIFFRACTION (1.828 Å) | | Cite: | Crystal Structure of the CERT START domain (mutant V151E) from Rhizobium etli at the resolution 1.8A, Northeast Structural Genomics Consortium Target ReR239.
To be Published
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5IMH
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5IN3
 | | Crystal structure of glucose-1-phosphate bound nucleotidylated human galactose-1-phosphate uridylyltransferase | | Descriptor: | 1,2-ETHANEDIOL, 1-O-phosphono-alpha-D-glucopyranose, 5,6-DIHYDROURIDINE-5'-MONOPHOSPHATE, ... | | Authors: | Kopec, J, McCorvie, T, Tallant, C, Velupillai, S, Shrestha, L, Fitzpatrick, F, Patel, D, Chalk, R, Burgess-Brown, N, von Delft, F, Arrowsmith, C, Edwards, A, Bountra, C, Yue, W.W. | | Deposit date: | 2016-03-07 | | Release date: | 2016-03-30 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (1.73 Å) | | Cite: | Molecular basis of classic galactosemia from the structure of human galactose 1-phosphate uridylyltransferase.
Hum.Mol.Genet., 25, 2016
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5INH
 | | Crystal structure of Autotaxin/ENPP2 with a covalent fragment | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ACETATE ION, ... | | Authors: | Klein, M.G, Tjhen, R. | | Deposit date: | 2016-03-07 | | Release date: | 2017-03-15 | | Last modified: | 2020-07-29 | | Method: | X-RAY DIFFRACTION (1.84 Å) | | Cite: | Repurposing Suzuki Coupling Reagents as a Directed Fragment Library Targeting Serine Hydrolases and Related Enzymes.
J. Med. Chem., 60, 2017
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1T8O
 | | CRYSTAL STRUCTURE OF THE P1 TRP BPTI MUTANT- BOVINE CHYMOTRYPSIN COMPLEX | | Descriptor: | Chymotrypsin A, Pancreatic trypsin inhibitor, SULFATE ION | | Authors: | Czapinska, H, Helland, R, Otlewski, J, Smalas, A.O. | | Deposit date: | 2004-05-13 | | Release date: | 2005-03-08 | | Last modified: | 2023-08-23 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Crystal structures of five bovine chymotrypsin complexes with P1 BPTI variants.
J.Mol.Biol., 344, 2004
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5IMQ
 | | Structure of ribosome bound to cofactor at 3.8 angstrom resolution | | Descriptor: | 16S ribosomal RNA, 23S ribosomal RNA, 30S ribosomal protein S10, ... | | Authors: | Kumar, V, Ero, R, Jian, G.K, Ahmed, T, Zhan, Y, Bhushan, S, Gao, Y.G. | | Deposit date: | 2016-03-06 | | Release date: | 2016-05-18 | | Last modified: | 2019-12-18 | | Method: | ELECTRON MICROSCOPY (3.8 Å) | | Cite: | Structure of the GTP Form of Elongation Factor 4 (EF4) Bound to the Ribosome
J.Biol.Chem., 291, 2016
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5IQX
 | | 1.05A resolution structure of Holo HasAp (R33A) from Pseudomonas aeruginosa | | Descriptor: | D-MALATE, Heme acquisition protein HasAp, PROTOPORPHYRIN IX CONTAINING FE, ... | | Authors: | Kumar, R, Lovell, S, Battaile, K.P, Yao, H, Rivera, M. | | Deposit date: | 2016-03-11 | | Release date: | 2016-04-20 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (1.05 Å) | | Cite: | Replacing Arginine 33 for Alanine in the Hemophore HasA from Pseudomonas aeruginosa Causes Closure of the H32 Loop in the Apo-Protein.
Biochemistry, 55, 2016
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1CWQ
 | | M INTERMEDIATE STRUCTURE OF THE WILD TYPE BACTERIORHODOPSIN IN COMBINATION WITH THE GROUND STATE STRUCTURE | | Descriptor: | BACTERIORHODOPSIN ("M" STATE INTERMEDIATE IN COMBINATION WITH GROUND STATE), HEXANE, N-OCTANE, ... | | Authors: | Sass, H.J, Berendzen, J, Neff, D, Gessenich, R, Ormos, P, Bueldt, G. | | Deposit date: | 1999-08-26 | | Release date: | 1999-10-20 | | Last modified: | 2024-06-12 | | Method: | X-RAY DIFFRACTION (2.25 Å) | | Cite: | Structural alterations for proton translocation in the M state of wild-type bacteriorhodopsin.
Nature, 406, 2000
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5IRA
 | | Expanding Nature's Catalytic Repertoire -Directed Evolution of an Artificial Metalloenzyme for In Vivo Metathesis | | Descriptor: | Artificial Metathesase, [1-[4-[[5-[(3~{a}~{S},4~{S},6~{a}~{R})-2-oxidanylidene-1,3,3~{a},4,6,6~{a}-hexahydrothieno[3,4-d]imidazol-4-yl]pentanoylamino]methyl]-2,6-dimethyl-phenyl]-3-(2,4,6-trimethylphenyl)-4,5-dihydroimidazol-1-ium-2-yl]-bis(chloranyl)ruthenium | | Authors: | Heinisch, T, Jeschek, M, Reuter, R, Trindler, C, Panke, S, Ward, T.R. | | Deposit date: | 2016-03-12 | | Release date: | 2016-08-31 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (1.5 Å) | | Cite: | Directed evolution of artificial metalloenzymes for in vivo metathesis.
Nature, 537, 2016
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5IQO
 | | Crystal structure of the E. coli type 1 pilus subunit FimG (engineered variant with substitutions Q134E and S138E; N-terminal FimG residues 1-12 truncated) in complex with the donor strand peptide DsF_T4R-T6R-D13N | | Descriptor: | 1,2-ETHANEDIOL, COBALT (II) ION, PENTAETHYLENE GLYCOL, ... | | Authors: | Giese, C, Eras, J, Kern, A, Capitani, G, Glockshuber, R. | | Deposit date: | 2016-03-11 | | Release date: | 2016-07-06 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (1.302 Å) | | Cite: | Accelerating the Association of the Most Stable Protein-Ligand Complex by More than Two Orders of Magnitude.
Angew.Chem.Int.Ed.Engl., 55, 2016
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6VTX
 | | Crystal structure of human KLF4 zinc finger DNA binding domain in complex with NANOG DNA | | Descriptor: | DNA (5'-D(*AP*GP*GP*GP*GP*GP*TP*GP*TP*GP*CP*C)-3'), DNA (5'-D(*GP*GP*CP*AP*CP*AP*CP*CP*CP*CP*CP*T)-3'), Krueppel-like factor 4, ... | | Authors: | Sharma, R, Sharma, S, Choi, K.J, Ferreon, A.C.M, Ferreon, J.C, Sankaran, B, MacKenzie, K.R, Kim, C. | | Deposit date: | 2020-02-13 | | Release date: | 2021-09-01 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (2.14 Å) | | Cite: | Liquid condensation of reprogramming factor KLF4 with DNA provides a mechanism for chromatin organization.
Nat Commun, 12, 2021
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5IQW
 | | 1.95A resolution structure of Apo HasAp (R33A) from Pseudomonas aeruginosa | | Descriptor: | ACETATE ION, CADMIUM ION, Heme acquisition protein HasAp | | Authors: | Kumar, R, Lovell, S, Battaile, K.P, Yao, H, Rivera, M. | | Deposit date: | 2016-03-11 | | Release date: | 2016-04-20 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (1.95 Å) | | Cite: | Replacing Arginine 33 for Alanine in the Hemophore HasA from Pseudomonas aeruginosa Causes Closure of the H32 Loop in the Apo-Protein.
Biochemistry, 55, 2016
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4KDZ
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6WCF
 | | Crystal Structure of ADP ribose phosphatase of NSP3 from SARS-CoV-2 in complex with MES | | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, Non-structural protein 3 | | Authors: | Michalska, K, Kim, Y, Jedrzejczak, R, Maltseva, N, Endres, M, Mesecar, A, Joachimiak, A, Center for Structural Genomics of Infectious Diseases (CSGID) | | Deposit date: | 2020-03-30 | | Release date: | 2020-04-15 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (1.065 Å) | | Cite: | Crystal structures of SARS-CoV-2 ADP-ribose phosphatase: from the apo form to ligand complexes.
Iucrj, 7, 2020
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4KKN
 | | Crystal structure of bovine CTLA-4, PSI-NYSGRC-012704 | | Descriptor: | Cytotoxic T-lymphocyte associated protein 4, alpha-D-mannopyranose-(1-3)-beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose | | Authors: | Kumar, P.R, Ahmed, M, Banu, R, Bhosle, R, Bonanno, J, Calarese, D.A, Celikgil, A, Chamala, S, Chan, M.K, Chowdhury, S, Fiser, A, Garforth, S.J, Scott Glenn, A, Hammonds, J, Hillerich, B, Khafizov, K, Lafleur, J, Attonito, J, Love, J.D, Patel, H, Patel, R, Seidel, R.D, Smith, B, Stead, M, Toro, R, Casadevall, A, Almo, S.C, New York Structural Genomics Research Consortium (NYSGRC), Atoms-to-Animals: The Immune Function Network (IFN) | | Deposit date: | 2013-05-06 | | Release date: | 2013-06-12 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (2.253 Å) | | Cite: | Crystal structure of bovine CTLA-4, PSI-NYSGRC-012704
to be published
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1SUX
 | | CRYSTALLOGRAPHIC ANALYSIS OF THE COMPLEX BETWEEN TRIOSEPHOSPHATE ISOMERASE FROM TRYPANOSOMA CRUZI AND 3-(2-benzothiazolylthio)-1-propanesulfonic acid | | Descriptor: | 3-(2-BENZOTHIAZOLYLTHIO)-1-PROPANESULFONIC ACID, SULFATE ION, Triosephosphate isomerase, ... | | Authors: | Tellez-Valencia, A, Olivares-Illana, V, Hernandez-Santoyo, A, Perez-Montfort, R, Costas, M, Rodriguez-Romero, A, Tuena De Gomez-Puyou, M, Gomez-Puyou, A. | | Deposit date: | 2004-03-26 | | Release date: | 2004-08-24 | | Last modified: | 2023-08-23 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Inactivation of triosephosphate isomerase from Trypanosoma cruzi by an agent that perturbs its dimer interface.
J.Mol.Biol., 341, 2004
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