4IYM
 
 | | Crystal structure of putative methylmalonate-semialdehyde dehydrogenase from Sinorhizobium meliloti 1021 complexed with NAD, target 011934 | | Descriptor: | MAGNESIUM ION, Methylmalonate-semialdehyde dehydrogenase, NICOTINAMIDE-ADENINE-DINUCLEOTIDE | | Authors: | Malashkevich, V.N, Bhosle, R, Toro, R, Hillerich, B, Gizzi, A, Garforth, S, Kar, A, Chan, M.K, Lafluer, J, Patel, H, Matikainen, B, Chamala, S, Lim, S, Celikgil, A, Villegas, G, Evans, B, Zenchek, W, Love, J, Fiser, A, Khafizov, K, Seidel, R, Bonanno, J.B, Almo, S.C, New York Structural Genomics Research Consortium (NYSGRC) | | Deposit date: | 2013-01-28 | | Release date: | 2013-04-03 | | Last modified: | 2023-12-06 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Crystal structure of putative methylmalonate-semialdehyde dehydrogenase from Sinorhizobium meliloti 1021 complexed with NAD, target 011934
To be Published
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7Z47
 | | Tail of bacteriophage SU10 | | Descriptor: | Adaptor protein, Putative structural protein, Putative tail fiber, ... | | Authors: | Siborova, M, Fuzik, T, Prochazkova, M, Novacek, J, Plevka, P. | | Deposit date: | 2022-03-03 | | Release date: | 2022-08-10 | | Last modified: | 2024-07-17 | | Method: | ELECTRON MICROSCOPY (3.8 Å) | | Cite: | Tail proteins of phage SU10 reorganize into the nozzle for genome delivery.
Nat Commun, 13, 2022
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7Z48
 | | Bottom part (C5) of bacteriophage SU10 capsid | | Descriptor: | Major head protein | | Authors: | Siborova, M, Fuzik, T, Prochazkova, M, Novacek, J, Plevka, P. | | Deposit date: | 2022-03-03 | | Release date: | 2022-08-10 | | Last modified: | 2024-07-17 | | Method: | ELECTRON MICROSCOPY (4 Å) | | Cite: | Tail proteins of phage SU10 reorganize into the nozzle for genome delivery.
Nat Commun, 13, 2022
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7Z44
 | | Portal of bacteriophage SU10 | | Descriptor: | Portal protein | | Authors: | Siborova, M, Fuzik, T, Prochazkova, M, Novacek, J, Plevka, P. | | Deposit date: | 2022-03-03 | | Release date: | 2022-08-10 | | Last modified: | 2024-07-17 | | Method: | ELECTRON MICROSCOPY (3.6 Å) | | Cite: | Tail proteins of phage SU10 reorganize into the nozzle for genome delivery.
Nat Commun, 13, 2022
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4J3Z
 | | Crystal structure of mandelate racemase/muconate lactonizing enzyme from Jannaschia sp. CCS1 | | Descriptor: | Mandelate racemase/muconate lactonizing enzyme | | Authors: | Malashkevich, V.N, Bhosle, R, Toro, R, Hillerich, B, Gizzi, A, Garforth, S, Kar, A, Chan, M.K, Lafluer, J, Patel, H, Matikainen, B, Chamala, S, Lim, S, Celikgil, A, Villegas, G, Evans, B, Zenchek, W, Love, J, Fiser, A, Khafizov, K, Seidel, R, Bonanno, J.B, Almo, S.C, New York Structural Genomics Research Consortium (NYSGRC) | | Deposit date: | 2013-02-06 | | Release date: | 2013-03-06 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Crystal structure of mandelate racemase/muconate lactonizing enzyme from Jannaschia sp. CCS1
To be Published
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7Z4F
 | | Tail of phage SU10 genome release intermediate | | Descriptor: | Adaptor protein, Portal protein, Putative structural protein, ... | | Authors: | Siborova, M, Fuzik, T, Prochazkova, M, Novacek, J, Plevka, P. | | Deposit date: | 2022-03-03 | | Release date: | 2022-08-17 | | Last modified: | 2024-07-17 | | Method: | ELECTRON MICROSCOPY (4.2 Å) | | Cite: | Tail proteins of phage SU10 reorganize into the nozzle for genome delivery.
Nat Commun, 13, 2022
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7Z4A
 | | Bacteriophage SU10 tail and bottom part of the capsid (C1) | | Descriptor: | Adaptor protein, Major head protein, Portal protein, ... | | Authors: | Siborova, M, Fuzik, T, Prochazkova, M, Novacek, J, Plevka, P. | | Deposit date: | 2022-03-03 | | Release date: | 2022-08-17 | | Last modified: | 2024-07-17 | | Method: | ELECTRON MICROSCOPY (4.6 Å) | | Cite: | Tail proteins of phage SU10 reorganize into the nozzle for genome delivery.
Nat Commun, 13, 2022
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4IX1
 | | Crystal structure of hypothetical protein OPAG_01669 from Rhodococcus Opacus PD630, Target 016205 | | Descriptor: | PHOSPHATE ION, hypothetical protein | | Authors: | Malashkevich, V.N, Bhosle, R, Toro, R, Hillerich, B, Gizzi, A, Garforth, S, Kar, A, Chan, M.K, Lafluer, J, Patel, H, Matikainen, B, Chamala, S, Lim, S, Celikgil, A, Villegas, G, Evans, B, Zenchek, W, Love, J, Fiser, A, Khafizov, K, Seidel, R, Bonanno, J.B, Almo, S.C, New York Structural Genomics Research Consortium (NYSGRC) | | Deposit date: | 2013-01-24 | | Release date: | 2013-02-06 | | Last modified: | 2013-05-08 | | Method: | X-RAY DIFFRACTION (2.8 Å) | | Cite: | Crystal structure of hypothetical protein OPAG_01669 from Rhodococcus Opacus PD630, Target 016205
To be Published
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7Z4B
 | | Bacteriophage SU10 virion (C1) | | Descriptor: | Adaptor, Major head protein, Portal protein, ... | | Authors: | Siborova, M, Fuzik, T, Prochazkova, M, Novacek, J, Plevka, P. | | Deposit date: | 2022-03-03 | | Release date: | 2022-12-28 | | Method: | ELECTRON MICROSCOPY (7.4 Å) | | Cite: | Tail proteins of phage SU10 reorganize into the nozzle for genome delivery.
Nat Commun, 13, 2022
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6CED
 | | Crystal structure of fragment 3-(3-Methyl-4-oxo-3,4-dihydroquinazolin-2-yl)propanoic acid bound in the ubiquitin binding pocket of the HDAC6 zinc-finger domain | | Descriptor: | 3-(3-methyl-4-oxo-3,4-dihydroquinazolin-2-yl)propanoic acid, Histone deacetylase 6, UNKNOWN ATOM OR ION, ... | | Authors: | Harding, R.J, Halabelian, L, Ferreira de Freitas, R, Franzoni, I, Ravichandran, M, Lautens, M, Santhakumar, V, Schapira, M, Bountra, C, Edwards, A.M, Arrowsmith, C.M, Structural Genomics Consortium (SGC) | | Deposit date: | 2018-02-11 | | Release date: | 2018-02-28 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Identification and Structure-Activity Relationship of HDAC6 Zinc-Finger Ubiquitin Binding Domain Inhibitors.
J. Med. Chem., 61, 2018
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1XBA
 | | Crystal structure of apo syk tyrosine kinase domain | | Descriptor: | Tyrosine-protein kinase SYK | | Authors: | Atwell, S, Adams, J.M, Badger, J, Buchanan, M.D, Feil, I.K, Froning, K.J, Gao, X, Hendle, J, Keegan, K, Leon, B.C, Muller-Deickmann, H.J, Nienaber, V.L, Noland, B.W, Post, K, Rajashankar, K.R, Ramos, A, Russell, M, Burley, S.K, Buchanan, S.G. | | Deposit date: | 2004-08-30 | | Release date: | 2004-11-02 | | Last modified: | 2024-02-14 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | A novel mode of Gleevec binding is revealed by the structure of spleen tyrosine kinase.
J.Biol.Chem., 279, 2004
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5ORL
 | | Crystal structure of Aurora-A kinase in complex with an allosterically binding fragment | | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, Aurora kinase A, CHLORIDE ION, ... | | Authors: | McIntyre, P.J, Collins, P.M, Vrzal, L, Birchall, K, Arnold, L.H, Mpamhanga, C, Coombs, P.J, Burgess, S.G, Richards, M.W, Winter, A, Veverka, V, von Delft, F, Merritt, A, Bayliss, R. | | Deposit date: | 2017-08-16 | | Release date: | 2017-11-01 | | Last modified: | 2017-11-29 | | Method: | X-RAY DIFFRACTION (1.69 Å) | | Cite: | Characterization of Three Druggable Hot-Spots in the Aurora-A/TPX2 Interaction Using Biochemical, Biophysical, and Fragment-Based Approaches.
ACS Chem. Biol., 12, 2017
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7C14
 | | Crystal structure of a dinucleotide-binding protein (Q274A) of ABC transporter endogenously bound to uridylyl-3'-5'-phospho-guanosine (Form I) | | Descriptor: | 1,2-ETHANEDIOL, DI(HYDROXYETHYL)ETHER, GLYCEROL, ... | | Authors: | Kanaujia, S.P, Chandravanshi, M, Samanta, R. | | Deposit date: | 2020-05-02 | | Release date: | 2021-03-10 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Structural and thermodynamic insights into the novel dinucleotide-binding protein of ABC transporter unveils its moonlighting function.
Febs J., 288, 2021
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7C0Z
 | | Crystal structure of a dinucleotide-binding protein (Y246A) of ABC transporter endogenously bound to uridylyl-3'-5'-phospho-guanosine (Form II) | | Descriptor: | 1,2-ETHANEDIOL, Sugar ABC transporter, periplasmic sugar-binding protein, ... | | Authors: | Kanaujia, S.P, Chandravanshi, M, Samanta, R. | | Deposit date: | 2020-05-01 | | Release date: | 2021-03-10 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Structural and thermodynamic insights into the novel dinucleotide-binding protein of ABC transporter unveils its moonlighting function.
Febs J., 288, 2021
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7C1B
 | | Crystal structure of a dinucleotide-binding protein (F79A/Y224A/Y246A and deletion of residues 50-75) of ABC transporter (unbound form) | | Descriptor: | 1,2-ETHANEDIOL, DI(HYDROXYETHYL)ETHER, Sugar ABC transporter, ... | | Authors: | Kanaujia, S.P, Chandravanshi, M, Samanta, R. | | Deposit date: | 2020-05-02 | | Release date: | 2021-03-10 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Structural and thermodynamic insights into the novel dinucleotide-binding protein of ABC transporter unveils its moonlighting function.
Febs J., 288, 2021
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7JSD
 | | Hydroxylase homolog of BesD with Fe(II), alpha-ketoglutarate, and lysine | | Descriptor: | 2-OXOGLUTARIC ACID, FE (II) ION, LYSINE, ... | | Authors: | Kissman, E.N, Neugebauer, M.E, Chang, M.C.Y. | | Deposit date: | 2020-08-14 | | Release date: | 2021-08-25 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Reaction pathway engineering converts a radical hydroxylase into a halogenase.
Nat.Chem.Biol., 18, 2022
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7C0W
 | | Crystal structure of a dinucleotide-binding protein (Y224A) of ABC transporter endogenously bound to uridylyl-3'-5'-phospho-guanosine (Form II) | | Descriptor: | 1,2-ETHANEDIOL, CARBON DIOXIDE, GLYCEROL, ... | | Authors: | Kanaujia, S.P, Chandravanshi, M, Samanta, R. | | Deposit date: | 2020-05-01 | | Release date: | 2021-03-10 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Structural and thermodynamic insights into the novel dinucleotide-binding protein of ABC transporter unveils its moonlighting function.
Febs J., 288, 2021
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6MP4
 | | Human liver FABP1 bound to tetrahydrocannabinol | | Descriptor: | (6aR,10aR)-6,6,9-trimethyl-3-pentyl-6a,7,8,10a-tetrahydro-6H-benzo[c]chromen-1-ol, Fatty acid-binding protein, liver, ... | | Authors: | McGoldrick, L.L, Giuliano, C.J, Elmes, M.W, Deutsch, D.G, Kaczocha, M, Glynn, S.E. | | Deposit date: | 2018-10-05 | | Release date: | 2019-11-13 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (2.502 Å) | | Cite: | FABP1 controls hepatic transport and biotransformation of Delta 9 -THC.
Sci Rep, 9, 2019
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6CEA
 | | Crystal structure of fragment 3-(quinolin-2-yl)propanoic acid bound in the ubiquitin binding pocket of the HDAC6 zinc-finger domain | | Descriptor: | 3-(quinolin-2-yl)propanoic acid, Histone deacetylase 6, UNKNOWN ATOM OR ION, ... | | Authors: | Harding, R.J, Halabelian, L, Ferreira de Freitas, R, Ravichandran, M, Santhakumar, V, Schapira, M, Bountra, C, Edwards, A.M, Arrowsmith, C.M, Structural Genomics Consortium (SGC) | | Deposit date: | 2018-02-11 | | Release date: | 2018-02-28 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | Identification and Structure-Activity Relationship of HDAC6 Zinc-Finger Ubiquitin Binding Domain Inhibitors.
J. Med. Chem., 61, 2018
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6CEE
 | | Crystal structure of fragment 3-(1-Methyl-2-oxo-1,2-dihydroquinoxalin-3-yl)propionic acid bound in the ubiquitin binding pocket of the HDAC6 zinc-finger domain | | Descriptor: | 3-(4-methyl-3-oxo-3,4-dihydroquinoxalin-2-yl)propanoic acid, Histone deacetylase 6, UNKNOWN ATOM OR ION, ... | | Authors: | Harding, R.J, Halabelian, L, Ferreira de Freitas, R, Franzoni, I, Ravichandran, M, Lautens, M, Santhakumar, V, Schapira, M, Bountra, C, Edwards, A.M, Arrowsmith, C.M, Structural Genomics Consortium (SGC) | | Deposit date: | 2018-02-11 | | Release date: | 2018-02-28 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (1.55 Å) | | Cite: | Identification and Structure-Activity Relationship of HDAC6 Zinc-Finger Ubiquitin Binding Domain Inhibitors.
J. Med. Chem., 61, 2018
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1BG0
 | | TRANSITION STATE STRUCTURE OF ARGININE KINASE | | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, ARGININE KINASE, D-ARGININE, ... | | Authors: | Zhou, G, Somasundaram, T, Blanc, E, Parthasarathy, G, Ellington, W.R, Chapman, M.S. | | Deposit date: | 1998-06-03 | | Release date: | 1998-10-14 | | Last modified: | 2024-05-22 | | Method: | X-RAY DIFFRACTION (1.86 Å) | | Cite: | Transition state structure of arginine kinase: implications for catalysis of bimolecular reactions.
Proc.Natl.Acad.Sci.USA, 95, 1998
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4K9Z
 | | Crystal structure of a putative thiol-disulfide oxidoreductase from Bacteroides vulgatus (target NYSGRC-011676), space group P6222 | | Descriptor: | CHLORIDE ION, Putative thiol-disulfide oxidoreductase | | Authors: | Vetting, M.W, Patskovsky, Y, Toro, R, Bhosle, R, Hillerich, B, Gizzi, A, Garforth, S, Kar, A, Chan, M.K, Lafluer, J, Patel, H, Matikainen, B, Chamala, S, Lim, S, Celikgil, A, Villegas, G, Evans, B, Love, J, Fiser, A, Khafizov, K, Seidel, R.D, Bonanno, J.B, Armstrong, R.N, Almo, S.C, New York Structural Genomics Research Consortium (NYSGRC) | | Deposit date: | 2013-04-21 | | Release date: | 2013-07-10 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Crystal structure of a putative thiol-disulfide oxidoreductase from Bacteroides vulgatus (target NYSGRC-011676), space group P6222
To be Published
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6CE6
 | | Structure of HDAC6 zinc-finger ubiquitin binding domain soaked with 3,3'-(benzo[1,2-d:5,4-d']bis(thiazole)-2,6-diyl)dipropionic acid | | Descriptor: | 3,3'-(benzo[1,2-d:5,4-d']bis[1,3]thiazole-2,6-diyl)dipropanoic acid, Histone deacetylase 6, UNKNOWN ATOM OR ION, ... | | Authors: | Harding, R.J, Halabelian, L, Ferreira de Freitas, R, Ravichandran, M, Santhakumar, V, Schapira, M, Bountra, C, Edwards, A.M, Arrowsmith, C.M, Structural Genomics Consortium (SGC) | | Deposit date: | 2018-02-11 | | Release date: | 2018-02-28 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | Identification and Structure-Activity Relationship of HDAC6 Zinc-Finger Ubiquitin Binding Domain Inhibitors.
J. Med. Chem., 61, 2018
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5IG3
 | | Crystal structure of the human CaMKII-alpha hub | | Descriptor: | Calcium/calmodulin-dependent protein kinase type II subunit alpha | | Authors: | McSpadden, E, Cao, Y.M, Bhattacharyya, M, Gee, C.L, Barros, T, Kuriyan, J. | | Deposit date: | 2016-02-26 | | Release date: | 2016-03-23 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (2.75 Å) | | Cite: | Molecular mechanism of activation-triggered subunit exchange in Ca(2+)/calmodulin-dependent protein kinase II.
Elife, 5, 2016
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7Z49
 | | The capsid of bacteriophage SU10. | | Descriptor: | Major head protein | | Authors: | Siborova, M, Fuzik, T, Prochazkova, M, Novacek, J, Plevka, P. | | Deposit date: | 2022-03-03 | | Release date: | 2022-10-05 | | Last modified: | 2023-04-19 | | Method: | ELECTRON MICROSCOPY (4.2 Å) | | Cite: | Tail proteins of phage SU10 reorganize into the nozzle for genome delivery.
Nat Commun, 13, 2022
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