5B28
 
 | | The 0.90A structure of human FABP3 F16V mutant complexed with palmitic acid | | Descriptor: | Fatty acid-binding protein, heart, PALMITIC ACID, ... | | Authors: | Matsuoka, D, Sugiyama, S, Kakinouchi, K, Niiyama, M, Murata, M, Matsuoka, S. | | Deposit date: | 2016-01-12 | | Release date: | 2017-01-18 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (0.9 Å) | | Cite: | The 0.90A structure of human FABP3 F16V mutant complexed with palmitic acid.
To Be Published
|
|
7ZXB
 | | Crystal structure of human STING in complex with 3',3'-c-(2'dAMP-2'F,2'dAMP) | | Descriptor: | 9-[(1~{R},6~{R},8~{R},10~{S},15~{R},17~{R},18~{S})-8-(6-aminopurin-9-yl)-18-fluoranyl-3,12-bis(oxidanyl)-3,12-bis(oxidanylidene)-2,4,7,11,13-pentaoxa-3$l^{5},12$l^{5}-diphosphatricyclo[13.3.0.0^{6,10}]octadecan-17-yl]purin-6-amine, Stimulator of interferon protein | | Authors: | Klima, M, Smola, M, Boura, E. | | Deposit date: | 2022-05-20 | | Release date: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (3 Å) | | Cite: | Crystal structure of human STING in complex with 3',3'-c-(2'dAMP-2'F,2'dAMP)
To Be Published
|
|
4JYC
 | | MeaB, A Bacterial Homolog of MMAA, in its Apo form | | Descriptor: | GUANOSINE-5'-DIPHOSPHATE, Methylmalonyl-CoA mutase accessory protein | | Authors: | Koutmos, M, Lofgren, M, Padovani, D, Banerjee, R. | | Deposit date: | 2013-03-29 | | Release date: | 2013-07-24 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | A switch III motif relays signaling between a B12 enzyme and its G-protein chaperone.
Nat.Chem.Biol., 9, 2013
|
|
5M5B
 | | Crystal structure of Zika virus NS5 methyltransferase | | Descriptor: | CHLORIDE ION, GLYCEROL, NS5 methyltransferase, ... | | Authors: | Barral, K, Ortiz Lombardia, M, Coutard, B, Decroly, E, Lichiere, J. | | Deposit date: | 2016-10-21 | | Release date: | 2016-12-28 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (2.01 Å) | | Cite: | Zika Virus Methyltransferase: Structure and Functions for Drug Design Perspectives.
J. Virol., 91, 2017
|
|
7ZVK
 | | Crystal structure of human STING in complex with 3',3'-c-(2'F,2'dAMP-IMP) | | Descriptor: | 9-[(1~{R},6~{R},8~{R},9~{R},10~{R},15~{R},17~{R},18~{S})-8-(6-aminopurin-9-yl)-9-fluoranyl-3,12,18-tris(oxidanyl)-3,12-bis(oxidanylidene)-2,4,7,11,13-pentaoxa-3$l^{5},12$l^{5}-diphosphatricyclo[13.3.0.0^{6,10}]octadecan-17-yl]-3~{H}-purin-6-one, Stimulator of interferon protein | | Authors: | Klima, M, Smola, M, Boura, E. | | Deposit date: | 2022-05-16 | | Release date: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (2.83 Å) | | Cite: | Crystal structure of human STING in complex with 3',3'-c-(2'F,2'dAMP-IMP)
To Be Published
|
|
4JXU
 | | Structure of aminotransferase ilvE2 from Sinorhizobium meliloti complexed with PLP | | Descriptor: | Putative aminotransferase | | Authors: | Cooper, D.R, Cymborowski, M.T, Majorek, K.A, Niedzialkowska, E, Porebski, P.J, Stead, M, Hammonds, J, Seidel, R, Ahmed, M, Bonanno, J.B, Almo, S.C, Minor, W, New York Structural Genomics Research Consortium (NYSGRC) | | Deposit date: | 2013-03-28 | | Release date: | 2013-05-29 | | Last modified: | 2022-04-13 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Structure of aminotransferase ilvE2 from Sinorhizobium meliloti complexed with PLP
To be Published
|
|
4JYB
 | | MeaB, A Bacterial Homolog of MMAA, Bound to GMPPNP | | Descriptor: | Methylmalonyl-CoA mutase accessory protein, PHOSPHOAMINOPHOSPHONIC ACID-GUANYLATE ESTER | | Authors: | Koutmos, M, Lofgren, M, Padovani, D, Banerjee, R. | | Deposit date: | 2013-03-29 | | Release date: | 2013-07-24 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | A switch III motif relays signaling between a B12 enzyme and its G-protein chaperone.
Nat.Chem.Biol., 9, 2013
|
|
6G8H
 | | Flavonoid-responsive Regulator FrrA in complex with (R,S)-Naringenin | | Descriptor: | 2-[N-CYCLOHEXYLAMINO]ETHANE SULFONIC ACID, NARINGENIN, R-naringenin, ... | | Authors: | Werner, N, Hoppen, J, Palm, G, Werten, S, Goettfert, M, Hinrichs, W. | | Deposit date: | 2018-04-08 | | Release date: | 2019-04-17 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (2.6 Å) | | Cite: | The induction mechanism of the flavonoid-responsive regulator FrrA.
Febs J., 2021
|
|
5AQT
 | | Fragment-based screening of HSP70 sheds light on the functional role of ATP-binding site residues | | Descriptor: | (1S,2R,3R,5R)-3-(hydroxymethyl)-5-(quinazolin-4-ylamino)cyclopentane-1,2-diol, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, BAG FAMILY MOLECULAR CHAPERONE REGULATOR 1, ... | | Authors: | Jones, A.M, Westwood, I.M, Osborne, J.D, Matthews, T.P, Cheeseman, M.D, Rowlands, M.G, Jeganathan, F, Burke, R, Lee, D, Kadi, N, Liu, M, Richards, M, McAndrew, C, Yahya, N, Dobson, S.E, Jones, K, Workman, P, Collins, I, van Montfort, R.L.M. | | Deposit date: | 2015-09-22 | | Release date: | 2016-10-05 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | A fragment-based approach applied to a highly flexible target: Insights and challenges towards the inhibition of HSP70 isoforms.
Sci Rep, 6, 2016
|
|
6TS5
 | | Coagulation factor XI protease domain in complex with active site inhibitor | | Descriptor: | 2-[2-[3-[(3~{S})-3-azanyl-2,3-dihydro-1-benzofuran-5-yl]-5-propan-2-yl-phenyl]ethoxy]-3-methoxy-benzoic acid, Coagulation factor XI, DIMETHYL SULFOXIDE, ... | | Authors: | Renatus, M, Schiering, N. | | Deposit date: | 2019-12-20 | | Release date: | 2020-07-08 | | Last modified: | 2024-05-01 | | Method: | X-RAY DIFFRACTION (1.29 Å) | | Cite: | Structure-Based Design and Preclinical Characterization of Selective and Orally Bioavailable Factor XIa Inhibitors: Demonstrating the Power of an Integrated S1 Protease Family Approach.
J.Med.Chem., 63, 2020
|
|
8A2X
 | | Crystal structure of human STING in complex with 3',3'-c-(2'F,2'dAMP(S)-2'F,2'dAMP(S)) | | Descriptor: | 9-[(1~{R},3~{R},6~{R},8~{R},9~{R},10~{R},12~{R},15~{R},17~{R},18~{S})-8-(6-aminopurin-9-yl)-9,18-bis(fluoranyl)-3,12-bis(oxidanylidene)-3,12-bis(sulfanyl)-2,4,7,11,13-pentaoxa-3$l^{5},12$l^{5}-diphosphatricyclo[13.3.0.0^{6,10}]octadecan-17-yl]purin-6-amine, Stimulator of interferon protein | | Authors: | Klima, M, Smola, M, Boura, E. | | Deposit date: | 2022-06-06 | | Release date: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (3 Å) | | Cite: | Crystal structure of human STING in complex with 3',3'-c-(2'F,2'dAMP(S)-2'F,2'dAMP(S))
To Be Published
|
|
5X2B
 | |
1LA1
 | | Gro-EL Fragment (Apical Domain) Comprising Residues 188-379 | | Descriptor: | GroEL | | Authors: | Ashcroft, A.E, Brinker, A, Coyle, J.E, Weber, F, Kaiser, M, Moroder, L, Parsons, M.R, Jager, J, Hartl, U.F, Hayer-Hartl, M, Radford, S.E. | | Deposit date: | 2002-03-27 | | Release date: | 2002-04-03 | | Last modified: | 2023-08-16 | | Method: | X-RAY DIFFRACTION (2.06 Å) | | Cite: | Structural plasticity and noncovalent substrate binding in the GroEL apical domain. A study using electrospay ionization mass spectrometry and fluorescence binding studies.
J.Biol.Chem., 277, 2002
|
|
8GB1
 | | Crystal structure of SAMHD1 dimer bound to deoxyguanosine linked inhibitor | | Descriptor: | 5'-O-[(R)-(3-{[(1M)-3'-bromo[1,1'-biphenyl]-3-carbonyl]amino}propoxy)(hydroxy)phosphoryl]-2'-deoxyguanosine, Deoxynucleoside triphosphate triphosphohydrolase SAMHD1, FE (III) ION | | Authors: | Egleston, M, Dong, L, Howlader, A.H, Bhat, S, Orris, B, Bianchet, M.A, Greenberg, M.M, Stivers, J.T. | | Deposit date: | 2023-02-24 | | Release date: | 2023-06-07 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (2.46 Å) | | Cite: | Deoxyguanosine-Linked Bifunctional Inhibitor of SAMHD1 dNTPase Activity and Nucleic Acid Binding.
Acs Chem.Biol., 18, 2023
|
|
1S6M
 | | Conjugative Relaxase Trwc In Complex With Orit DNA. Metal-Bound Structure | | Descriptor: | DNA (25-MER), NICKEL (II) ION, TrwC | | Authors: | Guasch, A, Lucas, M, Moncalian, G, Cabezas, M, Perez-Luque, R, Gomis-Ruth, F.X, de la Cruz, F, Coll, M. | | Deposit date: | 2004-01-26 | | Release date: | 2005-06-14 | | Last modified: | 2023-11-15 | | Method: | X-RAY DIFFRACTION (2.28 Å) | | Cite: | Unveiling the molecular mechanism of a conjugative relaxase: The structure of TrwC complexed with a 27-mer DNA comprising the recognition hairpin and the cleavage site.
J.Mol.Biol., 358, 2006
|
|
6JND
 | | Cryo-EM structure of glutamate dehydrogenase from Thermococcus profundus | | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Glutamate dehydrogenase | | Authors: | Oide, M, Kato, T, Oroguchi, T, Nakasako, M. | | Deposit date: | 2019-03-14 | | Release date: | 2020-02-12 | | Last modified: | 2024-03-27 | | Method: | ELECTRON MICROSCOPY (3.9 Å) | | Cite: | Energy landscape of domain motion in glutamate dehydrogenase deduced from cryo-electron microscopy.
Febs J., 287, 2020
|
|
1LB9
 | | Crystal structure of the Non-desensitizing GluR2 ligand binding core mutant (S1S2J-L483Y) in complex with antagonist DNQX at 2.3 A resolution | | Descriptor: | 6,7-DINITROQUINOXALINE-2,3-DIONE, Glutamate receptor 2, SULFATE ION | | Authors: | Sun, Y, Olson, R, Horning, M, Armstrong, N, Mayer, M, Gouaux, E. | | Deposit date: | 2002-04-02 | | Release date: | 2002-06-05 | | Last modified: | 2023-08-16 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Mechanism of glutamate receptor desensitization.
Nature, 417, 2002
|
|
6T3R
 | |
1C9T
 | | COMPLEX OF BDELLASTASIN WITH BOVINE TRYPSIN | | Descriptor: | BDELLASTASIN, TRYPSIN | | Authors: | Rester, U, Bode, W, Moser, M, Parry, M.A, Huber, R, Auerswald, E. | | Deposit date: | 1999-08-03 | | Release date: | 2000-08-03 | | Last modified: | 2017-10-04 | | Method: | X-RAY DIFFRACTION (3.3 Å) | | Cite: | Structure of the complex of the antistasin-type inhibitor bdellastasin with trypsin and modelling of the bdellastasin-microplasmin system.
J.Mol.Biol., 293, 1999
|
|
8GSY
 | |
4K1T
 | | Gly-Ser-SplB protease from Staphylococcus aureus at 1.60 A resolution | | Descriptor: | CHLORIDE ION, SULFATE ION, Serine protease SplB, ... | | Authors: | Zdzalik, M, Pustelny, K, Stec-Niemczyk, J, Cichon, P, Czarna, A, Popowicz, G, Drag, M, Wladyka, B, Potempa, J, Dubin, A, Dubin, G. | | Deposit date: | 2013-04-05 | | Release date: | 2014-04-16 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | Staphylococcal SplB Serine Protease Utilizes a Novel Molecular Mechanism of Activation.
J.Biol.Chem., 289, 2014
|
|
1LRU
 | | Crystal Structure of E.coli Peptide Deformylase Complexed with Antibiotic Actinonin | | Descriptor: | ACTINONIN, PEPTIDE DEFORMYLASE, SULFATE ION, ... | | Authors: | Guilloteau, J.-P, Mathieu, M, Giglione, C, Blanc, V, Dupuy, A, Chevrier, M, Gil, P, Famechon, A, Meinnel, T, Mikol, V. | | Deposit date: | 2002-05-16 | | Release date: | 2002-07-24 | | Last modified: | 2024-02-14 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | The crystal structures of four peptide deformylases bound to the antibiotic actinonin reveal two distinct types: a platform for the structure-based design of antibacterial agents.
J.Mol.Biol., 320, 2002
|
|
6GGK
 | | Crystal structure of CotB2 C-terminal truncation | | Descriptor: | CHLORIDE ION, Cyclooctat-9-en-7-ol synthase, MAGNESIUM ION | | Authors: | Driller, R, Janke, S, Fuchs, M, Warner, E, Mhashal, A.R, Major, D.T, Christmann, M, Brueck, T, Loll, B. | | Deposit date: | 2018-05-03 | | Release date: | 2018-10-10 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (2.15 Å) | | Cite: | Towards a comprehensive understanding of the structural dynamics of a bacterial diterpene synthase during catalysis.
Nat Commun, 9, 2018
|
|
8G55
 | |
1KYX
 | | Lumazine Synthase from S.pombe bound to carboxyethyllumazine | | Descriptor: | 3-[8-((2S,3S,4R)-2,3,4,5-TETRAHYDROXYPENTYL)-2,4,7-TRIOXO-1,3,8-TRIHYDROPTERIDIN-6-YL]PROPANOIC ACID, 6,7-Dimethyl-8-ribityllumazine Synthase, PHOSPHATE ION | | Authors: | Gerhardt, S, Haase, I, Steinbacher, S, Kaiser, J.T, Cushman, M, Bacher, A, Huber, R, Fischer, M. | | Deposit date: | 2002-02-06 | | Release date: | 2002-07-24 | | Last modified: | 2024-03-13 | | Method: | X-RAY DIFFRACTION (2.6 Å) | | Cite: | The structural basis of riboflavin binding to Schizosaccharomyces pombe 6,7-dimethyl-8-ribityllumazine synthase.
J.Mol.Biol., 318, 2002
|
|
