7OXY
 
 | | Crystal structure of depupylase Dop in complex with Pup and AMP-PCP | | Descriptor: | 1,2-ETHANEDIOL, ACETATE ION, DI(HYDROXYETHYL)ETHER, ... | | Authors: | Cui, H. | | Deposit date: | 2021-06-23 | | Release date: | 2021-12-01 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (1.65 Å) | | Cite: | Structures of prokaryotic ubiquitin-like protein Pup in complex with depupylase Dop reveal the mechanism of catalytic phosphate formation.
Nat Commun, 12, 2021
|
|
1FPC
 | | ACTIVE SITE MIMETIC INHIBITION OF THROMBIN | | Descriptor: | Hirudin, amino{[(4S)-4-({[5-(dimethylamino)naphthalen-1-yl]sulfonyl}amino)-5-(4-ethylpiperidin-1-yl)-5-oxopentyl]amino}methaniminium, thrombin | | Authors: | Tulinsky, A, Mathews, I.I. | | Deposit date: | 1994-10-16 | | Release date: | 1995-02-27 | | Last modified: | 2024-10-30 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Active-site mimetic inhibition of thrombin.
Acta Crystallogr.,Sect.D, 51, 1995
|
|
6WZL
 | | LY3041658 Fab bound to CXCL7 | | Descriptor: | 1-(2-METHOXY-ETHOXY)-2-{2-[2-(2-METHOXY-ETHOXY]-ETHOXY}-ETHANE, C-X-C motif chemokine 7, LY3041658 Fab heavy chain, ... | | Authors: | Durbin, J.D, Druzina, Z. | | Deposit date: | 2020-05-14 | | Release date: | 2020-11-25 | | Last modified: | 2024-11-06 | | Method: | X-RAY DIFFRACTION (2.29 Å) | | Cite: | Discovery and characterization of a neutralizing pan-ELR+CXC chemokine monoclonal antibody.
Mabs, 12
|
|
7P3T
 | | Transaminase of gamma-proteobacterium | | Descriptor: | Branched-chain amino acid aminotransferase, GLYCEROL, PYRIDOXAL-5'-PHOSPHATE | | Authors: | Ermler, U. | | Deposit date: | 2021-07-08 | | Release date: | 2021-12-15 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | Rational engineering of Luminiphilus syltensis ( R )-selective amine transaminase for the acceptance of bulky substrates.
Chem.Commun.(Camb.), 57, 2021
|
|
1FS8
 | | CYTOCHROME C NITRITE REDUCTASE FROM WOLINELLA SUCCINOGENES-SULFATE COMPLEX | | Descriptor: | ACETATE ION, CALCIUM ION, CYTOCHROME C NITRITE REDUCTASE, ... | | Authors: | Einsle, O, Stach, P, Messerschmidt, A, Simon, J, Kroeger, A, Huber, R, Kroneck, P.M.H. | | Deposit date: | 2000-09-08 | | Release date: | 2001-01-17 | | Last modified: | 2024-11-13 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | Cytochrome c nitrite reductase from Wolinella succinogenes. Structure at 1.6 A resolution, inhibitor binding, and heme-packing motifs.
J.Biol.Chem., 275, 2000
|
|
8SA2
 | | Adenosylcobalamin-bound riboswitch dimer, form 1 | | Descriptor: | Adenosylcobalamin, adenosylcobalamin riboswitch form 1 | | Authors: | Ding, J, Deme, J.C, Stagno, J.R, Yu, P, Lea, S.M, Wang, Y.X. | | Deposit date: | 2023-03-31 | | Release date: | 2023-07-26 | | Last modified: | 2025-06-04 | | Method: | ELECTRON MICROSCOPY (3.1 Å) | | Cite: | Capturing heterogeneous conformers of cobalamin riboswitch by cryo-EM.
Nucleic Acids Res., 51, 2023
|
|
6NKF
 | | Crystal Structure of the Lipase Lip_vut4 from Goat Rumen metagenome. | | Descriptor: | 1,2-ETHANEDIOL, 2-BUTANOL, DI(HYDROXYETHYL)ETHER, ... | | Authors: | Kim, Y, Welk, L, Mukendi, G, Nkhi, G, Motloi, T, Jedrzejczak, R, Feto, N, Joachimiak, A. | | Deposit date: | 2019-01-07 | | Release date: | 2020-01-22 | | Last modified: | 2024-10-23 | | Method: | X-RAY DIFFRACTION (2.232 Å) | | Cite: | Crystal Structure of the Lipase Lip_vut4 from Goat Rumen metagenome.
To Be Published
|
|
3LHP
 | |
8G7B
 | |
7RJE
 | | Complex III2 from Candida albicans, Inz-5 bound | | Descriptor: | 3-[2-fluoro-5-(trifluoromethyl)phenyl]-7-methyl-1-[(2-methyl-2H-tetrazol-5-yl)methyl]-1H-indazole, Cytochrome b, Cytochrome b-c1 complex subunit 2, ... | | Authors: | Di Trani, J.M, Rubinstein, J.L. | | Deposit date: | 2021-07-20 | | Release date: | 2021-09-15 | | Last modified: | 2024-12-25 | | Method: | ELECTRON MICROSCOPY (3.3 Å) | | Cite: | Rieske head domain dynamics and indazole-derivative inhibition of Candida albicans complex III.
Structure, 30, 2022
|
|
7OY5
 | | Crystal structure of GSK3Beta in complex with ARN25068 | | Descriptor: | CHLORIDE ION, Glycogen synthase kinase-3 beta, ~{N}4-(3-cyclopropyl-1~{H}-pyrazol-5-yl)-~{N}2-(phenylmethyl)thieno[3,2-d]pyrimidine-2,4-diamine | | Authors: | Tripathi, S.K, Balboni, B, Demuro, S, DiMartino, R, Giabbai, B, Storici, P, Ortega, J, Girotto, S, Cavalli, A. | | Deposit date: | 2021-06-23 | | Release date: | 2022-03-02 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (2.57 Å) | | Cite: | ARN25068, a versatile starting point towards triple GSK-3 beta /FYN/DYRK1A inhibitors to tackle tau-related neurological disorders.
Eur.J.Med.Chem., 229, 2022
|
|
6WM7
 | | Periplasmic EDTA-binding protein EppA, orthorhombic | | Descriptor: | 1,2-ETHANEDIOL, Extracellular solute-binding protein, family 5, ... | | Authors: | Lewis, K.M, Greene, C.L, Sattler, S.A, Xun, L, Kang, C. | | Deposit date: | 2020-04-20 | | Release date: | 2020-11-18 | | Last modified: | 2024-11-13 | | Method: | X-RAY DIFFRACTION (1.56 Å) | | Cite: | The Structural Basis of the Binding of Various Aminopolycarboxylates by the Periplasmic EDTA-Binding Protein EppA from Chelativorans sp. BNC1.
Int J Mol Sci, 21, 2020
|
|
6WDZ
 | | Porcine circovirus 2 Rep domain complexed with a single-stranded DNA 10-mer comprising the cleavage site | | Descriptor: | 1,2-ETHANEDIOL, ATP-dependent helicase Rep, DNA (5'-D(*TP*AP*GP*TP*AP*TP*TP*AP*CP*C)-3'), ... | | Authors: | Litzau, L.A, Tompkins, K, Shi, K, Nelson, A, Evans III, R.L, Gordon, W.R. | | Deposit date: | 2020-04-01 | | Release date: | 2020-12-16 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (2.03 Å) | | Cite: | Molecular underpinnings of ssDNA specificity by Rep HUH-endonucleases and implications for HUH-tag multiplexing and engineering.
Nucleic Acids Res., 49, 2021
|
|
8ZKO
 | | CryoEM structure of Thyroid Hormone Transporter MCT8 | | Descriptor: | 1,2-DIACYL-SN-GLYCERO-3-PHOSPHOCHOLINE, 3,5,3'TRIIODOTHYRONINE, Monocarboxylate transporter 8 | | Authors: | Tan, J, Xiao, Y, Kong, F, Zhu, A, Qian, J, Yan, C. | | Deposit date: | 2024-05-17 | | Release date: | 2025-04-02 | | Last modified: | 2025-07-02 | | Method: | ELECTRON MICROSCOPY (3.13 Å) | | Cite: | Structural insights into thyroid hormone transporter MCT8.
Nat Commun, 16, 2025
|
|
8G09
 | |
3LS4
 | | Crystal Structure of Anti-tetrahydrocannabinol Fab Fragment in Complex with THC | | Descriptor: | (6aR,10aR)-6,6,9-trimethyl-3-pentyl-6a,7,8,10a-tetrahydro-6H-benzo[c]chromen-1-ol, Heavy chain of antibody Fab fragment, Light chain of antibody Fab fragment | | Authors: | Niemi, M.H, Rouvinen, J. | | Deposit date: | 2010-02-12 | | Release date: | 2010-06-02 | | Last modified: | 2024-11-20 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | A structural insight into the molecular recognition of a (-)-Delta9-tetrahydrocannabinol and the development of a sensitive, one-step, homogeneous immunocomplex-based assay for its detection
J.Mol.Biol., 400, 2010
|
|
6SKW
 | | Crystal structure of the Legionella pneumophila type II secretion system substrate NttE | | Descriptor: | 1,2-ETHANEDIOL, NttE | | Authors: | Portlock, T.J, Rehman, S, Garnett, J.A. | | Deposit date: | 2019-08-16 | | Release date: | 2020-05-20 | | Last modified: | 2024-11-13 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Structure, Dynamics and Cellular Insight Into Novel Substrates of theLegionella pneumophilaType II Secretion System.
Front Mol Biosci, 7, 2020
|
|
8R6H
 | |
6WKK
 | | Phage G gp27 major capsid proteins and gp26 decoration proteins | | Descriptor: | Gp26 capsid decoration protein, Gp27 major capsid protein | | Authors: | Monroe, L, Gonzalez, B, Jiang, W, Kihara, D. | | Deposit date: | 2020-04-16 | | Release date: | 2020-06-10 | | Last modified: | 2024-03-06 | | Method: | ELECTRON MICROSCOPY (6.1 Å) | | Cite: | Phage G Structure at 6.1 angstrom Resolution, Condensed DNA, and Host Identity Revision to a Lysinibacillus.
J.Mol.Biol., 432, 2020
|
|
1FQJ
 | | CRYSTAL STRUCTURE OF THE HETEROTRIMERIC COMPLEX OF THE RGS DOMAIN OF RGS9, THE GAMMA SUBUNIT OF PHOSPHODIESTERASE AND THE GT/I1 CHIMERA ALPHA SUBUNIT [(RGS9)-(PDEGAMMA)-(GT/I1ALPHA)-(GDP)-(ALF4-)-(MG2+)] | | Descriptor: | GUANOSINE-5'-DIPHOSPHATE, Guanine nucleotide-binding protein G(t) subunit alpha-1,Guanine nucleotide-binding protein G(i) subunit alpha-1,Guanine nucleotide-binding protein G(t) subunit alpha-1, MAGNESIUM ION, ... | | Authors: | Slep, K.C, Kercher, M.A, He, W, Cowan, C.W, Wensel, T.G, Sigler, P.B. | | Deposit date: | 2000-09-05 | | Release date: | 2001-02-28 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (2.02 Å) | | Cite: | Structural determinants for regulation of phosphodiesterase by a G protein at 2.0 A.
Nature, 409, 2001
|
|
6WUW
 | | Crystal structure of Human Serum Albumin complex with JMS-053 | | Descriptor: | 1,2-ETHANEDIOL, 7-imino-2-phenylthieno[3,2-c]pyridine-4,6(5H,7H)-dione, MYRISTIC ACID, ... | | Authors: | Czub, M.P, Cooper, D.R, Shabalin, I.G, Lazo, J.S, Minor, W, Center for Structural Genomics of Infectious Diseases (CSGID) | | Deposit date: | 2020-05-05 | | Release date: | 2020-05-20 | | Last modified: | 2024-10-30 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Structure of the Complex of an Iminopyridinedione Protein Tyrosine Phosphatase 4A3 Phosphatase Inhibitor with Human Serum Albumin.
Mol.Pharmacol., 98, 2020
|
|
7PHN
 | | LpxC Inhibitors With Fluoroproline As A Novel Zinc-Binding Group Can Serve As A Novel Class of Antibiotic With Activity Against Multidrug-Resistant Gram-Negative Bacteria | | Descriptor: | (2~{R},4~{R})-4-[[(2~{S},4~{S})-4-fluoranylpyrrolidin-2-yl]carbonylamino]-1-(2-methylpropanoyl)-~{N}-[[4-(2-phenylethynyl)phenyl]methyl]pyrrolidine-2-carboxamide, UDP-3-O-acyl-N-acetylglucosamine deacetylase, ZINC ION | | Authors: | Ryan, M.D, Pallin, T.D, Lamers, M.B.A.C, Leonard, P.M. | | Deposit date: | 2021-08-17 | | Release date: | 2022-09-07 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | LpxC Inhibitors With Fluoroproline As A Novel Zinc-Binding Group Can Serve As A Novel Class of Antibiotic With Activity Against Multidrug-Resistant Gram-Negative Bacteria
To Be Published
|
|
8DB4
 | |
7PHJ
 | | LpxC Inhibitors With Fluoroproline As A Novel Zinc-Binding Group Can Serve As A Novel Class of Antibiotic With Activity Against Multidrug-Resistant Gram-Negative Bacteria | | Descriptor: | (2~{R},4~{R})-4-[[(2~{S},4~{S})-4-fluoranylpyrrolidin-2-yl]carbonylamino]-1-(2-methylpropanoyl)-~{N}-[[4-(2-phenylethynyl)phenyl]methyl]pyrrolidine-2-carboxamide, UDP-3-O-acyl-N-acetylglucosamine deacetylase, ZINC ION | | Authors: | Ryan, M.D, Pallin, T.D, Lamers, M.B.A.C, Leonard, P.M. | | Deposit date: | 2021-08-17 | | Release date: | 2022-09-07 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (2.45 Å) | | Cite: | LpxC Inhibitors With Fluoroproline As A Novel Zinc-Binding Group Can Serve As A Novel Class of Antibiotic With Activity Against Multidrug-Resistant Gram-Negative Bacteria
To Be Published
|
|
6WKF
 | | Crystal structure of pentalenene synthase mutant F76Y complexed with 12,13-difluorofarnesyl diphosphate | | Descriptor: | (2E,6E)-12-fluoro-11-(fluoromethyl)-3,7-dimethyldodeca-2,6,10-trien-1-yl trihydrogen diphosphate, Pentalenene synthase | | Authors: | Prem Kumar, R, Matos, J.O, Oprian, D.D. | | Deposit date: | 2020-04-16 | | Release date: | 2020-08-26 | | Last modified: | 2024-10-16 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Mechanism Underlying Anti-Markovnikov Addition in the Reaction of Pentalenene Synthase.
Biochemistry, 59, 2020
|
|
