5GV3
 
 | | Crystal structure of the membrane-distal domain of mouse lysosome-associated membrane protein 2 (LAMP-2) | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Lysosome-associated membrane glycoprotein 2, ZINC ION | | Authors: | Tomabechi, Y, Ehara, H, Kukimoto-Niino, M, Shirouzu, M. | | Deposit date: | 2016-09-01 | | Release date: | 2017-09-06 | | Last modified: | 2024-10-09 | | Method: | X-RAY DIFFRACTION (2.096 Å) | | Cite: | Lysosome-associated membrane proteins-1 and -2 (LAMP-1 and LAMP-2) assemble via distinct modes.
Biochem. Biophys. Res. Commun., 479, 2016
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5TVY
 | | Computationally Designed Fentanyl Binder - Fen49 | | Descriptor: | 3,6,9,12,15,18,21,24,27-NONAOXANONACOSANE-1,29-DIOL, Endo-1,4-beta-xylanase A | | Authors: | Bick, M.J, Greisen, P.J, Morey, K.J, Antunes, M.S, La, D, Sankaran, B, Reymond, L, Johnsson, K, Medford, J.I, Baker, D. | | Deposit date: | 2016-11-10 | | Release date: | 2017-10-04 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (1 Å) | | Cite: | Computational design of environmental sensors for the potent opioid fentanyl.
Elife, 6, 2017
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3PYB
 | | Crystal structure of ent-copalyl diphosphate synthase from Arabidopsis thaliana in complex with 13-aza-13,14-dihydrocopalyl diphosphate | | Descriptor: | 2-(methyl{2-[(1S,4aS,8aS)-5,5,8a-trimethyl-2-methylidenedecahydronaphthalen-1-yl]ethyl}amino)ethyl trihydrogen diphosphate, Ent-copalyl diphosphate synthase, chloroplastic, ... | | Authors: | Koksal, M, Christianson, D.W. | | Deposit date: | 2010-12-12 | | Release date: | 2011-05-25 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (2.759 Å) | | Cite: | Structure of ent-Copalyl Diphosphate Synthase from Arabidopsis thaliana, a Protonation-Dependent Diterpene Cyclase
To be Published
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6KXE
 | | The ishigamide ketosynthase/chain length factor | | Descriptor: | 1,2-ETHANEDIOL, ACETATE ION, Ketosynthase, ... | | Authors: | Du, D, Katsuyama, Y, Horiuchi, M, Fushinobu, S, Chen, A, Davis, T, Burkart, M, Ohnishi, Y. | | Deposit date: | 2019-09-10 | | Release date: | 2020-05-06 | | Last modified: | 2025-04-09 | | Method: | X-RAY DIFFRACTION (1.81 Å) | | Cite: | Structural basis for selectivity in a highly reducing type II polyketide synthase.
Nat.Chem.Biol., 16, 2020
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1QB2
 | | CRYSTAL STRUCTURE OF THE CONSERVED SUBDOMAIN OF HUMAN PROTEIN SRP54M AT 2.1A RESOLUTION: EVIDENCE FOR THE MECHANISM OF SIGNAL PEPTIDE BINDING | | Descriptor: | HUMAN SIGNAL RECOGNITION PARTICLE 54 KD PROTEIN | | Authors: | Clemons Jr, W.M, Gowda, K, Black, S.D, Zwieb, C, Ramakrishnan, V. | | Deposit date: | 1999-04-29 | | Release date: | 1999-10-20 | | Last modified: | 2024-02-14 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Crystal structure of the conserved subdomain of human protein SRP54M at 2.1 A resolution: evidence for the mechanism of signal peptide binding.
J.Mol.Biol., 292, 1999
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5U0F
 | | Identification of a New Zinc Binding Chemotype by Fragment Screening | | Descriptor: | (5R)-5-[(2,4-dimethoxyphenyl)methyl]-2-sulfanylidene-1,3-thiazolidin-4-one, Carbonic anhydrase 2, ZINC ION | | Authors: | Peat, T.S, Poulsen, S.A, Ren, B, Dolezal, O, Woods, L.A, Mujumdar, P, Chrysanthopoulos, P.K. | | Deposit date: | 2016-11-23 | | Release date: | 2017-08-30 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (1.21 Å) | | Cite: | Identification of a New Zinc Binding Chemotype by Fragment Screening.
J. Med. Chem., 60, 2017
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6QR3
 | | Crystal structure of TrmD, a tRNA-(N1G37) methyltransferase, from Mycobacterium abscessus in complex with inhibitor | | Descriptor: | 5-azanyl-3-[1-[[(3~{S})-1-methylpiperidin-3-yl]methyl]indol-6-yl]-1~{H}-pyrazole-4-carbonitrile, SULFATE ION, tRNA (guanine-N(1)-)-methyltransferase | | Authors: | Thomas, S.E, Whitehouse, A.J, Coyne, A.G, Abell, C, Mendes, V, Blundell, T.L. | | Deposit date: | 2019-02-19 | | Release date: | 2019-09-18 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.614 Å) | | Cite: | Development of Inhibitors againstMycobacterium abscessustRNA (m1G37) Methyltransferase (TrmD) Using Fragment-Based Approaches.
J.Med.Chem., 62, 2019
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1H0V
 | | Human cyclin dependent protein kinase 2 in complex with the inhibitor 2-Amino-6-[(R)-pyrrolidino-5'-yl]methoxypurine | | Descriptor: | 5-{[(2-AMINO-9H-PURIN-6-YL)OXY]METHYL}-2-PYRROLIDINONE, CELL DIVISION PROTEIN KINASE 2 | | Authors: | Gibson, A.E, Arris, C.E, Bentley, J, Boyle, F.T, Curtin, N.J, Davies, T.G, Endicott, J.A, Golding, B.T, Grant, S, Griffin, R.J, Jewsbury, P, Johnson, L.N, Mesguiche, V, Newell, D.R, Noble, M.E.M, Tucker, J.A, Whitfield, H.J. | | Deposit date: | 2002-06-27 | | Release date: | 2003-06-27 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Probing the ATP Ribose-Binding Domain of Cyclin-Dependent Kinases 1 and 2 with O(6)-Substituted Guanine Derivatives
J.Med.Chem., 45, 2002
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4PMY
 | | Crystal structure of GH10 endo-b-1,4-xylanase (XynB) from Xanthomonas axonopodis pv citri complexed with xylose | | Descriptor: | CALCIUM ION, GLYCEROL, Xylanase, ... | | Authors: | Santos, C.R, Martins, V.P.M, Zanphorlin, L.M, Ruller, R, Murakami, M.T. | | Deposit date: | 2014-05-22 | | Release date: | 2014-10-08 | | Last modified: | 2023-12-27 | | Method: | X-RAY DIFFRACTION (1.601 Å) | | Cite: | Molecular mechanisms associated with xylan degradation by xanthomonas plant pathogens.
J.Biol.Chem., 289, 2014
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2VEO
 | | X-ray structure of Candida antarctica lipase A in its closed state. | | Descriptor: | GLYCEROL, LIPASE A, TETRAETHYLENE GLYCOL, ... | | Authors: | Ericsson, D.J, Kasrayan, A, Johansson, P, Bergfors, T, Sandstrom, A.G, Backvall, J.E, Mowbray, S.L. | | Deposit date: | 2007-10-25 | | Release date: | 2007-11-06 | | Last modified: | 2024-11-06 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | X-Ray Structure of Candida Antarctica Lipase a Shows a Novel Lid Structure and a Likely Mode of Interfacial Activation.
J.Mol.Biol., 376, 2008
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5YBF
 | | Crystal structure of the GluA2o LBD in complex with glutamate and HBT1 | | Descriptor: | 2-[2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]ethanoylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide, ACETATE ION, GLUTAMIC ACID, ... | | Authors: | Sogabe, S, Igaki, S, Hirokawa, A, Zama, Y, Lane, W, Snell, G. | | Deposit date: | 2017-09-04 | | Release date: | 2018-01-17 | | Last modified: | 2024-10-30 | | Method: | X-RAY DIFFRACTION (1.5 Å) | | Cite: | HBT1, a Novel AMPA Receptor Potentiator with Lower Agonistic Effect, Avoided Bell-Shaped Response in In Vitro BDNF Production.
J. Pharmacol. Exp. Ther., 364, 2018
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5D3H
 | | First bromodomain of BRD4 bound to inhibitor XD29 | | Descriptor: | Bromodomain-containing protein 4, N-[5-(diethylsulfamoyl)-2-hydroxyphenyl]-3-ethyl-4-(hydroxyacetyl)-5-methyl-1H-pyrrole-2-carboxamide | | Authors: | Wohlwend, D, Huegle, M, Weitzel, G. | | Deposit date: | 2015-08-06 | | Release date: | 2016-01-20 | | Last modified: | 2024-05-01 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | 4-Acyl Pyrrole Derivatives Yield Novel Vectors for Designing Inhibitors of the Acetyl-Lysine Recognition Site of BRD4(1).
J.Med.Chem., 59, 2016
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1AAY
 | | ZIF268 ZINC FINGER-DNA COMPLEX | | Descriptor: | DNA (5'-D(*AP*GP*CP*GP*TP*GP*GP*GP*CP*GP*T)-3'), DNA (5'-D(*TP*AP*CP*GP*CP*CP*CP*AP*CP*GP*C)-3'), PROTEIN (ZIF268 ZINC FINGER PEPTIDE), ... | | Authors: | Elrod-Erickson, M, Rould, M.A, Pabo, C.O. | | Deposit date: | 1997-01-18 | | Release date: | 1997-04-21 | | Last modified: | 2023-08-02 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | Zif268 protein-DNA complex refined at 1.6 A: a model system for understanding zinc finger-DNA interactions.
Structure, 4, 1996
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2VHA
 | | DEBP | | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, GLUTAMIC ACID, PERIPLASMIC BINDING TRANSPORT PROTEIN | | Authors: | Hu, Y.L, Fan, C.-P, Fu, G.S, Zhu, D.Y, Jin, Q, Wang, D.-C. | | Deposit date: | 2007-11-20 | | Release date: | 2008-07-08 | | Last modified: | 2024-11-06 | | Method: | X-RAY DIFFRACTION (1 Å) | | Cite: | Crystal Structure of a Glutamate/Aspartate Binding Protein Complexed with a Glutamate Molecule: Structural Basis of Ligand Specificity at Atomic Resolution.
J.Mol.Biol., 382, 2008
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3IOB
 | | Crystal Structure of Mycobacterium Tuberculosis Pantothenate Synthetase at 1.80 Ang resolution in complex with 5'-deoxy-5'-thioadenosine | | Descriptor: | 5'-thioadenosine, ETHANOL, GLYCEROL, ... | | Authors: | Ciulli, A, Scott, D.E, Abell, C. | | Deposit date: | 2009-08-14 | | Release date: | 2009-12-01 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | A Fragment-Based Approach to Probing Adenosine Recognition Sites by Using Dynamic Combinatorial Chemistry
Chembiochem, 10, 2009
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3I73
 | | Structural characterization for the nucleotide binding ability of subunit A with ADP of the A1AO ATP synthase | | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, A-TYPE ATP SYNTHASE CATALYTIC SUBUNIT A, ... | | Authors: | Manimekalai, S.M.S, Kumar, A, Balakrishna, A.M, Gruber, G. | | Deposit date: | 2009-07-08 | | Release date: | 2010-01-12 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Nucleotide binding states of subunit A of the A-ATP synthase and the implication of P-loop switch in evolution.
J.Mol.Biol., 396, 2010
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5YG4
 | | Plasmodium vivax SHMT bound with PLP-glycine and S-GS849 | | Descriptor: | 2-[1-[(3~{S})-6'-azanyl-5'-cyano-7-fluoranyl-2,2,3'-trimethyl-spiro[1~{H}-indene-3,4'-2~{H}-pyrano[2,3-c]pyrazole]-5-yl]piperidin-4-yl]ethanoic acid, CHLORIDE ION, GLYCEROL, ... | | Authors: | Chitnumsub, P, Jaruwat, A, Leartsakulpanich, U, Schwertz, G, Diederich, F. | | Deposit date: | 2017-09-22 | | Release date: | 2018-06-06 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Potent Inhibitors of Plasmodial Serine Hydroxymethyltransferase (SHMT) Featuring a Spirocyclic Scaffold
ChemMedChem, 13, 2018
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7C9A
 | | Human RAD51 post-synaptic complexes mutant (V273P, D274G) | | Descriptor: | CALCIUM ION, DNA (5'-D(P*AP*AP*AP*AP*AP*AP*AP*AP*A)-3'), DNA (5'-D(P*TP*TP*TP*TP*TP*TP*TP*TP*T)-3'), ... | | Authors: | Chi, H.Y, Ho, M.C, Tsai, M.D, Luo, S.C, Yeh, H.Y. | | Deposit date: | 2020-06-05 | | Release date: | 2020-11-18 | | Last modified: | 2024-03-27 | | Method: | ELECTRON MICROSCOPY (3.43 Å) | | Cite: | Identification of fidelity-governing factors in human recombinases DMC1 and RAD51 from cryo-EM structures.
Nat Commun, 12, 2021
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6U6A
 | | Crystal structure of Yck2 from Candida albicans in complex with kinase inhibitor GW461484A | | Descriptor: | 2-(4-fluorophenyl)-6-methyl-3-(pyridin-4-yl)pyrazolo[1,5-a]pyridine, SULFATE ION, Serine/threonine protein kinase | | Authors: | Stogios, P.J, Evdokimova, E, Di Leo, R, Chang, C, Savchenko, A, Joachimiak, A, Satchell, K.J.F, Center for Structural Genomics of Infectious Diseases (CSGID) | | Deposit date: | 2019-08-29 | | Release date: | 2019-10-30 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (2.45 Å) | | Cite: | Overcoming Fungal Echinocandin Resistance through Inhibition of the Non-essential Stress Kinase Yck2.
Cell Chem Biol, 27, 2020
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1L40
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5CXU
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5CZD
 | | The complex structure of VinK with VinL | | Descriptor: | 1,1'-ethane-1,2-diyldipyrrolidine-2,5-dione, 4'-PHOSPHOPANTETHEINE, Acyl-carrier-protein, ... | | Authors: | Miyanaga, A, Iwasawa, S, Shinohara, Y, Kudo, F, Eguchi, T. | | Deposit date: | 2015-07-31 | | Release date: | 2016-02-03 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (2.34 Å) | | Cite: | Structure-based analysis of the molecular interactions between acyltransferase and acyl carrier protein in vicenistatin biosynthesis.
Proc.Natl.Acad.Sci.USA, 113, 2016
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8SG8
 | | CCT G beta 5 complex closed state 1 | | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, ALUMINUM FLUORIDE, Guanine nucleotide-binding protein subunit beta-5, ... | | Authors: | Wang, S, Sass, M, Willardson, B.M, Shen, P.S. | | Deposit date: | 2023-04-11 | | Release date: | 2023-10-25 | | Last modified: | 2025-05-28 | | Method: | ELECTRON MICROSCOPY (3 Å) | | Cite: | Visualizing the chaperone-mediated folding trajectory of the G protein beta 5 beta-propeller.
Mol.Cell, 83, 2023
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6KTZ
 | | The complex structure of EanB/C412S with hercynine | | Descriptor: | 1,2-ETHANEDIOL, BROMIDE ION, CHLORIDE ION, ... | | Authors: | Wu, L, Liu, P.H, Zhou, J.H. | | Deposit date: | 2019-08-29 | | Release date: | 2020-08-26 | | Last modified: | 2024-10-16 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Single-Step Replacement of an Unreactive C-H Bond by a C-S Bond Using Polysulfide as the Direct Sulfur Source in the Anaerobic Ergothioneine Biosynthesis
Acs Catalysis, 10, 2020
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4B1H
 | | Structure of human PARG catalytic domain in complex with ADP-ribose | | Descriptor: | (2S,3S)-1,4-DIMERCAPTOBUTANE-2,3-DIOL, BETA-MERCAPTOETHANOL, GLYCEROL, ... | | Authors: | Brassington, C, Ellston, J, Hassall, G, Holdgate, G, McAlister, M, Smith, G, Tucker, J.A, Watson, M. | | Deposit date: | 2012-07-10 | | Release date: | 2012-12-19 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Structures of the Human Poly (Adp-Ribose) Glycohydrolase Catalytic Domain Confirm Catalytic Mechanism and Explain Inhibition by Adp-Hpd Derivatives.
Plos One, 7, 2012
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