4Q3N
 
 | | Crystal structure of MGS-M5, a lactate dehydrogenase enzyme from a Medee basin deep-sea metagenome library | | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, ACETATE ION, CHLORIDE ION, ... | | Authors: | Stogios, P.J, Xu, X, Cui, H, Alcaide, M, Ferrer, M, Savchenko, A. | | Deposit date: | 2014-04-11 | | Release date: | 2015-02-25 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (1.97 Å) | | Cite: | Pressure adaptation is linked to thermal adaptation in salt-saturated marine habitats.
Environ Microbiol, 17, 2015
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4OPF
 | | Streptomcyes albus JA3453 oxazolomycin ketosynthase domain OzmH KS8 | | Descriptor: | NRPS/PKS | | Authors: | Osipiuk, J, Bigelow, L, Endres, M, Babnigg, G, Bingman, C.A, Yennamalli, R, Lohman, J.R, Ma, M, Shen, B, Phillips Jr, G.N, Joachimiak, A, Midwest Center for Structural Genomics (MCSG), Enzyme Discovery for Natural Product Biosynthesis (NatPro) | | Deposit date: | 2014-02-05 | | Release date: | 2014-02-19 | | Last modified: | 2017-11-22 | | Method: | X-RAY DIFFRACTION (2.12 Å) | | Cite: | Structural and evolutionary relationships of "AT-less" type I polyketide synthase ketosynthases.
Proc.Natl.Acad.Sci.USA, 112, 2015
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1AFS
 | | RECOMBINANT RAT LIVER 3-ALPHA-HYDROXYSTEROID DEHYDROGENASE (3-ALPHA-HSD) COMPLEXED WITH NADP AND TESTOSTERONE | | Descriptor: | 3-ALPHA-HYDROXYSTEROID DEHYDROGENASE, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, TESTOSTERONE | | Authors: | Bennett, M.J, Albert, R.H, Jez, J.M, Ma, H, Penning, T.M, Lewis, M. | | Deposit date: | 1997-03-13 | | Release date: | 1997-10-08 | | Last modified: | 2024-05-22 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Steroid recognition and regulation of hormone action: crystal structure of testosterone and NADP+ bound to 3 alpha-hydroxysteroid/dihydrodiol dehydrogenase.
Structure, 5, 1997
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1AXM
 | | HEPARIN-LINKED BIOLOGICALLY-ACTIVE DIMER OF FIBROBLAST GROWTH FACTOR | | Descriptor: | 2-O-sulfo-alpha-L-idopyranuronic acid-(1-4)-2-deoxy-6-O-sulfo-2-(sulfoamino)-alpha-D-glucopyranose-(1-4)-2-O-sulfo-alpha-L-idopyranuronic acid-(1-4)-2-deoxy-6-O-sulfo-2-(sulfoamino)-alpha-D-glucopyranose-(1-4)-2-O-sulfo-alpha-L-idopyranuronic acid, 2-deoxy-6-O-sulfo-2-(sulfoamino)-alpha-D-glucopyranose-(1-4)-2-O-sulfo-alpha-L-idopyranuronic acid-(1-4)-2-deoxy-6-O-sulfo-2-(sulfoamino)-alpha-D-glucopyranose-(1-4)-2-O-sulfo-alpha-L-idopyranuronic acid-(1-4)-2-deoxy-6-O-sulfo-2-(sulfoamino)-alpha-D-glucopyranose, ACIDIC FIBROBLAST GROWTH FACTOR | | Authors: | DiGabriele, A.D, Lax, I, Chen, D.I, Svahn, C.M, Jaye, M, Schlessinger, J, Hendrickson, W.A. | | Deposit date: | 1997-10-16 | | Release date: | 1998-04-22 | | Last modified: | 2023-08-02 | | Method: | X-RAY DIFFRACTION (3 Å) | | Cite: | Structure of a heparin-linked biologically active dimer of fibroblast growth factor.
Nature, 393, 1998
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3EOC
 | | Cdk2/CyclinA complexed with a imidazo triazin-2-amine | | Descriptor: | 5-methyl-7-phenyl-N-(3,4,5-trimethoxyphenyl)imidazo[5,1-f][1,2,4]triazin-2-amine, Cell division protein kinase 2, Cyclin-A2 | | Authors: | Cheung, M, Kuntz, K, Pobanz, M, Salovich, J, Wilson, B, Andrews, W, Shewchuk, L, Epperly, A, Hassler, D, Leesnitzer, M, Smith, J, Smith, G, Lansing, T, Mook, R. | | Deposit date: | 2008-09-26 | | Release date: | 2008-11-04 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (3.2 Å) | | Cite: | Imidazo[5,1-f][1,2,4]triazin-2-amines as novel inhibitors of polo-like kinase 1.
Bioorg.Med.Chem.Lett., 18, 2008
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1AYE
 | | HUMAN PROCARBOXYPEPTIDASE A2 | | Descriptor: | PROCARBOXYPEPTIDASE A2, ZINC ION | | Authors: | Garcia-Saez, I, Reverte, D, Vendrell, J, Aviles, F.X, Coll, M. | | Deposit date: | 1997-11-03 | | Release date: | 1999-01-13 | | Last modified: | 2023-08-02 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | The three-dimensional structure of human procarboxypeptidase A2. Deciphering the basis of the inhibition, activation and intrinsic activity of the zymogen.
EMBO J., 16, 1997
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3EAD
 | | Crystal structure of CALX-CBD1 | | Descriptor: | CALCIUM ION, GLYCEROL, Na/Ca exchange protein | | Authors: | Zheng, L, Wang, M. | | Deposit date: | 2008-08-25 | | Release date: | 2009-09-08 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (2.25 Å) | | Cite: | Crystal structures of progressive Ca2+ binding states of the Ca2+ sensor Ca2+ binding domain 1 (CBD1) from the CALX Na+/Ca2+ exchanger reveal incremental conformational transitions.
J.Biol.Chem., 285, 2010
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3BUH
 | | BACE-1 complexed with compound 4 | | Descriptor: | 4-(2-aminoethyl)-2-cyclohexylphenol, beta-secretase 1 | | Authors: | Kuglstatter, A, Hennig, M. | | Deposit date: | 2008-01-02 | | Release date: | 2008-03-11 | | Last modified: | 2021-11-10 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Tyramine fragment binding to BACE-1
Bioorg.Med.Chem.Lett., 18, 2008
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7Z01
 | | Z-SBTubA4 photoswitch bound to tubulin-DARPin D1 complex | | Descriptor: | 2-methoxy-5-[2-(5,6,7-trimethoxy-1,3-benzothiazol-2-yl)ethyl]phenol, CALCIUM ION, Designed Ankyrin Repeat Protein (DARPIN) D1, ... | | Authors: | Wranik, M, Weinert, T, Standfuss, J, Steinmetz, M. | | Deposit date: | 2022-02-21 | | Release date: | 2022-03-30 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (1.82 Å) | | Cite: | In Vivo Photocontrol of Microtubule Dynamics and Integrity, Migration and Mitosis, by the Potent GFP-Imaging-Compatible Photoswitchable Reagents SBTubA4P and SBTub2M.
J.Am.Chem.Soc., 144, 2022
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7Z02
 | | Z-SBTub2M photoswitch bound to tubulin-DARPin D1 complex | | Descriptor: | 6-methyl-2-[2-(3,4,5-trimethoxyphenyl)ethyl]-1,3-benzothiazole, Designed Ankyrin Repeat Protein (DARPIN) D1, GUANOSINE-5'-DIPHOSPHATE, ... | | Authors: | Wranik, M, Weinert, T, Standfuss, J, Steinmetz, M. | | Deposit date: | 2022-02-21 | | Release date: | 2022-03-30 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (2.36 Å) | | Cite: | In Vivo Photocontrol of Microtubule Dynamics and Integrity, Migration and Mitosis, by the Potent GFP-Imaging-Compatible Photoswitchable Reagents SBTubA4P and SBTub2M.
J.Am.Chem.Soc., 144, 2022
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3E62
 | | Fragment based discovery of JAK-2 inhibitors | | Descriptor: | 5-bromo-1H-indazol-3-amine, Tyrosine-protein kinase JAK2 | | Authors: | Antonysamy, S, Fang, W, Hirst, G, Park, F, Russell, M, Smyth, L, Sprengeler, P, Stappenbeck, F, Steensma, R, Thompson, D.A, Wilson, M, Wong, M, Zhang, A, Zhang, F. | | Deposit date: | 2008-08-14 | | Release date: | 2008-10-14 | | Last modified: | 2012-02-08 | | Method: | X-RAY DIFFRACTION (1.922 Å) | | Cite: | Fragment-based discovery of JAK-2 inhibitors.
Bioorg.Med.Chem.Lett., 19, 2009
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3E63
 | | Fragment based discovery of JAK-2 inhibitors | | Descriptor: | 5-phenyl-1H-indazol-3-amine, Tyrosine-protein kinase JAK2 | | Authors: | Antonysamy, S, Fang, W, Hirst, G, Park, F, Russell, M, Smyth, L, Sprengeler, P, Stappenbeck, F, Steensma, R, Thompson, D.A, Wilson, M, Wong, M, Zhang, A, Zhang, F. | | Deposit date: | 2008-08-14 | | Release date: | 2008-10-14 | | Last modified: | 2012-02-08 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Fragment-based discovery of JAK-2 inhibitors.
Bioorg.Med.Chem.Lett., 19, 2009
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3E9T
 | | Crystal structure of Apo-form Calx CBD1 domain | | Descriptor: | CALCIUM ION, Na/Ca exchange protein | | Authors: | Wu, M, Zheng, L. | | Deposit date: | 2008-08-23 | | Release date: | 2009-09-01 | | Last modified: | 2024-05-22 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | Crystal structures of progressive Ca2+ binding states of the Ca2+ sensor Ca2+ binding domain 1 (CBD1) from the CALX Na+/Ca2+ exchanger reveal incremental conformational transitions.
J.Biol.Chem., 285, 2010
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8UOZ
 | | EmrE structure in the TPP-bound state (WT/E14Q heterodimer) | | Descriptor: | SMR family multidrug efflux protein EmrE, TETRAPHENYLPHOSPHONIUM | | Authors: | Li, J, Sae Her, A, Besch, A, Ramirez, B, Crames, M, Banigan, J.R, Mueller, C, Marsiglia, W.M, Zhang, Y, Traaseth, N.J. | | Deposit date: | 2023-10-20 | | Release date: | 2024-05-29 | | Last modified: | 2024-07-03 | | Method: | SOLID-STATE NMR, SOLUTION NMR | | Cite: | Dynamics underlie the drug recognition mechanism by the efflux transporter EmrE.
Nat Commun, 15, 2024
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8TYY
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8TYX
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6RY2
 | | Crystal structure of Dfg5 from Chaetomium thermophilum in complex with alpha-1,2-mannobiose | | Descriptor: | ACETATE ION, CALCIUM ION, Mannan endo-1,6-alpha-mannosidase, ... | | Authors: | Essen, L.-O, Vogt, M.S. | | Deposit date: | 2019-06-10 | | Release date: | 2020-08-12 | | Last modified: | 2020-09-16 | | Method: | X-RAY DIFFRACTION (1.3 Å) | | Cite: | Structural base for the transfer of GPI-anchored glycoproteins into fungal cell walls.
Proc.Natl.Acad.Sci.USA, 117, 2020
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6E17
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6E0X
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3AF2
 | | Pantothenate kinase from Mycobacterium tuberculosis (MtPanK) in complex with AMPPCP | | Descriptor: | GLYCEROL, PHOSPHOMETHYLPHOSPHONIC ACID ADENYLATE ESTER, Pantothenate kinase | | Authors: | Chetnani, B, Kumar, P, Surolia, A, Vijayan, M. | | Deposit date: | 2010-02-22 | | Release date: | 2010-05-26 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | M. tuberculosis pantothenate kinase: dual substrate specificity and unusual changes in ligand locations
J.Mol.Biol., 400, 2010
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8U00
 | | Crystal structure of metallo-beta-lactamase superfamily protein from Caulobacter vibrioides | | Descriptor: | 1,2-ETHANEDIOL, CHLORIDE ION, GLYCEROL, ... | | Authors: | Kim, Y, Maltseva, N, Endres, M, Joachimiak, A, Center for Structural Biology of Infectious Diseases (CSBID) | | Deposit date: | 2023-08-28 | | Release date: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (1.85 Å) | | Cite: | Crystal structure of metallo-beta-lactamase superfamily protein from Caulobacter vibrioides
To Be Published
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3AFJ
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9FQI
 | | E3 ligase Cbl-b in complex with a lactam scaffold inhibitor (compound 7) | | Descriptor: | 8-[3-[(4~{R})-4-methyl-2-oxidanylidene-piperidin-4-yl]phenyl]-3-[[(3~{S})-3-methylpiperidin-1-yl]methyl]-5-(trifluoromethyl)-1$l^{4},7,8-triazabicyclo[4.3.0]nona-1(6),2,4-trien-9-one, E3 ubiquitin-protein ligase CBL-B, SODIUM ION, ... | | Authors: | Schimpl, M. | | Deposit date: | 2024-06-17 | | Release date: | 2024-07-31 | | Method: | X-RAY DIFFRACTION (1.954 Å) | | Cite: | Accelerated Discovery of a Carbamate Scaffold Cbl-b Inhibitor using Generative Models and Structure-Based Drug Design
To be published
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7VI6
 | | Crystal structure of GH3 beta-N-acetylhexosaminidase Amuc_2109 from Akkermansia muciniphila | | Descriptor: | Beta-N-acetylhexosaminidase, CHLORIDE ION, MAGNESIUM ION | | Authors: | Qian, K, Yang, W, Chen, X, Wang, Y, Zhang, M, Wang, M. | | Deposit date: | 2021-09-26 | | Release date: | 2021-12-22 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Functional and structural characterization of a GH3 beta-N-acetylhexosaminidase from Akkermansia muciniphila involved in mucin degradation
Biochem.Biophys.Res.Commun., 589, 2022
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7VI7
 | | Crystal structure of GH3 beta-N-acetylhexosaminidase Amuc_2109 from Akkermansia muciniphila in complex with GlcNAc | | Descriptor: | 2-acetamido-2-deoxy-alpha-D-glucopyranose, Beta-N-acetylhexosaminidase, CHLORIDE ION, ... | | Authors: | Qian, K, Yang, W, Chen, X, Wang, Y, Zhang, M, Wang, M. | | Deposit date: | 2021-09-26 | | Release date: | 2021-12-22 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Functional and structural characterization of a GH3 beta-N-acetylhexosaminidase from Akkermansia muciniphila involved in mucin degradation
Biochem.Biophys.Res.Commun., 589, 2022
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