5ED8
 
 | | Crystal structure of CC2-SUN of mouse SUN2 | | Descriptor: | MAGNESIUM ION, MKIAA0668 protein | | Authors: | Nie, S, Ke, H.M, Gao, F, Ren, J.Q, Wang, M.Z, Huo, L, Gong, W.M, Feng, W. | | Deposit date: | 2015-10-21 | | Release date: | 2016-01-13 | | Last modified: | 2024-03-20 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Coiled-Coil Domains of SUN Proteins as Intrinsic Dynamic Regulators
Structure, 24, 2016
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2XA3
 | | crystal structure of the broadly neutralizing llama VHH D7 and its mode of HIV-1 gp120 interaction | | Descriptor: | LLAMA HEAVY CHAIN ANTIBODY D7, SULFATE ION | | Authors: | Hinz, A, Lutje Hulsik, D, Forsman, A, Koh, W, Belrhali, H, Gorlani, A, de Haard, H, Weiss, R.A, Verrips, T, Weissenhorn, W. | | Deposit date: | 2010-03-29 | | Release date: | 2010-05-26 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (1.5 Å) | | Cite: | Crystal structure of the neutralizing Llama V(HH) D7 and its mode of HIV-1 gp120 interaction.
PLoS ONE, 5, 2010
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1QE5
 | | PURINE NUCLEOSIDE PHOSPHORYLASE FROM CELLULOMONAS SP. IN COMPLEX WITH PHOSPHATE | | Descriptor: | CALCIUM ION, PENTOSYLTRANSFERASE, PHOSPHATE ION | | Authors: | Tebbe, J, Bzowska, A, Wielgus-Kutrowska, B, Schroeder, W, Kazimierczuk, Z, Shugar, D, Saenger, W, Koellner, G. | | Deposit date: | 1999-07-13 | | Release date: | 1999-12-12 | | Last modified: | 2023-08-16 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Crystal structure of the purine nucleoside phosphorylase (PNP) from Cellulomonas sp. and its implication for the mechanism of trimeric PNPs.
J.Mol.Biol., 294, 1999
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2XBY
 | | Factor Xa in complex with a pyrrolidine-3,4-dicarboxylic acid inhibitor | | Descriptor: | (3R,4R)-1-METHYLCARBAMOYLMETHYL-PYRROLIDINE-3,4-DICARBOXYLIC ACID 3-[(4-CHLORO-PHENYL)-AMIDE] 4-{[2-FLUORO-4-(2-OXO-2H-PYRIDIN-1-YL)-PHENYL]-AMIDE}, ACTIVATED FACTOR XA HEAVY CHAIN, CALCIUM ION, ... | | Authors: | Banner, D.W, Benz, J, Schlatter, D, Thomi, S, Haap, W. | | Deposit date: | 2010-04-15 | | Release date: | 2010-08-04 | | Last modified: | 2024-05-01 | | Method: | X-RAY DIFFRACTION (2.02 Å) | | Cite: | Discovery of a Factor Xa Inhibitor (3R,4R)-1-(2,2-Difluoro-Ethyl)-Pyrrolidine-3,4-Dicarboxylic Acid 3-[(5-Chloro-Pyridin-2-Yl)-Amide] 4-{[2-Fluoro-4-(2-Oxo-2H-Pyridin-1-Yl)-Phenyl]-Amide} as a Clinical Candidate.
Bioorg.Med.Chem., 20, 2010
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2XC4
 | | Factor Xa in complex with a pyrrolidine-3,4-dicarboxylic acid inhibitor | | Descriptor: | (3R,4R)-N-(4-CHLOROPHENYL)-N'-[2-FLUORO-4-(2-OXOPYRIDIN-1(2H)-YL)PHENYL]-1-(2,2,2-TRIFLUOROETHYL)PYRROLIDINE-3,4-DICARBOXAMIDE, ACTIVATED FACTOR XA HEAVY CHAIN, CALCIUM ION, ... | | Authors: | Banner, D.W, Benz, J, Schlatter, D, Thomi, S, Haap, W. | | Deposit date: | 2010-04-16 | | Release date: | 2010-08-04 | | Last modified: | 2024-05-01 | | Method: | X-RAY DIFFRACTION (1.67 Å) | | Cite: | Discovery of a Factor Xa Inhibitor (3R,4R)-1-(2,2-Difluoro-Ethyl)-Pyrrolidine-3,4-Dicarboxylic Acid 3-[(5-Chloro-Pyridin-2-Yl)-Amide] 4-{[2-Fluoro-4-(2-Oxo-2H-Pyridin-1-Yl)-Phenyl]-Amide} as a Clinical Candidate.
Bioorg.Med.Chem., 20, 2010
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2XC0
 | | Factor Xa in complex with a pyrrolidine-3,4-dicarboxylic acid inhibitor | | Descriptor: | (3R,4R)-1-METHANESULFONYL-PYRROLIDINE-3,4--DICARBOXYLIC ACID 3-[(3-FLUORO-4-METHOXY-PHENYL)-AMIDE] 4-{[2-FLUORO-4-(2-OXO-2H-PYRIDIN-1-YL)-PHENYL]-AMIDE}, ACTIVATED FACTOR XA HEAVY CHAIN, CALCIUM ION, ... | | Authors: | Banner, D.W, Benz, J, Schlatter, D, Anselm, L, Haap, W. | | Deposit date: | 2010-04-15 | | Release date: | 2010-08-04 | | Last modified: | 2024-05-01 | | Method: | X-RAY DIFFRACTION (2.05 Å) | | Cite: | Discovery of a Factor Xa Inhibitor (3R,4R)-1-(2,2-Difluoro-Ethyl)-Pyrrolidine-3,4-Dicarboxylic Acid 3-[(5-Chloro-Pyridin-2-Yl)-Amide] 4-{[2-Fluoro-4-(2-Oxo-2H-Pyridin-1-Yl)-Phenyl]-Amide} as a Clinical Candidate.
Bioorg.Med.Chem., 20, 2010
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2XBV
 | | Factor Xa in complex with a pyrrolidine-3,4-dicarboxylic acid inhibitor | | Descriptor: | (3R,4R)-1-(2,2-DIFLUORO-ETHYL)-PYRROLIDINE-3,4-DICARBOXYLIC ACID 3-[(5-CHLORO-PYRIDIN-2-YL)-AMIDE]-4-{[2-FLUORO-4-(2-OXO-2H-PYRIDIN-1-YL)-PHENYL]-AMIDE}, ACTIVATED FACTOR XA HEAVY CHAIN, CALCIUM ION, ... | | Authors: | Banner, D.W, Benz, J, Schlatter, D, Anselm, L, Haap, W. | | Deposit date: | 2010-04-15 | | Release date: | 2010-08-04 | | Last modified: | 2011-07-13 | | Method: | X-RAY DIFFRACTION (1.66 Å) | | Cite: | Discovery of a Factor Xa Inhibitor (3R,4R)-1-(2,2-Difluoro-Ethyl)-Pyrrolidine-3,4-Dicarboxylic Acid 3-[(5-Chloro-Pyridin-2-Yl)-Amide] 4-{[2-Fluoro-4-(2-Oxo-2H-Pyridin-1-Yl)-Phenyl]-Amide} as a Clinical Candidate.
Bioorg.Med.Chem., 20, 2010
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2D2D
 | | Crystal Structure Of SARS-CoV Mpro in Complex with an Inhibitor I2 | | Descriptor: | 3C-like proteinase, ETHYL (2E,4S)-4-[((2R)-2-{[N-(TERT-BUTOXYCARBONYL)-L-VALYL]AMINO}-2-PHENYLETHANOYL)AMINO]-5-[(3S)-2-OXOPYRROLIDIN-3-YL]PENT-2-ENOATE | | Authors: | Yang, H, Bartlam, M, Xue, X, Yang, K, Liang, W, Ding, Y, Rao, Z. | | Deposit date: | 2005-09-08 | | Release date: | 2005-09-20 | | Last modified: | 2011-07-13 | | Method: | X-RAY DIFFRACTION (2.7 Å) | | Cite: | Design of Wide-Spectrum Inhibitors Targeting Coronavirus Main Proteases.
Plos Biol., 3, 2005
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1TOC
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3SKS
 | | Crystal structure of a putative oligoendopeptidase F from Bacillus anthracis str. Ames | | Descriptor: | PHOSPHATE ION, Putative Oligoendopeptidase F, ZINC ION | | Authors: | Wajerowicz, W, Onopriyenko, O, Porebski, P, Domagalski, M, Chruszcz, M, Savchenko, A, Anderson, W, Minor, W, Center for Structural Genomics of Infectious Diseases (CSGID) | | Deposit date: | 2011-06-23 | | Release date: | 2011-07-06 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (2.05 Å) | | Cite: | Crystal structure of a putative oligoendopeptidase F from Bacillus anthracis str. Ames
TO BE PUBLISHED
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2FDS
 | | Crystal Structure of Plasmodium Berghei Orotidine 5'-monophosphate Decarboxylase (ortholog of Plasmodium falciparum PF10_0225) | | Descriptor: | IODIDE ION, orotidine-monophosphate-decarboxylase | | Authors: | Qiu, W, Dong, A, Wasney, G, Vedadi, M, Lew, J, Kozieradski, I, Alam, Z, Melone, M, Weigelt, J, Sundstrom, M, Edwards, A, Arrowsmith, C, Hui, R, Gao, M, Bochkarev, A, Artz, J.D, Structural Genomics Consortium (SGC) | | Deposit date: | 2005-12-14 | | Release date: | 2005-12-20 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (1.72 Å) | | Cite: | Genome-scale protein expression and structural biology of Plasmodium falciparum and related Apicomplexan organisms.
Mol.Biochem.Parasitol., 151, 2007
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2FEQ
 | | orally active thrombin inhibitors | | Descriptor: | Decapeptide Hirudin Analogue, N-(CARBOXYMETHYL)-3-CYCLOHEXYL-D-ALANYL-N-({4-[(E)-AMINO(IMINO)METHYL]-1,3-THIAZOL-2-YL}METHYL)-L-PROLINAMIDE, Thrombin heavy chain, ... | | Authors: | Mack, H, Baucke, D, Hornberger, W, Lange, U.E.W, Hoeffken, H.W. | | Deposit date: | 2005-12-16 | | Release date: | 2006-08-08 | | Last modified: | 2018-04-04 | | Method: | X-RAY DIFFRACTION (2.44 Å) | | Cite: | Orally active thrombin inhibitors. Part 1: optimization of the P1-moiety
Bioorg.Med.Chem.Lett., 16, 2006
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9FST
 | | Yeast 20S proteasome with human beta1i (1-51) in complex with epoxyketone inhibitor LU-001i | | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CHLORIDE ION, MAGNESIUM ION, ... | | Authors: | Maurits, E, Huber, E.M, Dekker, P.M, Wang, X, Heinemeyer, W, Florea, B.I, Groll, M, Overkleeft, H.S. | | Deposit date: | 2024-06-21 | | Release date: | 2024-07-17 | | Method: | X-RAY DIFFRACTION (2.75 Å) | | Cite: | Structure-based design of peptide epoxyketones selectively targeting the three human immunoproteasome active sites
To Be Published
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9CVF
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9BI8
 | | Crystal structure of inhibitor GNE-6893 bound to HPK1 | | Descriptor: | (3R,4S)-4-methyloxolan-3-yl [(6P)-8-amino-7-fluoro-6-(8-methyl-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazin-7-yl)isoquinolin-3-yl]carbamate, DIMETHYL SULFOXIDE, Mitogen-activated protein kinase kinase kinase kinase 1, ... | | Authors: | Kiefer, J.R, Tellis, J.C, Chan, B.K, Wang, W, Wu, P, Choo, E.F, Heffron, T.P, Wei, B, Siu, M. | | Deposit date: | 2024-04-22 | | Release date: | 2024-10-02 | | Method: | X-RAY DIFFRACTION (2.25 Å) | | Cite: | Discovery of GNE-6893, a Potent, Selective, Orally Bioavailable Small Molecule Inhibitor of HPK1.
Acs Med.Chem.Lett., 15, 2024
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9FJO
 | | Structure of the undecorated pointed end of F-actin | | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, Actin, alpha skeletal muscle, ... | | Authors: | Boiero Sanders, M, Oosterheert, W, Hofnagel, O, Bieling, P, Raunser, S. | | Deposit date: | 2024-05-31 | | Release date: | 2024-09-11 | | Last modified: | 2024-10-02 | | Method: | ELECTRON MICROSCOPY (3.05 Å) | | Cite: | Phalloidin and DNase I-bound F-actin pointed end structures reveal principles of filament stabilization and disassembly.
Nat Commun, 15, 2024
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9CA1
 | | Human TOP3B-TDRD3 core complex in DNA religation state | | Descriptor: | DNA (5'-D(*AP*TP*T)-3'), DNA (5'-D(P*TP*AP*CP*TP*AP*AP*A)-3'), DNA topoisomerase 3-beta-1, ... | | Authors: | Yang, X, Chen, X, Yang, W, Pommier, Y. | | Deposit date: | 2024-06-16 | | Release date: | 2024-07-17 | | Method: | ELECTRON MICROSCOPY (3.26 Å) | | Cite: | Structural Insights into human Topoisomerase 3-beta DNA and RNA catalytic cycles and topo-gate dynamics
To Be Published
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9CVE
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9B3Q
 | | The structure of the human cardiac F-actin mutant A331P | | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, Actin, alpha cardiac muscle 1, ... | | Authors: | Doran, M.H, Sousa, D, Rynkiewicz, M.J, Lehman, W, Cammarato, A. | | Deposit date: | 2024-03-20 | | Release date: | 2024-05-29 | | Method: | ELECTRON MICROSCOPY (3.6 Å) | | Cite: | Structure of human cardiac actin
To Be Published
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9C9Y
 | | Human TOP3B-TDRD3 core complex in DNA pre-cleavage state | | Descriptor: | DNA (5'-D(P*AP*CP*TP*AP*AP*AP*AP*T)-3'), DNA topoisomerase 3-beta-1, MANGANESE (II) ION, ... | | Authors: | Yang, X, Chen, X, Yang, W, Pommier, Y. | | Deposit date: | 2024-06-16 | | Release date: | 2024-07-17 | | Method: | ELECTRON MICROSCOPY (3.35 Å) | | Cite: | Structural Insights into human Topoisomerase 3-beta DNA and RNA catalytic cycles and topo-gate dynamics
To Be Published
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9B6G
 | | Cryo-EM structure of the mouse TRPM8 channel in complex with the antagonist AMTB | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, CHOLESTEROL HEMISUCCINATE, N-(3-aminopropyl)-2-[(3-methylphenyl)methoxy]-N-[(thiophen-2-yl)methyl]benzamide, ... | | Authors: | Yin, Y, Park, C.-G, Zhang, F, Fedor, J, Feng, S, Suo, Y, Im, W, Lee, S.-Y. | | Deposit date: | 2024-03-25 | | Release date: | 2024-08-21 | | Method: | ELECTRON MICROSCOPY (2.81 Å) | | Cite: | Mechanisms of sensory adaptation and inhibition of the cold and menthol receptor TRPM8.
Sci Adv, 10, 2024
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9CA0
 | | Human TOP3B-TDRD3 core complex in DNA pre-cleavage state | | Descriptor: | DNA (5'-D(*AP*TP*T)-3'), DNA (5'-D(P*TP*AP*CP*TP*AP*AP*A)-3'), DNA topoisomerase 3-beta-1, ... | | Authors: | Yang, X, Chen, X, Yang, W, Pommier, Y. | | Deposit date: | 2024-06-16 | | Release date: | 2024-07-17 | | Method: | ELECTRON MICROSCOPY (3.48 Å) | | Cite: | Structural Insights into human Topoisomerase 3-beta DNA and RNA catalytic cycles and topo-gate dynamics
To Be Published
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9B6F
 | | Cryo-EM structure of the mouse TRPM8 channel in complex with the antagonist AMG2850 | | Descriptor: | (8R)-8-[4-(trifluoromethyl)phenyl]-N-[(2S)-1,1,1-trifluoropropan-2-yl]-5,8-dihydro-1,7-naphthyridine-7(6H)-carboxamide, CHOLESTEROL HEMISUCCINATE, Transient receptor potential cation channel subfamily M member 8 | | Authors: | Yin, Y, Park, C.-G, Zhang, F, Fedor, J, Feng, S, Suo, Y, Im, W, Lee, S.-Y. | | Deposit date: | 2024-03-25 | | Release date: | 2024-08-21 | | Method: | ELECTRON MICROSCOPY (3.42 Å) | | Cite: | Mechanisms of sensory adaptation and inhibition of the cold and menthol receptor TRPM8.
Sci Adv, 10, 2024
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9BIK
 | | Crystal structure of inhibitor 1 bound to HPK1 | | Descriptor: | (1S,2S)-N-[(6P)-8-amino-6-(4-methylpyridin-3-yl)isoquinolin-3-yl]-2-cyanocyclopropane-1-carboxamide, 1,2-ETHANEDIOL, Mitogen-activated protein kinase kinase kinase kinase 1 | | Authors: | Kiefer, J.T, Tellis, J.C, Chan, B.K, Wang, W, Wu, P, Siu, M, Heffron, T.P, Choo, E.F. | | Deposit date: | 2024-04-23 | | Release date: | 2024-10-02 | | Method: | X-RAY DIFFRACTION (2.25 Å) | | Cite: | Discovery of GNE-6893, a Potent, Selective, Orally Bioavailable Small Molecule Inhibitor of HPK1.
Acs Med.Chem.Lett., 15, 2024
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9FJY
 | | Structure of the DNase I- and phalloidin-bound pointed end of F-actin (conformer 2). | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ADENOSINE-5'-DIPHOSPHATE, Actin, ... | | Authors: | Boiero Sanders, M, Oosterheert, W, Hofnagel, O, Bieling, P, Raunser, S. | | Deposit date: | 2024-05-31 | | Release date: | 2024-09-11 | | Last modified: | 2024-10-02 | | Method: | ELECTRON MICROSCOPY (3.79 Å) | | Cite: | Phalloidin and DNase I-bound F-actin pointed end structures reveal principles of filament stabilization and disassembly.
Nat Commun, 15, 2024
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