4YAY
 
 | | XFEL structure of human Angiotensin Receptor | | Descriptor: | 5,7-diethyl-1-{[2'-(1H-tetrazol-5-yl)biphenyl-4-yl]methyl}-3,4-dihydro-1,6-naphthyridin-2(1H)-one, Soluble cytochrome b562,Type-1 angiotensin II receptor | | Authors: | Zhang, H, Unal, H, Gati, C, Han, G.W, Zatsepin, N.A, James, D, Wang, D, Nelson, G, Weierstall, U, Messerschmidt, M, Williams, G.J, Boutet, S, Yefanov, O.M, White, T.A, Liu, W, Ishchenko, A, Tirupula, K.C, Desnoyer, R, Sawaya, M.C, Xu, Q, Coe, J, Cornrad, C.E, Fromme, P, Stevens, R.C, Katritch, V, Karnik, S.S, Cherezov, V, GPCR Network (GPCR) | | Deposit date: | 2015-02-18 | | Release date: | 2015-04-22 | | Last modified: | 2023-08-16 | | Method: | X-RAY DIFFRACTION (2.9 Å) | | Cite: | Structure of the Angiotensin receptor revealed by serial femtosecond crystallography.
Cell, 161, 2015
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6Q7V
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2ZVW
 | | Crystal structure of Proliferating cell nuclear antigen 2 and Short peptide from human P21 | | Descriptor: | Cyclin-dependent kinase inhibitor 1, Proliferating cell nuclear antigen 2, SULFATE ION | | Authors: | Strzalka, W, Oyama, T, Tori, K, Morikawa, K. | | Deposit date: | 2008-11-21 | | Release date: | 2009-06-02 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Crystal structures of the Arabidopsis thaliana proliferating cell nuclear antigen 1 and 2 proteins complexed with the human p21 C-terminal segment
Protein Sci., 18, 2009
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4YF2
 | | Crystal structure of mouse sperm C-type lysozyme-like protein 1 | | Descriptor: | Sperm acrosome membrane-associated protein 3 | | Authors: | Zheng, H, Mandal, A, Shumilin, I.A, Shabalin, I.G, Herr, J.C, Minor, W. | | Deposit date: | 2015-02-24 | | Release date: | 2015-03-11 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (2.15 Å) | | Cite: | Sperm Lysozyme-Like Protein 1 (SLLP1), an intra-acrosomal oolemmal-binding sperm protein, reveals filamentous organization in protein crystal form.
Andrology, 3, 2015
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6Q8K
 | | CLK1 with bound pyridoquinazoline | | Descriptor: | 1,2-ETHANEDIOL, Dual specificity protein kinase CLK1, ~{N}2-(3-morpholin-4-ylpropyl)pyrido[3,4-g]quinazoline-2,10-diamine | | Authors: | Schroeder, M, Tazarki, H, Zeinyeh, W, Esvan, Y.J, Khiari, J, Joesselin, B, Bach, S, Ruchaud, S, Anizon, F, Giraud, F, Moreau, P, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Knapp, S, Structural Genomics Consortium (SGC) | | Deposit date: | 2018-12-14 | | Release date: | 2019-02-20 | | Last modified: | 2024-05-15 | | Method: | X-RAY DIFFRACTION (2.29 Å) | | Cite: | New pyrido[3,4-g]quinazoline derivatives as CLK1 and DYRK1A inhibitors: synthesis, biological evaluation and binding mode analysis.
Eur J Med Chem, 166, 2019
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2Z8R
 | | Crystal structure of rhamnogalacturonan lyase YesW at 1.40 A resolution | | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, CALCIUM ION, YesW protein | | Authors: | Ochiai, A, Itoh, T, Maruyama, Y, Kawamata, A, Mikami, B, Hashimoto, W, Murata, K. | | Deposit date: | 2007-09-10 | | Release date: | 2007-10-16 | | Last modified: | 2024-03-13 | | Method: | X-RAY DIFFRACTION (1.4 Å) | | Cite: | A Novel Structural Fold in Polysaccharide Lyases: BACILLUS SUBTILIS FAMILY 11 RHAMNOGALACTURONAN LYASE YesW WITH AN EIGHT-BLADED -PROPELLER
J.Biol.Chem., 282, 2007
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2ZAA
 | | Crystal Structure of Family 7 Alginate Lyase A1-II' H191N/Y284F in Complex with Substrate (GGMG) | | Descriptor: | 4-deoxy-alpha-L-erythro-hex-4-enopyranuronic acid-(1-4)-alpha-L-gulopyranuronic acid-(1-4)-beta-D-mannopyranuronic acid-(1-4)-alpha-L-gulopyranuronic acid, Alginate lyase, GLYCEROL | | Authors: | Ogura, K, Yamasaki, M, Mikami, B, Hashimoto, W, Murata, K. | | Deposit date: | 2007-10-02 | | Release date: | 2008-05-27 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Substrate Recognition in Tunnel of Family 7 Alginate Lyase from Sphingomonas sp. A1
To be Published
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2ZVV
 | | Crystal structure of Proliferating cellular nuclear antigen 1 and Short peptide from human P21 | | Descriptor: | Cyclin-dependent kinase inhibitor 1, Proliferating cellular nuclear antigen 1, SULFATE ION | | Authors: | Strzalka, W, Oyama, T, Tori, K, Morikawa, K. | | Deposit date: | 2008-11-21 | | Release date: | 2009-06-02 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Crystal structures of the Arabidopsis thaliana proliferating cell nuclear antigen 1 and 2 proteins complexed with the human p21 C-terminal segment
Protein Sci., 18, 2009
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4YS5
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2Z8S
 | | Crystal structure of rhamnogalacturonan lyase YesW complexed with digalacturonic acid | | Descriptor: | CALCIUM ION, YesW protein, alpha-D-galactopyranuronic acid-(1-4)-alpha-D-galactopyranuronic acid | | Authors: | Ochiai, A, Itoh, T, Maruyama, Y, Kawamata, A, Mikami, B, Hashimoto, W, Murata, K. | | Deposit date: | 2007-09-10 | | Release date: | 2007-10-16 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | A Novel Structural Fold in Polysaccharide Lyases: BACILLUS SUBTILIS FAMILY 11 RHAMNOGALACTURONAN LYASE YesW WITH AN EIGHT-BLADED -PROPELLER
J.Biol.Chem., 282, 2007
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4CDU
 | | Crystal structure of human Enterovirus 71 in complex with the uncoating inhibitor GPP3 | | Descriptor: | 1-[(3S)-5-[4-[(E)-ETHOXYIMINOMETHYL]PHENOXY]-3-METHYL-PENTYL]-3-PYRIDIN-4-YL-IMIDAZOLIDIN-2-ONE, CHLORIDE ION, SODIUM ION, ... | | Authors: | De Colibus, L, Wang, X, Spyrou, J.A.B, Kelly, J, Ren, J, Grimes, J, Puerstinger, G, Stonehouse, N, Walter, T.S, Hu, Z, Wang, J, Li, X, Peng, W, Rowlands, D, Fry, E.E, Rao, Z, Stuart, D.I. | | Deposit date: | 2013-11-06 | | Release date: | 2014-02-12 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (2.8 Å) | | Cite: | More-Powerful Virus Inhibitors from Structure-Based Analysis of Hev71 Capsid-Binding Molecules
Nat.Struct.Mol.Biol., 21, 2014
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3C4C
 | | B-Raf Kinase in Complex with PLX4720 | | Descriptor: | B-Raf proto-oncogene serine/threonine-protein kinase, N-{3-[(5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)carbonyl]-2,4-difluorophenyl}propane-1-sulfonamide | | Authors: | Zhang, K.Y.J, Wang, W. | | Deposit date: | 2008-01-29 | | Release date: | 2008-02-26 | | Last modified: | 2024-02-21 | | Method: | X-RAY DIFFRACTION (2.57 Å) | | Cite: | Discovery of a selective inhibitor of oncogenic B-Raf kinase with potent antimelanoma activity
Proc.Natl.Acad.Sci.Usa, 105, 2008
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6PS5
 | | XFEL beta2 AR structure by ligand exchange from Timolol to Propranolol. | | Descriptor: | (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, 1-(ISOPROPYLAMINO)-3-(1-NAPHTHYLOXY)-2-PROPANOL, CHOLESTEROL, ... | | Authors: | Ishchenko, A, Stauch, B, Han, G.W, Batyuk, A, Shiriaeva, A, Li, C, Zatsepin, N.A, Weierstall, U, Liu, W, Nango, E, Nakane, T, Tanaka, R, Tono, K, Joti, Y, Iwata, S, Moraes, I, Gati, C, Cherezov, C. | | Deposit date: | 2019-07-12 | | Release date: | 2019-11-13 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (2.9 Å) | | Cite: | Toward G protein-coupled receptor structure-based drug design using X-ray lasers.
Iucrj, 6, 2019
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7O0Y
 | | ABC transporter NosDFY, nucleotide-free in GDN | | Descriptor: | MAGNESIUM ION, Probable ABC transporter ATP-binding protein NosF, Probable ABC transporter binding protein NosD, ... | | Authors: | Mueller, C, Zhang, L, Lu, W, Einsle, O, Du, J. | | Deposit date: | 2021-03-28 | | Release date: | 2022-04-13 | | Last modified: | 2024-07-10 | | Method: | ELECTRON MICROSCOPY (3.3 Å) | | Cite: | Molecular interplay of an assembly machinery for nitrous oxide reductase.
Nature, 608, 2022
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7O15
 | | ABC transporter NosDFY, nucleotide-free in lipid nanodisc, R-domain 2 | | Descriptor: | MAGNESIUM ION, Probable ABC transporter ATP-binding protein NosF, Probable ABC transporter binding protein NosD, ... | | Authors: | Mueller, C, Zhang, L, Lu, W, Einsle, O, Du, J. | | Deposit date: | 2021-03-28 | | Release date: | 2022-04-13 | | Last modified: | 2024-07-10 | | Method: | ELECTRON MICROSCOPY | | Cite: | Molecular interplay of an assembly machinery for nitrous oxide reductase.
Nature, 608, 2022
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7O16
 | | ABC transporter NosDFY, nucleotide-free in lipid nanodisc, R-domain 3 | | Descriptor: | MAGNESIUM ION, Probable ABC transporter ATP-binding protein NosF, Probable ABC transporter binding protein NosD, ... | | Authors: | Mueller, C, Zhang, L, Lu, W, Einsle, O, Du, J. | | Deposit date: | 2021-03-28 | | Release date: | 2022-04-13 | | Last modified: | 2024-07-10 | | Method: | ELECTRON MICROSCOPY | | Cite: | Molecular interplay of an assembly machinery for nitrous oxide reductase.
Nature, 608, 2022
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6PS2
 | | XFEL beta2 AR structure by ligand exchange from Timolol to Alprenolol. | | Descriptor: | (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, (2S)-1-[(1-methylethyl)amino]-3-(2-prop-2-en-1-ylphenoxy)propan-2-ol, (2S)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, ... | | Authors: | Ishchenko, A, Stauch, B, Han, G.W, Batyuk, A, Shiriaeva, A, Li, C, Zatsepin, N.A, Weierstall, U, Liu, W, Nango, E, Nakane, T, Tanaka, R, Tono, K, Joti, Y, Iwata, S, Moraes, I, Gati, C, Cherezov, C. | | Deposit date: | 2019-07-12 | | Release date: | 2019-11-13 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Toward G protein-coupled receptor structure-based drug design using X-ray lasers.
Iucrj, 6, 2019
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6DGE
 | | Crystal structure of the dimethylarginine dimethylaminohydrolase adduct with N5-(1-imino-2-chloroethyl)-L-lysine | | Descriptor: | N(G),N(G)-dimethylarginine dimethylaminohydrolase 1, N~6~-[(1E)-2-chloroethanimidoyl]-L-lysine | | Authors: | Monzingo, A.F, Burstein-Teitelbaum, G, Er, J.A.V, Tuley, A, Fast, W. | | Deposit date: | 2018-05-17 | | Release date: | 2018-07-25 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (1.91 Å) | | Cite: | Dissection, Optimization, and Structural Analysis of a Covalent Irreversible DDAH1 Inhibitor.
Biochemistry, 57, 2018
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7O14
 | | ABC transporter NosDFY, nucleotide-free in lipid nanodisc, R-domain 1 | | Descriptor: | MAGNESIUM ION, Probable ABC transporter ATP-binding protein NosF, Probable ABC transporter binding protein NosD, ... | | Authors: | Mueller, C, Zhang, L, Lu, W, Einsle, O, Du, J. | | Deposit date: | 2021-03-28 | | Release date: | 2022-04-13 | | Last modified: | 2024-07-10 | | Method: | ELECTRON MICROSCOPY | | Cite: | Molecular interplay of an assembly machinery for nitrous oxide reductase.
Nature, 608, 2022
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1KMF
 | | NMR STRUCTURE OF HUMAN INSULIN MUTANT ILE-A2-ALLO-ILE, HIS-B10-ASP, PRO-B28-LYS, LYS-B29-PRO, 15 STRUCTURES | | Descriptor: | Insulin | | Authors: | Xu, B, Hua, Q.X, Nakagawa, S.H, Jia, W, Chu, Y.C, Katsoyannis, P.G, Weiss, M.A. | | Deposit date: | 2001-12-14 | | Release date: | 2002-01-09 | | Last modified: | 2021-10-27 | | Method: | SOLUTION NMR | | Cite: | Chiral mutagenesis of insulin's hidden receptor-binding surface: structure of an allo-isoleucine(A2) analogue.
J.Mol.Biol., 316, 2002
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7O2L
 | | Yeast 20S proteasome in complex with the covalently bound inhibitor b-lactone (2R,3S)-3-isopropyl-4-oxo-2-oxetane-carboxylate (IOC) | | Descriptor: | (2 {R},3 {S})-3-methanoyl-4-methyl-2-hydroxy-pentanoic acid, 20S proteasome, BJ4_G0020160.mRNA.1.CDS.1, ... | | Authors: | Shi, Y.M, Hirschmann, M, Shi, Y.N, Shabbir, A, Abebew, D, Tobias, N.J, Gruen, P, Crames, J.J, Poeschel, L, Kuttenlochner, W, Richter, C, Herrmann, J, Mueller, R, Thanwisai, A, Pidot, S.J, Stinear, T.P, Groll, M, Kim, Y, Bode, H. | | Deposit date: | 2021-03-30 | | Release date: | 2022-04-13 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (3 Å) | | Cite: | Global analysis of biosynthetic gene clusters reveals conserved and unique natural products in entomopathogenic nematode-symbiotic bacteria.
Nat.Chem., 14, 2022
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7O12
 | | ABC transporter NosDFY, AMPPNP-bound in GDN | | Descriptor: | MAGNESIUM ION, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER, Probable ABC transporter ATP-binding protein NosF, ... | | Authors: | Mueller, C, Zhang, L, Lu, W, Einsle, O, Du, J. | | Deposit date: | 2021-03-28 | | Release date: | 2022-04-13 | | Last modified: | 2024-07-10 | | Method: | ELECTRON MICROSCOPY (3.7 Å) | | Cite: | Molecular interplay of an assembly machinery for nitrous oxide reductase.
Nature, 608, 2022
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4Y5S
 | | Structure of FtmOx1 with a-Ketoglutarate as co-substrate | | Descriptor: | 2-OXOGLUTARIC ACID, COBALT (II) ION, FE (II) ION, ... | | Authors: | Yan, W, Zhang, Y. | | Deposit date: | 2015-02-12 | | Release date: | 2015-11-04 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (2.543 Å) | | Cite: | Endoperoxide formation by an alpha-ketoglutarate-dependent mononuclear non-haem iron enzyme.
Nature, 527, 2015
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3BY2
 | | Norwalk P polypeptide (228-523) | | Descriptor: | 58 kd capsid protein | | Authors: | Hegde, R, Bu, W. | | Deposit date: | 2008-01-15 | | Release date: | 2008-04-22 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (2.6 Å) | | Cite: | Structural basis for the receptor binding specificity of Norwalk virus.
J.Virol., 82, 2008
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6PUU
 | | Human TRPM2 bound to 8-Br-cADPR and calcium | | Descriptor: | (2R,3R,4S,5R,13R,14S,15R,16R)-24-amino-18-bromo-3,4,14,15-tetrahydroxy-7,9,11,25,26-pentaoxa-17,19,22-triaza-1-azonia-8 ,10-diphosphapentacyclo[18.3.1.1^2,5^.1^13,16^.0^17,21^]hexacosa-1(24),18,20,22-tetraene-8,10-diolate 8,10-dioxide, CALCIUM ION, Transient receptor potential cation channel subfamily M member 2 | | Authors: | Du, J, Lu, W, Huang, Y. | | Deposit date: | 2019-07-18 | | Release date: | 2019-09-25 | | Last modified: | 2024-03-20 | | Method: | ELECTRON MICROSCOPY (3.7 Å) | | Cite: | Ligand recognition and gating mechanism through three ligand-binding sites of human TRPM2 channel.
Elife, 8, 2019
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