5FX5
| Novel inhibitors of human rhinovirus 3C protease | Descriptor: | GLYCEROL, RHINOVIRUS 3C PROTEASE, TETRAETHYLENE GLYCOL, ... | Authors: | Kawatkar, S, Ek, M, Hoesch, V, Gagnon, M, Nilsson, E, Lister, T, Olsson, L, Patel, J, Yu, Q. | Deposit date: | 2016-02-24 | Release date: | 2016-06-22 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Design and Structure-Activity Relationships of Novel Inhibitors of Human Rhinovirus 3C Protease. Bioorg.Med.Chem.Lett., 26, 2016
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7VVL
| PTH-bound human PTH1R in complex with Gs (class2) | Descriptor: | Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, Guanine nucleotide-binding protein G(I)/G(S)/G(T) subunit beta-1, Guanine nucleotide-binding protein G(s) subunit alpha isoforms short, ... | Authors: | Kobayashi, K, Kusakizako, T, Miyauchi, H, Tomita, A, Kobayashi, K, Shihoya, W, Yamashita, K, Nishizawa, T, Kato, H.E, Nureki, O. | Deposit date: | 2021-11-06 | Release date: | 2022-08-03 | Last modified: | 2023-02-15 | Method: | ELECTRON MICROSCOPY (2.8 Å) | Cite: | Endogenous ligand recognition and structural transition of a human PTH receptor. Mol.Cell, 82, 2022
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7ZY0
| Crystal structure of compound 7 bound to CK2alpha | Descriptor: | 2-(5-bromanyl-1~{H}-indol-3-yl)ethanenitrile, ADENOSINE-5'-DIPHOSPHATE, Casein kinase II subunit alpha | Authors: | Brear, P, Fusco, C, Atkinson, E, Rossmann, M, Francis, N, Iegre, J, Hyvonen, M, Spring, D. | Deposit date: | 2022-05-23 | Release date: | 2022-10-12 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (1.44 Å) | Cite: | A fragment-based approach leading to the discovery of inhibitors of CK2 alpha with a novel mechanism of action. Rsc Med Chem, 13, 2022
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2AU8
| Catalytic intermediate structure of inorganic pyrophosphatase | Descriptor: | CHLORIDE ION, Inorganic pyrophosphatase, MANGANESE (II) ION, ... | Authors: | Samygina, V.R, Popov, A.N, Avaeva, S.M, Bartunik, H.D. | Deposit date: | 2005-08-27 | Release date: | 2006-08-29 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (1.65 Å) | Cite: | Reversible inhibition of Escherichia coli inorganic pyrophosphatase by fluoride: trapped catalytic intermediates in cryo-crystallographic studies J.Mol.Biol., 366, 2007
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7VUT
| Crystal structure of AlleyCat10 | Descriptor: | AlleyCat10, CALCIUM ION | Authors: | Tame, J.R.H, Korendovych, I.V, Margheritis, E, Takahashi, K. | Deposit date: | 2021-11-04 | Release date: | 2022-07-27 | Last modified: | 2024-05-29 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | NMR-guided directed evolution. Nature, 610, 2022
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7VVN
| PTH-bound human PTH1R in complex with Gs (class4) | Descriptor: | Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, Guanine nucleotide-binding protein G(I)/G(S)/G(T) subunit beta-1, Guanine nucleotide-binding protein G(s) subunit alpha isoforms short, ... | Authors: | Kobayashi, K, Kusakizako, T, Miyauchi, H, Tomita, A, Kobayashi, K, Shihoya, W, Yamashita, K, Nishizawa, T, Kato, H.E, Nureki, O. | Deposit date: | 2021-11-06 | Release date: | 2022-08-03 | Last modified: | 2023-02-15 | Method: | ELECTRON MICROSCOPY (3.8 Å) | Cite: | Endogenous ligand recognition and structural transition of a human PTH receptor. Mol.Cell, 82, 2022
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7VVK
| PTH-bound human PTH1R in complex with Gs (class1) | Descriptor: | Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, Guanine nucleotide-binding protein G(I)/G(S)/G(T) subunit beta-1, Guanine nucleotide-binding protein G(s) subunit alpha isoforms short, ... | Authors: | Kobayashi, K, Kusakizako, T, Miyauchi, H, Tomita, A, Kobayashi, K, Shihoya, W, Yamashita, K, Nishizawa, T, Kato, H.E, Nureki, O. | Deposit date: | 2021-11-06 | Release date: | 2022-08-03 | Last modified: | 2023-02-15 | Method: | ELECTRON MICROSCOPY (3.3 Å) | Cite: | Endogenous ligand recognition and structural transition of a human PTH receptor. Mol.Cell, 82, 2022
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7D98
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5MK9
| Maltodextrin binding protein MalE1 from L. casei BL23 bound to beta-cyclodextrin | Descriptor: | CHLORIDE ION, Cycloheptakis-(1-4)-(alpha-D-glucopyranose), MalE1 | Authors: | Homburg, C, Bommer, M, Wuttge, S, Hobe, C, Beck, S, Dobbek, H, Deutscher, J, Licht, A, Schneider, E. | Deposit date: | 2016-12-02 | Release date: | 2017-07-05 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (0.919 Å) | Cite: | Inducer exclusion in Firmicutes: insights into the regulation of a carbohydrate ATP binding cassette transporter from Lactobacillus casei BL23 by the signal transducing protein P-Ser46-HPr. Mol. Microbiol., 105, 2017
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7VVM
| PTH-bound human PTH1R in complex with Gs (class3) | Descriptor: | Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, Guanine nucleotide-binding protein G(I)/G(S)/G(T) subunit beta-1, Guanine nucleotide-binding protein G(s) subunit alpha isoforms short, ... | Authors: | Kobayashi, K, Kusakizako, T, Miyauchi, H, Tomita, A, Kobayashi, K, Shihoya, W, Yamashita, K, Nishizawa, T, Kato, H.E, Nureki, O. | Deposit date: | 2021-11-06 | Release date: | 2022-08-03 | Last modified: | 2023-02-15 | Method: | ELECTRON MICROSCOPY (3.2 Å) | Cite: | Endogenous ligand recognition and structural transition of a human PTH receptor. Mol.Cell, 82, 2022
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2GPN
| 100 K STRUCTURE OF GLYCOGEN PHOSPHORYLASE AT 2.0 ANGSTROMS RESOLUTION | Descriptor: | GLYCOGEN PHOSPHORYLASE B | Authors: | Gregoriou, M, Noble, M.E.M, Watson, K.A, Garman, E.F, Krulle, T.M, De La Fuente, C, Fleet, G.W.J, Oikonomakos, N.G, Johnson, L.N. | Deposit date: | 1998-03-26 | Release date: | 1998-07-01 | Last modified: | 2023-08-09 | Method: | X-RAY DIFFRACTION (1.99 Å) | Cite: | The structure of a glycogen phosphorylase glucopyranose spirohydantoin complex at 1.8 A resolution and 100 K: the role of the water structure and its contribution to binding. Protein Sci., 7, 1998
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7VVJ
| PTHrP-bound human PTH1R in complex with Gs | Descriptor: | Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, Guanine nucleotide-binding protein G(I)/G(S)/G(T) subunit beta-1, Guanine nucleotide-binding protein G(s) subunit alpha isoforms short, ... | Authors: | Kobayashi, K, Kusakizako, T, Miyauchi, H, Tomita, A, Kobayashi, K, Shihoya, W, Yamashita, K, Nishizawa, T, Kato, H.E, Nureki, O. | Deposit date: | 2021-11-06 | Release date: | 2022-08-03 | Last modified: | 2023-02-15 | Method: | ELECTRON MICROSCOPY (3.2 Å) | Cite: | Endogenous ligand recognition and structural transition of a human PTH receptor. Mol.Cell, 82, 2022
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1N64
| Crystal structure analysis of the immunodominant antigenic site on Hepatitis C virus protein bound to mAb 19D9D6 | Descriptor: | Fab 19D9D6 heavy chain, Fab 19D9D6 light chain, Genome polyprotein Capsid protein C | Authors: | Menez, R, Bossus, M, Muller, B, Sibai, G, Dalbon, P, Ducancel, F, Jolivet-Reynaud, C, Stura, E. | Deposit date: | 2002-11-08 | Release date: | 2003-02-25 | Last modified: | 2013-09-18 | Method: | X-RAY DIFFRACTION (2.34 Å) | Cite: | Crystal structure of a hydrophobic immunodominant
antigenic site on hepatitis C virus core protein
complexed to monoclonal antibody 19D9D6. J.Immunol., 170, 2003
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3K1F
| Crystal structure of RNA Polymerase II in complex with TFIIB | Descriptor: | DNA-directed RNA polymerase II subunit RPB1, DNA-directed RNA polymerase II subunit RPB11, DNA-directed RNA polymerase II subunit RPB2, ... | Authors: | Kostrewa, D, Zeller, M.E, Armache, K.-J, Seizl, M, Leike, K, Thomm, M, Cramer, P. | Deposit date: | 2009-09-27 | Release date: | 2009-11-10 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (4.3 Å) | Cite: | RNA polymerase II-TFIIB structure and mechanism of transcription initiation. Nature, 462, 2009
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1N69
| Crystal structure of human saposin B | Descriptor: | 1,2-Distearoyl-sn-glycerophosphoethanolamine, SAPOSIN B | Authors: | Ahn, V.E, Faull, K.F, Whitelegge, J.P, Fluharty, A.L, Prive, G.G. | Deposit date: | 2002-11-08 | Release date: | 2003-01-07 | Last modified: | 2021-06-30 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Crystal Structure of saposin B reveals a dimeric shell for lipid binding Proc.Natl.Acad.Sci.USA, 100, 2003
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7VVO
| PTH-bound human PTH1R in complex with Gs (class5) | Descriptor: | Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, Guanine nucleotide-binding protein G(I)/G(S)/G(T) subunit beta-1, Guanine nucleotide-binding protein G(s) subunit alpha isoforms short, ... | Authors: | Kobayashi, K, Kusakizako, T, Miyauchi, H, Tomita, A, Kobayashi, K, Shihoya, W, Yamashita, K, Nishizawa, T, Kato, H.E, Nureki, O. | Deposit date: | 2021-11-06 | Release date: | 2022-08-03 | Last modified: | 2023-02-15 | Method: | ELECTRON MICROSCOPY (4.1 Å) | Cite: | Endogenous ligand recognition and structural transition of a human PTH receptor. Mol.Cell, 82, 2022
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3K4A
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4GQL
| Crystal structure of the catalytic domain of Human MMP12 in complex with selective phosphinic inhibitor RXP470.1 | Descriptor: | CALCIUM ION, Macrophage metalloelastase, N-[(2S)-3-[(S)-(4-bromophenyl)(hydroxy)phosphoryl]-2-{[3-(3'-chlorobiphenyl-4-yl)-1,2-oxazol-5-yl]methyl}propanoyl]-L-alpha-glutamyl-L-alpha-glutamine, ... | Authors: | Stura, E.A, Vera, L, Beau, F, Devel, L, Cassar-Lajeunesse, E, Dive, V. | Deposit date: | 2012-08-23 | Release date: | 2013-02-06 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (1.15 Å) | Cite: | Molecular determinants of a selective matrix metalloprotease-12 inhibitor: insights from crystallography and thermodynamic studies. J.Med.Chem., 56, 2013
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4GR3
| Crystal structure of the catalytic domain of Human MMP12 in complex with selective phosphinic inhibitor RXP470A | Descriptor: | CALCIUM ION, Macrophage metalloelastase, N-{(2S)-3-[(S)-(4-bromophenyl)(hydroxy)phosphoryl]-2-[(3-phenyl-1,2-oxazol-5-yl)methyl]propanoyl}-L-alpha-glutamyl-L-al pha-glutamine, ... | Authors: | Stura, E.A, Vera, L, Beau, F, Devel, L, Cassar-Lajeunesse, E, Dive, V. | Deposit date: | 2012-08-24 | Release date: | 2013-02-06 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (1.494 Å) | Cite: | Molecular determinants of a selective matrix metalloprotease-12 inhibitor: insights from crystallography and thermodynamic studies. J.Med.Chem., 56, 2013
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5MOS
| Joint X-ray/neutron structure of cationic trypsin in complex with N-amidinopiperidine | Descriptor: | CALCIUM ION, Cationic trypsin, SULFATE ION, ... | Authors: | Schiebel, J, Schrader, T.E, Ostermann, A, Heine, A, Klebe, G. | Deposit date: | 2016-12-14 | Release date: | 2018-02-28 | Last modified: | 2024-05-01 | Method: | NEUTRON DIFFRACTION (0.96 Å), X-RAY DIFFRACTION | Cite: | Intriguing role of water in protein-ligand binding studied by neutron crystallography on trypsin complexes. Nat Commun, 9, 2018
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2P02
| Crystal structure of the alpha subunit of human S-adenosylmethionine synthetase 2 | Descriptor: | CHLORIDE ION, S-ADENOSYLMETHIONINE, S-adenosylmethionine synthetase isoform type-2 | Authors: | Papagrigoriou, E, Shafqat, N, Rojkova, A, Niessen, F.H, Kavanagh, K.L, von Delft, F, Gorrec, F, Ugochukwu, E, Arrowsmith, C.H, Edwards, A, Weigelt, J, Sundstrom, M, Oppermann, U, Structural Genomics Consortium (SGC) | Deposit date: | 2007-02-28 | Release date: | 2007-03-13 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (1.21 Å) | Cite: | Crystal structure of the alpha subunit of human S-adenosylmethionine synthetase 2 To be Published
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5M7L
| Blastochloris viridis photosynthetic reaction center synchrotron structure | Descriptor: | (2E,6E,10E,14E,18E,22E,26E)-3,7,11,15,19,23,27,31-OCTAMETHYLDOTRIACONTA-2,6,10,14,18,22,26,30-OCTAENYL TRIHYDROGEN DIPHOSPHATE, 15-cis-1,2-dihydroneurosporene, BACTERIOCHLOROPHYLL A, ... | Authors: | Sharma, A.S, Johansson, L, Dunevall, E, Wahlgren, W.Y, Neutze, R, Katona, G. | Deposit date: | 2016-10-28 | Release date: | 2017-02-08 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (3.6 Å) | Cite: | Asymmetry in serial femtosecond crystallography data. Acta Crystallogr A Found Adv, 73, 2017
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6CGY
| Structure of the Quorum Quenching lactonase from Alicyclobacillus acidoterrestris bound to a phosphate anion | Descriptor: | 1,2-ETHANEDIOL, Beta-lactamase, COBALT (II) ION, ... | Authors: | Bergonzi, C, Schwab, M, Naik, T, Daude, D, Chabriere, E, Elias, M. | Deposit date: | 2018-02-21 | Release date: | 2018-08-15 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (1.65 Å) | Cite: | Structural and Biochemical Characterization of AaL, a Quorum Quenching Lactonase with Unusual Kinetic Properties. Sci Rep, 8, 2018
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5FON
| Crystal structure of the Cryptosporidium muris cytosolic leucyl-tRNA synthetase editing domain (apo structure) | Descriptor: | LEUCYL-TRNA SYNTHETASE | Authors: | Palencia, A, Liu, R.J, Lukarska, M, Gut, J, Bougdour, A, Touquet, B, Wang, E.D, Alley, M.R.K, Rosenthal, P.J, Hakimi, M.A, Cusack, S. | Deposit date: | 2015-11-24 | Release date: | 2016-08-03 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | Cryptosporidium and Toxoplasma Parasites are Inhibited by a Benzoxaborole Targeting Leucyl-tRNA Synthetase. Antimicrob.Agents Chemother., 60, 2016
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1T7F
| Crystal structure of the androgen receptor ligand binding domain in complex with a LxxLL motif | Descriptor: | 5-ALPHA-DIHYDROTESTOSTERONE, Androgen receptor, LxxLL motif peptide | Authors: | Hur, E, Pfaff, S.J, Payne, E.S, Gron, H, Buehrer, B.M, Fletterick, R.J. | Deposit date: | 2004-05-10 | Release date: | 2004-08-31 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Recognition and accommodation at the androgen receptor coactivator binding interface. Plos Biol., 2, 2004
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