4LWT
 
 | | The 1.6A Crystal Structure of Humanized Xenopus MDM2 with RO5027344 | | Descriptor: | (3S)-3-[(3R)-1-acetylpiperidin-3-yl]-6-chloro-3-(3-chlorobenzyl)-1,3-dihydro-2H-indol-2-one, E3 ubiquitin-protein ligase Mdm2, SULFATE ION | | Authors: | Graves, B.J, Lukacs, C, Kammlott, U. | | Deposit date: | 2013-07-28 | | Release date: | 2014-07-16 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | Discovery of potent and selective spiroindolinone MDM2 inhibitor, RO8994, for cancer therapy.
Bioorg.Med.Chem., 22, 2014
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4LWU
 | | The 1.14A Crystal Structure of Humanized Xenopus MDM2 with RO5499252 | | Descriptor: | (2'S,3R,4'S,5'R)-N-(4-carbamoylphenyl)-6-chloro-4'-(3-chloro-2-fluorophenyl)-2'-(2,2-dimethylpropyl)-2-oxo-1,2-dihydrospiro[indole-3,3'-pyrrolidine]-5'-carboxamide, E3 ubiquitin-protein ligase Mdm2, SULFATE ION | | Authors: | Graves, B.J, Lukacs, C, Janson, C.A. | | Deposit date: | 2013-07-28 | | Release date: | 2014-07-16 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (1.14 Å) | | Cite: | Discovery of potent and selective spiroindolinone MDM2 inhibitor, RO8994, for cancer therapy.
Bioorg.Med.Chem., 22, 2014
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3I72
 | | Structural characterization for the nucleotide binding ability of subunit A with SO4 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: | 2009-07-07 | | Release date: | 2010-01-12 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (2.47 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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6ISO
 | | Human SIRT3 Recognizing H3K4cr | | Descriptor: | (2E)-BUT-2-ENAL, ARG-THR-LYS-GLN-THR-ALA-ARG, GLYCEROL, ... | | Authors: | Wang, Y, Hao, Q. | | Deposit date: | 2018-11-17 | | Release date: | 2019-01-23 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (2.95 Å) | | Cite: | Identification of 'erasers' for lysine crotonylated histone marks using a chemical proteomics approach.
Elife, 3, 2014
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7VXX
 | | Zika virus NS2B/NS3 protease bZipro(C143S) in complex with 4-amino benzamidine | | Descriptor: | P-AMINO BENZAMIDINE, Serine protease NS3, Serine protease subunit NS2B | | Authors: | Xiong, Y.C, Cheng, F, Zhang, J.Y, Su, H.X, Hu, H.C, Zou, Y, Li, M.J, Xu, Y.C. | | Deposit date: | 2021-11-13 | | Release date: | 2022-09-14 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Structure-based design of a novel inhibitor of the ZIKA virus NS2B/NS3 protease.
Bioorg.Chem., 128, 2022
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7VXY
 | | Zika virus NS2B/NS3 protease bZipro(C143S) in complex with D-RKOR | | Descriptor: | Peptide inhibitor, Serine protease NS3, Serine protease subunit NS2B | | Authors: | Xiong, Y.C, Cheng, F, Zhang, J.Y, Su, H.X, Hu, H.C, Zou, Y, Li, M.J, Xu, Y.C. | | Deposit date: | 2021-11-13 | | Release date: | 2022-09-14 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (1.901 Å) | | Cite: | Structure-based design of a novel inhibitor of the ZIKA virus NS2B/NS3 protease.
Bioorg.Chem., 128, 2022
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3IDP
 | | B-Raf V600E kinase domain in complex with an aminoisoquinoline inhibitor | | Descriptor: | B-Raf proto-oncogene serine/threonine-protein kinase, N~1~-(4-chlorophenyl)-6-methyl-N~5~-[3-(7H-purin-6-yl)pyridin-2-yl]isoquinoline-1,5-diamine | | Authors: | Whittington, D.A, Epstein, L.F. | | Deposit date: | 2009-07-21 | | Release date: | 2009-10-06 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (2.7 Å) | | Cite: | Selective inhibitors of the mutant B-raf pathway: discovery of a potent and orally bioavailable aminoisoquinoline.
J.Med.Chem., 52, 2009
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2JB5
 | | Fab fragment in complex with small molecule hapten, crystal form-1 | | Descriptor: | 2-{(1E,3Z,5E,7E)-7-[3,3-DIMETHYL-5-SULFO-1-(2-SULFOETHYL)-1,3-DIHYDRO-2H-INDOL-2-YLIDENE]-4-METHYLHEPTA-1,3,5-TRIEN-1-YL}-3,3-DIMETHYL-5-SULFO-1-(2-SULFOETHYL)-3H-INDOLIUM, FAB FRAGMENT MOR03268 HEAVY CHAIN, FAB FRAGMENT MOR03268 LIGHT CHAIN | | Authors: | Hillig, R.C, Baesler, S, Malawski, G, Badock, V, Bahr, I, Schirner, M, Licha, K. | | Deposit date: | 2006-12-03 | | Release date: | 2008-01-08 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (2.8 Å) | | Cite: | Fab Mor03268 Triggers Absorption Shift of a Diagnostic Dye Via Packaging in a Solvent-Shielded Fab Dimer Interface
J.Mol.Biol., 377, 2008
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2JB6
 | | Fab fragment in complex with small molecule hapten, crystal form-2 | | Descriptor: | 2-{(1E,3Z,5E,7E)-7-[3,3-DIMETHYL-5-SULFO-1-(2-SULFOETHYL)-1,3-DIHYDRO-2H-INDOL-2-YLIDENE]-4-METHYLHEPTA-1,3,5-TRIEN-1-YL}-3,3-DIMETHYL-5-SULFO-1-(2-SULFOETHYL)-3H-INDOLIUM, FAB FRAGMENT MOR03268 HEAVY CHAIN, FAB FRAGMENT MOR03268 LIGHT CHAIN | | Authors: | Hillig, R.C, Baesler, S, Malawski, G, Badock, V, Bahr, I, Schirner, M, Licha, K. | | Deposit date: | 2006-12-03 | | Release date: | 2008-01-08 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (2.85 Å) | | Cite: | Fab Mor03268 Triggers Absorption Shift of a Diagnostic Dye Via Packaging in a Solvent-Shielded Fab Dimer Interface
J.Mol.Biol., 377, 2008
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4L2Z
 | | Crystal structure of S-Adenosylmethionine synthetase from Sulfolobus solfataricus complexed with SAE and PPi | | Descriptor: | DIPHOSPHATE, MAGNESIUM ION, PHOSPHATE ION, ... | | Authors: | Wang, F, Hurley, K.A, Helmich, K.E, Singh, S, Bingman, C.A, Thorson, J.S, Phillips Jr, G.N, Enzyme Discovery for Natural Product Biosynthesis (NatPro) | | Deposit date: | 2013-06-05 | | Release date: | 2013-06-19 | | Last modified: | 2023-12-06 | | Method: | X-RAY DIFFRACTION (2.494 Å) | | Cite: | Understanding molecular recognition of promiscuity of thermophilic methionine adenosyltransferase sMAT from Sulfolobus solfataricus.
Febs J., 281, 2014
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5O9A
 | | Crystal structure of the GluA2 ligand-binding domain (S1S2J-L504Y-N775S) in complex with glutamate and BPAM121 at 1.78 A resolution | | Descriptor: | 1,2-ETHANEDIOL, 7-chloro-4-(2-fluoroethyl)-2,3-dihydro-1,2,4-benzothiadiazine 1,1-dioxide, CHLORIDE ION, ... | | Authors: | Laulumaa, S, Rovinskaja, K, Frydenvang, K.A, Kastrup, J.S. | | Deposit date: | 2017-06-16 | | Release date: | 2018-01-03 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (1.78 Å) | | Cite: | 7-Phenoxy-Substituted 3,4-Dihydro-2H-1,2,4-benzothiadiazine 1,1-Dioxides as Positive Allosteric Modulators of alpha-Amino-3-hydroxy-5-methyl-4-isoxazolepropionic Acid (AMPA) Receptors with Nanomolar Potency.
J. Med. Chem., 61, 2018
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5OEW
 | | Crystal structure of the GluA2 ligand-binding domain (S1S2J) in complex with glutamate and positive allosteric modulator BPAM538 | | Descriptor: | 4-cyclopropyl-7-(3-methoxyphenoxy)-2,3-dihydro-1$l^{6},2,4-benzothiadiazine 1,1-dioxide, ACETATE ION, GLUTAMIC ACID, ... | | Authors: | Larsen, A.P, Frydenvang, K.A, Kastrup, J.S. | | Deposit date: | 2017-07-10 | | Release date: | 2018-01-03 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | 7-Phenoxy-Substituted 3,4-Dihydro-2H-1,2,4-benzothiadiazine 1,1-Dioxides as Positive Allosteric Modulators of alpha-Amino-3-hydroxy-5-methyl-4-isoxazolepropionic Acid (AMPA) Receptors with Nanomolar Potency.
J. Med. Chem., 61, 2018
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3K7N
 | | Structures of two elapid snake venom metalloproteases with distinct activities highlight the disulfide patterns in the D domain of ADAMalysin family proteins | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[beta-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, ... | | Authors: | Guan, H.H, Huang, Y.W, Wu, W.G, Chen, C.J. | | Deposit date: | 2009-10-13 | | Release date: | 2010-03-02 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Structures of two elapid snake venom metalloproteases with distinct activities highlight the disulfide patterns in the D domain of ADAMalysin family proteins
J.Struct.Biol., 169, 2010
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3K7L
 | | Structures of two elapid snake venom metalloproteases with distinct activities highlight the disulfide patterns in the D domain of ADAMalysin family proteins | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Atragin, CALCIUM ION, ... | | Authors: | Guan, H.H, Wu, W.G, Chen, C.J. | | Deposit date: | 2009-10-13 | | Release date: | 2010-03-02 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Structures of two elapid snake venom metalloproteases with distinct activities highlight the disulfide patterns in the D domain of ADAMalysin family proteins
J.Struct.Biol., 169, 2010
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4MXM
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4O1V
 | | SPOP Promotes Tumorigenesis by Acting as a Key Regulatory Hub in Kidney Cancer | | Descriptor: | Phosphatidylinositol 3,4,5-trisphosphate 3-phosphatase and dual-specificity protein phosphatase PTEN, Speckle-type POZ protein | | Authors: | Calabrese, M.F, Watson, E.R, Schulman, B.A. | | Deposit date: | 2013-12-16 | | Release date: | 2014-04-30 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | SPOP Promotes Tumorigenesis by Acting as a Key Regulatory Hub in Kidney Cancer.
Cancer Cell, 25, 2014
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7XY7
 | | Adenosine receptor bound to a non-selective agonist in complex with a G protein obtained by cryo-EM | | 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: | Zhang, J.Y, Chen, Y, Hua, T, Song, G.J. | | Deposit date: | 2022-05-31 | | Release date: | 2023-05-03 | | Method: | ELECTRON MICROSCOPY (3.26 Å) | | Cite: | Cryo-EM structure of the human adenosine A 2B receptor-G s signaling complex.
Sci Adv, 8, 2022
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7XY6
 | | Adenosine receptor bound to an agonist in complex with G protein obtained by cryo-EM | | Descriptor: | 2-[6-azanyl-3,5-dicyano-4-[4-(cyclopropylmethoxy)phenyl]pyridin-2-yl]sulfanylethanamide, 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, ... | | Authors: | Zhang, J.Y, Chen, Y, Hua, T, Song, G.J. | | Deposit date: | 2022-05-31 | | Release date: | 2023-05-03 | | Last modified: | 2023-05-31 | | Method: | ELECTRON MICROSCOPY (2.99 Å) | | Cite: | Cryo-EM structure of the human adenosine A 2B receptor-G s signaling complex.
Sci Adv, 8, 2022
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4LWV
 | | The 2.3A Crystal Structure of Humanized Xenopus MDM2 with RO5545353 | | Descriptor: | (2S,3R,4R,5R)-N-(4-carbamoyl-2-methoxyphenyl)-2'-chloro-4-(3-chloro-2-fluorophenyl)-2-(2,2-dimethylpropyl)-5'-oxo-4',5'-dihydrospiro[pyrrolidine-3,6'-thieno[3,2-b]pyrrole]-5-carboxamide, E3 ubiquitin-protein ligase Mdm2, SULFATE ION | | Authors: | Graves, B.J, Lukacs, C, Janson, C.A. | | Deposit date: | 2013-07-28 | | Release date: | 2014-07-02 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (2.32 Å) | | Cite: | Discovery of Potent and Orally Active p53-MDM2 Inhibitors RO5353 and RO2468 for Potential Clinical Development.
ACS MED.CHEM.LETT., 5, 2014
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4OV6
 | | Crystal structure of PCSK9(53-451) with Adnectin | | Descriptor: | 1,2-ETHANEDIOL, Adnectin, Proprotein convertase subtilisin/kexin type 9, ... | | Authors: | Khan, J.A. | | Deposit date: | 2014-02-20 | | Release date: | 2014-07-02 | | Last modified: | 2017-11-22 | | Method: | X-RAY DIFFRACTION (2.69 Å) | | Cite: | Pharmacologic Profile of the Adnectin BMS-962476, a Small Protein Biologic Alternative to PCSK9 Antibodies for Low-Density Lipoprotein Lowering.
J.Pharmacol.Exp.Ther., 350, 2014
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1K8A
 | | Co-crystal structure of Carbomycin A bound to the 50S ribosomal subunit of Haloarcula marismortui | | Descriptor: | 23S RRNA, 5S RRNA, CADMIUM ION, ... | | Authors: | Hansen, J.L, Ippolito, J.A, Ban, N, Nissen, P, Moore, P.B, Steitz, T. | | Deposit date: | 2001-10-23 | | Release date: | 2002-07-19 | | Last modified: | 2023-08-16 | | Method: | X-RAY DIFFRACTION (3 Å) | | Cite: | The structures of four macrolide antibiotics bound to the large ribosomal subunit.
Mol.Cell, 10, 2002
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4MO7
 | | Crystal structure of superantigen PfiT | | Descriptor: | BETA-MERCAPTOETHANOL, MAGNESIUM ION, Transcriptional regulator I2 | | Authors: | Liu, L.H, Chen, H, Li, H.M. | | Deposit date: | 2013-09-11 | | Release date: | 2014-02-05 | | Method: | X-RAY DIFFRACTION (1.701 Å) | | Cite: | Pfit is a structurally novel Crohn's disease-associated superantigen.
Plos Pathog., 9, 2013
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2L00
 | | Solution structure of the non-covalent complex of the ZNF216 A20 domain with ubiquitin | | Descriptor: | Ubiquitin, ZINC ION, Zfand5 protein (Zinc finger protein 216 (Predicted), ... | | Authors: | Garner, T.P, Long, J.E, Searle, M.S, Layfield, R. | | Deposit date: | 2010-06-29 | | Release date: | 2011-07-20 | | Last modified: | 2024-05-01 | | Method: | SOLUTION NMR | | Cite: | Co-localisation of ubiquitin receptors ZNF216 and p62 in a ubiquitin-mediated ternary complex
To be Published
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2K2S
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4NIE
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