8ILV
 
 | | Cryo-EM structure of PI3Kalpha in complex with compound 18 | | Descriptor: | N-[(2R)-1-(ethylamino)-1-oxidanylidene-3-[3-(2-quinoxalin-6-ylethynyl)phenyl]propan-2-yl]-2,3-dimethyl-quinoxaline-6-carboxamide, Phosphatidylinositol 3-kinase regulatory subunit alpha, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform | | Authors: | Zhou, Q, Liu, X, Neri, D, Li, W, Favalli, N, Bassi, G, Yang, S, Yang, D, Vogt, P.K, Wang, M.-W. | | Deposit date: | 2023-03-04 | | Release date: | 2023-09-06 | | Method: | ELECTRON MICROSCOPY (3.19 Å) | | Cite: | Structural insights into the interaction of three Y-shaped ligands with PI3K alpha.
Proc.Natl.Acad.Sci.USA, 120, 2023
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3MDZ
 | | Crystal Structure of Human Carbonic Anhydrase VII [isoform 1], CA7 | | Descriptor: | 6-ethoxy-1,3-benzothiazole-2-sulfonamide, Carbonic anhydrase 7, GLYCEROL, ... | | Authors: | Ugochukwu, E, Shafqat, N, Pilka, E, Chaikuad, A, Krojer, T, Muniz, J, Kim, J, Bray, J, Bountra, C, Arrowsmith, C.H, Weigelt, J, Edwards, A, von Delft, F, Carpenter, E.P, Yue, W.W, Oppermann, U, Structural Genomics Consortium (SGC) | | Deposit date: | 2010-03-31 | | Release date: | 2010-06-23 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (2.32 Å) | | Cite: | Crystal Structure of Human Carbonic Anhydrase VII [isoform 1], CA7
to be published
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5A14
 | | Human CDK2 with type II inhibitor | | Descriptor: | 1-[4-(2-azanylpyrimidin-4-yl)oxyphenyl]-3-[4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]urea, CYCLIN-DEPENDENT KINASE 2 | | Authors: | Alexander, L.T, Elkins, J.M, Kopec, J, Fedorov, O, Savitsky, P.A, Moebitz, H, Cowan-Jacob, S.W, Szklarz, M, Pike, A.C.W, Carpenter, E.P, Krojer, T, Bountra, C, Edwards, A.M, Knapp, S. | | Deposit date: | 2015-04-27 | | Release date: | 2015-07-22 | | Last modified: | 2019-10-23 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Type II Inhibitors Targeting Cdk2.
Acs Chem.Biol., 10, 2015
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1EN2
 | | UDA TETRASACCHARIDE COMPLEX. CRYSTAL STRUCTURE OF URTICA DIOICA AGGLUTININ, A SUPERANTIGEN PRESENTED BY MHC MOLECULES OF CLASS I AND CLASS II | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, AGGLUTININ ISOLECTIN I/AGGLUTININ ISOLECTIN V/ AGGLUTININ ISOLECTIN VI | | Authors: | Saul, F.A, Rovira, P, Boulot, G, Van Damme, E.J.M, Peumans, W.J, Truffa-Bachi, P, Bentley, G.A. | | Deposit date: | 2000-03-20 | | Release date: | 2000-06-21 | | Last modified: | 2023-08-09 | | Method: | X-RAY DIFFRACTION (1.4 Å) | | Cite: | Crystal structure of Urtica dioica agglutinin, a superantigen presented by MHC molecules of class I and class II.
Structure Fold.Des., 8, 2000
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5A1V
 | | The structure of the COPI coat linkage I | | Descriptor: | ADP-RIBOSYLATION FACTOR 1, COATOMER SUBUNIT ALPHA, COATOMER SUBUNIT BETA, ... | | Authors: | Dodonova, S.O, Diestelkoetter-Bachert, P, von Appen, A, Hagen, W.J.H, Beck, R, Beck, M, Wieland, F, Briggs, J.A.G. | | Deposit date: | 2015-05-06 | | Release date: | 2015-07-08 | | Last modified: | 2024-05-08 | | Method: | ELECTRON MICROSCOPY (21 Å) | | Cite: | Vesicular Transport. A Structure of the Copi Coat and the Role of Coat Proteins in Membrane Vesicle Assembly.
Science, 349, 2015
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8IOD
 | | Cryo-EM structure of the PG-901-bound human melanocortin receptor 5 (MC5R)-Gs complex | | Descriptor: | CALCIUM ION, 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,HiBiT, ... | | Authors: | Feng, W.B, Zhou, Q.T, Chen, X.Y, Dai, A.T, Cai, X.Q, Liu, X, Zhao, F.H, Chen, Y, Ye, C.Y, Xu, Y.N, Cong, Z.T, Li, H, Lin, S, Yang, D.H, Wang, M.W. | | Deposit date: | 2023-03-10 | | Release date: | 2023-09-20 | | Last modified: | 2023-11-15 | | Method: | ELECTRON MICROSCOPY (2.59 Å) | | Cite: | Structural insights into ligand recognition and subtype selectivity of the human melanocortin-3 and melanocortin-5 receptors.
Cell Discov, 9, 2023
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8INR
 | | Cryo-EM structure of the alpha-MSH-bound human melanocortin receptor 5 (MC5R)-Gs complex | | Descriptor: | CALCIUM ION, 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,HiBiT, ... | | Authors: | Feng, W.B, Zhou, Q.T, Chen, X.Y, Dai, A.T, Cai, X.Q, Liu, X, Zhao, F.H, Chen, Y, Ye, C.Y, Xu, Y.N, Cong, Z.T, Li, H, Lin, S, Yang, D.H, Wang, M.W. | | Deposit date: | 2023-03-10 | | Release date: | 2023-09-20 | | Method: | ELECTRON MICROSCOPY (2.73 Å) | | Cite: | Structural insights into ligand recognition and subtype selectivity of the human melanocortin-3 and melanocortin-5 receptors.
Cell Discov, 9, 2023
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1EK2
 | | CRYSTAL STRUCTURE OF MURINE SOLUBLE EPOXIDE HYDROLASE COMPLEXED WITH CDU INHIBITOR | | Descriptor: | EPOXIDE HYDROLASE, N-CYCLOHEXYL-N'-DECYLUREA | | Authors: | Argiriadi, M.A, Morisseau, C, Goodrow, M.H, Dowdy, D.L, Hammock, B.D, Christianson, D.W. | | Deposit date: | 2000-03-06 | | Release date: | 2000-05-31 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (3 Å) | | Cite: | Binding of alkylurea inhibitors to epoxide hydrolase implicates active site tyrosines in substrate activation.
J.Biol.Chem., 275, 2000
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6RNT
 | | CRYSTAL STRUCTURE OF RIBONUCLEASE T1 COMPLEXED WITH ADENOSINE 2'-MONOPHOSPHATE AT 1.8-ANGSTROMS RESOLUTION | | Descriptor: | ADENOSINE-2'-MONOPHOSPHATE, CALCIUM ION, RIBONUCLEASE T1 | | Authors: | Ding, J, Koellner, G, Grunert, H.-P, Saenger, W. | | Deposit date: | 1991-08-20 | | Release date: | 1993-01-15 | | Last modified: | 2017-11-29 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Crystal structure of ribonuclease T1 complexed with adenosine 2'-monophosphate at 1.8-A resolution.
J.Biol.Chem., 266, 1991
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8ILS
 | | Cryo-EM structure of PI3Kalpha in complex with compound 17 | | Descriptor: | N-[(2R)-1-(ethylamino)-1-oxidanylidene-3-[4-(2-quinoxalin-6-ylethynyl)phenyl]propan-2-yl]-2,3-dimethyl-quinoxaline-6-carboxamide, Phosphatidylinositol 3-kinase regulatory subunit alpha, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform | | Authors: | Zhou, Q, Liu, X, Neri, D, Li, W, Favalli, N, Bassi, G, Yang, S, Yang, D, Vogt, P.K, Wang, M.-W. | | Deposit date: | 2023-03-04 | | Release date: | 2023-09-13 | | Method: | ELECTRON MICROSCOPY (3.1 Å) | | Cite: | Structural insights into the interaction of three Y-shaped ligands with PI3K alpha.
Proc.Natl.Acad.Sci.USA, 120, 2023
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1ES6
 | | CRYSTAL STRUCTURE OF THE MATRIX PROTEIN OF EBOLA VIRUS | | Descriptor: | MATRIX PROTEIN VP40 | | Authors: | Dessen, A, Volchkov, V, Dolnik, O, Klenk, H.-D, Weissenhorn, W. | | Deposit date: | 2000-04-07 | | Release date: | 2000-08-30 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Crystal structure of the matrix protein VP40 from Ebola virus.
EMBO J., 19, 2000
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1EFY
 | | CRYSTAL STRUCTURE OF THE CATALYTIC FRAGMENT OF POLY (ADP-RIBOSE) POLYMERASE COMPLEXED WITH A BENZIMIDAZOLE INHIBITOR | | Descriptor: | 2-(3'-METHOXYPHENYL) BENZIMIDAZOLE-4-CARBOXAMIDE, POLY (ADP-RIBOSE) POLYMERASE | | Authors: | White, A.W, Almassy, R, Calvert, A.H, Curtin, N.J, Griffin, R.J, Hostomsky, Z, Maegley, K, Newell, D.R, Srinivasan, S, Golding, B.T. | | Deposit date: | 2000-02-10 | | Release date: | 2001-01-17 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Resistance-modifying agents. 9. Synthesis and biological properties of benzimidazole inhibitors of the DNA repair enzyme poly(ADP-ribose) polymerase.
J.Med.Chem., 43, 2000
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2G2D
 | | Crystal structure of a putative pduO-type ATP:cobalamin adenosyltransferase from Mycobacterium tuberculosis | | Descriptor: | ATP:cobalamin adenosyltransferase | | Authors: | Moon, J.H, Kaviratne, A, Yu, M, Bursey, E.H, Hung, L.-W, Lekin, T.P, Segelke, B.W, Terwilliger, T.C, Kim, C.-Y, TB Structural Genomics Consortium (TBSGC) | | Deposit date: | 2006-02-15 | | Release date: | 2006-03-28 | | Last modified: | 2024-02-14 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Crystal structure of a putative pduO-type ATP:cobalamin adenosyltransferase from Mycobacterium tuberculosis.
To be Published
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1EJA
 | | STRUCTURE OF PORCINE TRYPSIN COMPLEXED WITH BDELLASTASIN, AN ANTISTASIN-TYPE INHIBITOR | | Descriptor: | BDELLASTASIN, SODIUM ION, TRYPSIN | | Authors: | Rester, U, Moser, M, Huber, R, Bode, W. | | Deposit date: | 2000-03-02 | | Release date: | 2001-03-02 | | Last modified: | 2017-10-04 | | Method: | X-RAY DIFFRACTION (2.7 Å) | | Cite: | L-Isoaspartate 115 of porcine beta-trypsin promotes crystallization of its complex with bdellastasin.
Acta Crystallogr.,Sect.D, 56, 2000
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1ESV
 | | COMPLEX BETWEEN LATRUNCULIN A:RABBIT MUSCLE ALPHA ACTIN:HUMAN GELSOLIN DOMAIN 1 | | Descriptor: | ADENOSINE-5'-TRIPHOSPHATE, ALPHA ACTIN, CALCIUM ION, ... | | Authors: | Morton, W.M, Ayscough, K.A, McLaughlin, P.J. | | Deposit date: | 2000-04-11 | | Release date: | 2000-07-19 | | Last modified: | 2021-11-03 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Latrunculin alters the actin-monomer subunit interface to prevent polymerization.
Nat.Cell Biol., 2, 2000
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2GHW
 | | Crystal structure of SARS spike protein receptor binding domain in complex with a neutralizing antibody, 80R | | Descriptor: | CHLORIDE ION, Spike glycoprotein, anti-sars scFv antibody, ... | | Authors: | Hwang, W.C, Lin, Y, Santelli, E, Sui, J, Jaroszewski, L, Stec, B, Farzan, M, Marasco, W.A, Liddington, R.C. | | Deposit date: | 2006-03-27 | | Release date: | 2006-09-19 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Structural basis of neutralization by a human anti-severe acute respiratory syndrome spike protein antibody, 80R.
J.Biol.Chem., 281, 2006
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5AA9
 | | Structure of L1198F Mutant Human Anaplastic Lymphoma Kinase in Complex with PF-06463922 ((10R)-7-amino-12-fluoro-2,10,16-trimethyl- 15-oxo-10,15,16,17-tetrahydro-2H-8,4-(metheno)pyrazolo(4,3-h)(2,5,11) benzoxadiazacyclotetradecine-3-carbonitrile). | | Descriptor: | (10R)-7-amino-12-fluoro-2,10,16-trimethyl-15-oxo-10,15,16,17-tetrahydro-2H-8,4-(metheno)pyrazolo[4,3-h][2,5,11]benzoxadiazacyclotetradecine-3-carbonitrile, ALK TYROSINE KINASE RECEPTOR | | Authors: | McTigue, M, Deng, Y.-L, Liu, W, Brooun, A, Stewart, A. | | Deposit date: | 2015-07-23 | | Release date: | 2016-06-08 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (1.93 Å) | | Cite: | Resensitization to Crizotinib by the Lorlatinib Alk Resistance Mutation L1198F.
N.Engl.J.Med., 374, 2016
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5AAB
 | | Structure of C1156Y,L1198F Mutant Human Anaplastic Lymphoma Kinase in Complex with Crizotinib | | Descriptor: | 3-[(1R)-1-(2,6-dichloro-3-fluorophenyl)ethoxy]-5-(1-piperidin-4-yl-1H-pyrazol-4-yl)pyridin-2-amine, ALK TYROSINE KINASE RECEPTOR | | Authors: | McTigue, M, Deng, Y, Liu, W, Brooun, A, Stewart, A. | | Deposit date: | 2015-07-23 | | Release date: | 2016-06-08 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Resensitization to Crizotinib by the Lorlatinib Alk Resistance Mutation L1198F.
N.Engl.J.Med., 374, 2016
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6M31
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2GHV
 | | Crystal structure of SARS spike protein receptor binding domain | | Descriptor: | Spike glycoprotein | | Authors: | Hwang, W.C, Lin, Y, Santelli, E, Sui, J, Jaroszewski, L, Stec, B, Farzan, M, Marasco, W.A, Liddington, R.C. | | Deposit date: | 2006-03-27 | | Release date: | 2006-09-19 | | Last modified: | 2011-07-13 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Structural basis of neutralization by a human anti-severe acute respiratory syndrome spike protein antibody, 80R.
J.Biol.Chem., 281, 2006
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4PQG
 | | Crystal structure of the pneumococcal O-GlcNAc transferase GtfA in complex with UDP and GlcNAc | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Glycosyltransferase Gtf1, URIDINE-5'-DIPHOSPHATE | | Authors: | Shi, W.W, Jiang, Y.L, Zhu, F, Yang, Y.H, Wu, H, Ren, Y.M, Chen, Y, Zhou, C.Z. | | Deposit date: | 2014-03-03 | | Release date: | 2014-06-18 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Structure of a Novel O-Linked N-Acetyl-d-glucosamine (O-GlcNAc) Transferase, GtfA, Reveals Insights into the Glycosylation of Pneumococcal Serine-rich Repeat Adhesins.
J.Biol.Chem., 289, 2014
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4PTI
 | | THE GEOMETRY OF THE REACTIVE SITE AND OF THE PEPTIDE GROUPS IN TRYPSIN, TRYPSINOGEN AND ITS COMPLEXES WITH INHIBITORS | | Descriptor: | TRYPSIN INHIBITOR | | Authors: | Huber, R, Kukla, D, Ruehlmann, A, Epp, O, Formanek, H, Deisenhofer, J, Steigemann, W. | | Deposit date: | 1982-09-27 | | Release date: | 1983-01-18 | | Last modified: | 2024-06-05 | | Method: | X-RAY DIFFRACTION (1.5 Å) | | Cite: | The Geometry of the Reactive Site and of the Peptide Groups in Trypsin, Trypsinogen and its Complexes with Inhibitors
Acta Crystallogr.,Sect.B, 39, 1983
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4PY0
 | | Crystal structure of P2Y12 receptor in complex with 2MeSATP | | Descriptor: | (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, 2-(methylsulfanyl)adenosine 5'-(tetrahydrogen triphosphate), P2Y purinoceptor 12, ... | | Authors: | Zhang, J, Zhang, K, Gao, Z.G, Paoletta, S, Zhang, D, Han, G.W, Li, T, Ma, L, Zhang, W, Muller, C.E, Yang, H, Jiang, H, Cherezov, V, Katritch, V, Jacobson, K.A, Stevens, R.C, Wu, B, Zhao, Q, GPCR Network (GPCR) | | Deposit date: | 2014-03-25 | | Release date: | 2014-04-30 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (3.1 Å) | | Cite: | Agonist-bound structure of the human P2Y12 receptor
Nature, 509, 2014
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2H3L
 | | Crystal Structure of ERBIN PDZ | | Descriptor: | LAP2 protein | | Authors: | Appleton, B.A, Zhang, Y, Wu, P, Yin, J.P, Hunziker, W, Skelton, N.J, Sidhu, S.S, Wiesmann, C. | | Deposit date: | 2006-05-22 | | Release date: | 2006-06-13 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (1 Å) | | Cite: | Comparative structural analysis of the Erbin PDZ domain and the first PDZ domain of ZO-1. Insights into determinants of PDZ domain specificity.
J.Biol.Chem., 281, 2006
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2GTL
 | | Lumbricus Erythrocruorin at 3.5A resolution | | Descriptor: | CALCIUM ION, CARBON MONOXIDE, Extracellular globin 2, ... | | Authors: | Royer Jr, W.E, Sharma, H, Strand, K, Knapp, J.E, Bhyravbhatla, B. | | Deposit date: | 2006-04-28 | | Release date: | 2006-07-18 | | Last modified: | 2011-07-13 | | Method: | X-RAY DIFFRACTION (3.5 Å) | | Cite: | Lumbricus erythrocruorin at 3.5 a resolution: architecture of a megadalton respiratory complex.
Structure, 14, 2006
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