7S79
 
 | | STRUCTURE OF HLA-B*07:02 IN COMPLEX WITH SYNTHETIC PHOSPHONO-MLL PEPTIDE ANALOG | | Descriptor: | Beta-2-microglobulin, GLYCEROL, HLA class I histocompatibility antigen, ... | | Authors: | Patskovska, L, Patskovsky, Y, Nyovanie, S, Natarajan, A, Joshi, B, Morin, B, Brittsan, C, Huber, O, Gordon, S, Michelet, X, Schmitzberger, F, Stein, R, Findeis, M, Hurwitz, A, Van Dijk, M, Buell, J, Underwood, D, Krogsgaard, M. | | Deposit date: | 2021-09-15 | | Release date: | 2022-11-02 | | Last modified: | 2024-11-06 | | Method: | X-RAY DIFFRACTION (1.53 Å) | | Cite: | Molecular mechanism of phosphopeptide neoantigen immunogenicity.
Nat Commun, 14, 2023
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5AP3
 | | Naturally Occurring Mutations in the MPS1 Gene Predispose Cells to Kinase Inhibitor Drug Resistance. | | Descriptor: | 1,2-ETHANEDIOL, 2-(2-(2-(2-(2-(2-ETHOXYETHOXY)ETHOXY)ETHOXY)ETHOXY)ETHOXY)ETHANOL, 9-CYCLOPENTYL-2-[[2-METHOXY-4-[(1-METHYLPIPERIDIN-4-YL)OXY]-PHENYL]AMINO]-7-METHYL-7,9-DIHYDRO-8H-PURIN-8-ONE, ... | | Authors: | Gurden, M.D, Westwood, I.M, Faisal, A, Naud, S, Cheung, K.J, McAndrew, C, Wood, A, Schmitt, J, Boxall, K, Mak, G, Workman, P, Burke, R, Hoelder, S, Blagg, J, van Montfort, R.L.M, Linardopoulos, S. | | Deposit date: | 2015-09-14 | | Release date: | 2015-09-23 | | Last modified: | 2024-10-16 | | Method: | X-RAY DIFFRACTION (2.7 Å) | | Cite: | Naturally Occurring Mutations in the Mps1 Gene Predispose Cells to Kinase Inhibitor Drug Resistance.
Cancer Res., 75, 2015
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7S8I
 | | PHOSPHOPEPTIDE-SPECIFIC LC13 TCR, MONOCLINIC CRYSTAL FORM | | Descriptor: | CHLORIDE ION, TRAV27_LC13 TCR ALPHA CHAIN, TRBV27_LC13 TCR BETA CHAIN | | Authors: | Patskovsky, Y, Nyovanie, S, Patskovska, L, Natarajan, A, Joshi, B, Morin, B, Brittsan, C, Huber, O, Gordon, S, Michelet, X, Schmitzberger, F, Stein, R, Findeis, M, Hurwitz, A, Van Dijk, M, Buell, J, Underwood, D, Krogsgaard, M. | | Deposit date: | 2021-09-17 | | Release date: | 2022-11-02 | | Last modified: | 2024-11-06 | | Method: | X-RAY DIFFRACTION (1.66 Å) | | Cite: | Molecular mechanism of phosphopeptide neoantigen immunogenicity.
Nat Commun, 14, 2023
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7S8J
 | | PHOSPHOPEPTIDE-SPECIFIC LC13 TCR, ORTHORHOMBIC CRYSTAL FORM | | Descriptor: | CHLORIDE ION, TRAV27_LC13 TCR ALPHA CHAIN, TRBV27_LC13 TCR BETA CHAIN | | Authors: | Patskovska, L, Patskovsky, Y, Nyovanie, S, Natarajan, A, Joshi, B, Morin, B, Brittsan, C, Huber, O, Gordon, S, Michelet, X, Schmitzberger, F, Stein, R, Findeis, M, Hurwitz, A, Van Dijk, M, Buell, J, Underwood, D, Krogsgaard, M. | | Deposit date: | 2021-09-17 | | Release date: | 2022-11-02 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (1.92 Å) | | Cite: | Molecular mechanism of phosphopeptide neoantigen immunogenicity.
Nat Commun, 14, 2023
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1KCU
 | | CRYSTAL STRUCTURE OF ANTIBODY PC287 | | Descriptor: | PC287 IMMUNOGLOBULIN | | Authors: | Nair, D.T, Singh, K, Siddiqui, Z, Nayak, B.P, Rao, K.V.S, Salunke, D.M. | | Deposit date: | 2001-11-11 | | Release date: | 2002-05-11 | | Last modified: | 2024-10-30 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Epitope recognition by diverse antibodies suggests conformational convergence in an antibody response.
J.Immunol., 168, 2002
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1KCV
 | | Crystal structure of antibody pc282 | | Descriptor: | PC282 IMMUNOGLOBULIN | | Authors: | Nair, D.T, Singh, K, Siddiqui, Z, Nayak, B.P, Rao, K.V, Salunke, D.M. | | Deposit date: | 2001-11-11 | | Release date: | 2002-05-11 | | Last modified: | 2024-11-06 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Epitope recognition by diverse antibodies suggests conformational convergence in an antibody response.
J.Immunol., 168, 2002
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7S7D
 | | STRUCTURE OF HLA-B*07:02 IN COMPLEX WITH SYNTHETIC SULFO-MLL PEPTIDE ANALOG | | Descriptor: | Beta-2-microglobulin, GLYCEROL, HLA class I histocompatibility antigen, ... | | Authors: | Patskovska, L, Patskovsky, Y, Nyovanie, S, Natarajan, A, Joshi, B, Morin, B, Brittsan, C, Huber, O, Gordon, S, Michelet, X, Schmitzberger, F, Stein, R, Findeis, M, Hurwitz, A, Van Dijk, M, Buell, J, Underwood, D, Krogsgaard, M. | | Deposit date: | 2021-09-15 | | Release date: | 2022-11-02 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (1.56 Å) | | Cite: | Molecular mechanism of phosphopeptide neoantigen immunogenicity.
Nat Commun, 14, 2023
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5AMH
 | | Cereblon isoform 4 from Magnetospirillum gryphiswaldense in complex with Thalidomide, trigonal crystal form | | Descriptor: | CALCIUM ION, CEREBLON ISOFORM 4, CHLORIDE ION, ... | | Authors: | Hartmann, M.D, Lupas, A.N, Hernandez Alvarez, B. | | Deposit date: | 2015-03-10 | | Release date: | 2015-07-01 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (1.2 Å) | | Cite: | Structural Dynamics of the Cereblon Ligand Binding Domain.
Plos One, 10, 2015
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4MES
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7S8E
 | | STRUCTURE OF HLA-B*07:02 IN COMPLEX WITH MLL(747-755) PHOSPHOPEPTIDE AND BOUND GLYCEROL | | Descriptor: | Beta-2-microglobulin, GLYCEROL, HLA class I histocompatibility antigen, ... | | Authors: | Patskovsky, Y, Nyovanie, S, Patskovska, L, Natarajan, A, Joshi, B, Morin, B, Brittsan, C, Huber, O, Gordon, S, Michelet, X, Schmitzberger, F, Stein, R, Findeis, M, Hurwitz, A, Van Dijk, M, Buell, J, Underwood, D, Krogsgaard, M. | | Deposit date: | 2021-09-17 | | Release date: | 2022-11-02 | | Last modified: | 2024-10-23 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | Molecular mechanism of phosphopeptide neoantigen immunogenicity.
Nat Commun, 14, 2023
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4LPA
 | | Crystal structure of a Cdc6 phosphopeptide in complex with Cks1 | | Descriptor: | Cyclin-dependent kinases regulatory subunit | | Authors: | McGrath, D.A, Balog, E.R.M, Koivomagi, M, Lucena, R, Mai, M.V, Hirschi, A, Kellogg, D.R, Loog, M, Rubin, S.M. | | Deposit date: | 2013-07-15 | | Release date: | 2013-11-06 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (2.9 Å) | | Cite: | Cks confers specificity to phosphorylation-dependent CDK signaling pathways.
Nat.Struct.Mol.Biol., 20, 2013
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7S8F
 | | STRUCTURE OF HLA-B*07:02 IN COMPLEX WITH MLL(747-755) PEPTIDE AND BOUND GLYCEROL | | Descriptor: | Beta-2-microglobulin, GLYCEROL, HLA class I histocompatibility antigen, ... | | Authors: | Patskovsky, Y, Nyovanie, S, Patskovska, L, Natarajan, A, Joshi, B, Morin, B, Brittsan, C, Huber, O, Gordon, S, Michelet, X, Schmitzberger, F, Stein, R, Findeis, M, Hurwitz, A, Van Dijk, M, Buell, J, Underwood, D, Krogsgaard, M. | | Deposit date: | 2021-09-17 | | Release date: | 2022-11-02 | | Last modified: | 2024-11-06 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Molecular mechanism of phosphopeptide neoantigen immunogenicity.
Nat Commun, 14, 2023
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1KRX
 | | SOLUTION STRUCTURE OF BERYLLOFLUORIDE-ACTIVATED NTRC RECEIVER DOMAIN: MODEL STRUCTURES INCORPORATING ACTIVE SITE CONTACTS | | Descriptor: | BERYLLIUM TRIFLUORIDE ION, NITROGEN REGULATION PROTEIN NR(I) | | Authors: | Hastings, C.A, Lee, S.-Y, Cho, H.S, Yan, D, Kustu, S, Wemmer, D.E. | | Deposit date: | 2002-01-10 | | Release date: | 2003-08-19 | | Last modified: | 2024-05-22 | | Method: | SOLUTION NMR | | Cite: | High-Resolution Solution Structure of the Beryllofluoride-Activated NtrC Receiver Domain
Biochemistry, 42, 2003
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1KFY
 | | QUINOL-FUMARATE REDUCTASE WITH QUINOL INHIBITOR 2-[1-(4-CHLORO-PHENYL)-ETHYL]-4,6-DINITRO-PHENOL | | Descriptor: | 2-[1-(4-CHLORO-PHENYL)-ETHYL]-4,6-DINITRO-PHENOL, FE2/S2 (INORGANIC) CLUSTER, FE3-S4 CLUSTER, ... | | Authors: | Iverson, T.M, Luna-Chavez, C, Croal, L.R, Cecchini, G, Rees, D.C. | | Deposit date: | 2001-11-24 | | Release date: | 2002-03-13 | | Last modified: | 2024-10-30 | | Method: | X-RAY DIFFRACTION (3.6 Å) | | Cite: | Crystallographic studies of the Escherichia coli quinol-fumarate reductase with inhibitors bound to the
quinol-binding site.
J.Biol.Chem., 277, 2002
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4CR5
 | | Creating novel F1 inhibitors through fragment based lead generation and structure aided drug design | | Descriptor: | 6-chloroquinolin-2(1H)-one, COAGULATION FACTOR XIA, SULFATE ION | | Authors: | Sandmark, J, Oster, L, Fjellstrom, O, Akkaya, S, Beisel, H.G, Eriksson, P.O, Erixon, K, Gustafsson, D, Jurva, U, Kang, D, Karis, D, Knecht, W, Nerme, V, Nilsson, I, Olsson, T, Redzic, A, Roth, R, Tigerstrom, A. | | Deposit date: | 2014-02-25 | | Release date: | 2015-02-11 | | Last modified: | 2024-10-16 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Creating Novel Activated Factor Xi Inhibitors Through Fragment Based Lead Generation and Structure Aided Drug Design.
Plos One, 10, 2015
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4CRG
 | | Creating novel F1 inhibitors through fragment based lead generation and structure aided drug design | | Descriptor: | 6-carbamimidoyl-N-phenyl-4-(pyrimidin-2-ylamino)naphthalene-2-carboxamide, COAGULATION FACTOR XI, GLYCEROL, ... | | Authors: | Sandmark, J, Oster, L, Fjellstrom, O, Akkaya, S, Beisel, H.G, Eriksson, P.O, Erixon, K, Gustafsson, D, Jurva, U, Kang, D, Karis, D, Knecht, W, Nerme, V, Nilsson, I, Olsson, T, Redzic, A, Roth, R, Tigerstrom, A. | | Deposit date: | 2014-02-26 | | Release date: | 2015-02-11 | | Last modified: | 2024-10-16 | | Method: | X-RAY DIFFRACTION (1.25 Å) | | Cite: | Creating Novel Activated Factor Xi Inhibitors Through Fragment Based Lead Generation and Structure Aided Drug Design.
Plos One, 10, 2015
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4CRA
 | | Creating novel F1 inhibitors through fragment based lead generation and structure aided drug design | | Descriptor: | COAGULATION FACTOR XI, GLYCEROL, N-[(1S)-2-[(2-amino-5-quinolyl)methylamino]-1-benzyl-2-oxo-ethyl]-4-hydroxy-2-oxo-1H-quinoline-6-carboxamide, ... | | Authors: | Sandmark, J, Oster, L, Fjellstrom, O, Akkaya, S, Beisel, H.G, Eriksson, P.O, Erixon, K, Gustafsson, D, Jurva, U, Kang, D, Karis, D, Knecht, W, Nerme, V, Nilsson, I, Olsson, T, Redzic, A, Roth, R, Tigerstrom, A. | | Deposit date: | 2014-02-26 | | Release date: | 2015-02-11 | | Last modified: | 2024-11-06 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Creating Novel Activated Factor Xi Inhibitors Through Fragment Based Lead Generation and Structure Aided Drug Design.
Plos One, 10, 2015
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4CRD
 | | Creating novel F1 inhibitors through fragment based lead generation and structure aided drug design | | Descriptor: | COAGULATION FACTOR XI, Methyl N-[4-[5-chloro-2-[[3-[5-chloro-2-(tetrazol-1-yl)phenyl]propanoylamino]methyl]-1H-imidazol-4-yl]phenyl]carbamate, SULFATE ION | | Authors: | Sandmark, J, Oster, L, Fjellstrom, O, Akkaya, S, Beisel, H.G, Eriksson, P.O, Erixon, K, Gustafsson, D, Jurva, U, Kang, D, Karis, D, Knecht, W, Nerme, V, Nilsson, I, Olsson, T, Redzic, A, Roth, R, Tigerstrom, A. | | Deposit date: | 2014-02-26 | | Release date: | 2015-02-11 | | Last modified: | 2024-11-06 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Creating Novel Activated Factor Xi Inhibitors Through Fragment Based Lead Generation and Structure Aided Drug Design.
Plos One, 10, 2015
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1KRW
 | | SOLUTION STRUCTURE AND BACKBONE DYNAMICS OF BERYLLOFLUORIDE-ACTIVATED NTRC RECEIVER DOMAIN | | Descriptor: | NITROGEN REGULATION PROTEIN NR(I) | | Authors: | Hastings, C.A, Lee, S.-Y, Cho, H.S, Yan, D, Kustu, S, Wemmer, D.E. | | Deposit date: | 2002-01-10 | | Release date: | 2003-08-19 | | Last modified: | 2024-05-22 | | Method: | SOLUTION NMR | | Cite: | High-Resolution Solution Structure of the Beryllofluoride-Activated NtrC Receiver Domain
Biochemistry, 42, 2003
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8CHD
 | | NtUGT1 in two conformations | | Descriptor: | 1,2-ETHANEDIOL, GLYCEROL, Glycosyltransferase, ... | | Authors: | Fredslund, F, Teze, D, Adams, P.D, Welner, D.H. | | Deposit date: | 2023-02-07 | | Release date: | 2024-02-21 | | Method: | X-RAY DIFFRACTION (2.34 Å) | | Cite: | NtUGT1 in two conformations
To Be Published
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6ECE
 | | Vlm2 thioesterase domain with genetically encoded 2,3-diaminopropionic acid bound with a dodecadepsipeptide, space group H3 | | Descriptor: | Vlm2, dodecadepsipeptide | | Authors: | Alonzo, D.A, Huguenin-Dezot, N, Heberlig, G.W, Mahesh, M, Nguyen, D.P, Dornan, M.H, Boddy, C.N, Chin, J.W, Schmeing, T.M. | | Deposit date: | 2018-08-07 | | Release date: | 2018-12-12 | | Last modified: | 2023-11-15 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Trapping biosynthetic acyl-enzyme intermediates with encoded 2,3-diaminopropionic acid.
Nature, 565, 2019
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8QWR
 | | Crystal structure of CotB2 variant V80L | | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, 3-CYCLOHEXYL-1-PROPYLSULFONIC ACID, Cyclooctat-9-en-7-ol synthase, ... | | Authors: | Dimos, N, Himpich, S, Ringel, M, Driller, R, Major, D.T, Brueck, T, Loll, B. | | Deposit date: | 2023-10-20 | | Release date: | 2024-04-24 | | Last modified: | 2024-11-06 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | How Can the Diterpene Synthase CotB2V80L Alter the Product Profile?
Chemcatchem, n/a, 2024
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8CLP
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6KVQ
 | | S. aureus FtsZ in complex with BOFP (compound 3) | | Descriptor: | CALCIUM ION, Cell division protein FtsZ, GUANOSINE-5'-DIPHOSPHATE, ... | | Authors: | Ferrer-Gonzalez, E, Fujita, J, Yoshizawa, T, Nelson, J.M, Pilch, A.J, Hillman, E, Ozawa, M, Kuroda, N, Parhi, A.K, LaVoie, E.J, Matsumura, H, Pilch, D.S. | | Deposit date: | 2019-09-05 | | Release date: | 2020-01-15 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | Structure-Guided Design of a Fluorescent Probe for the Visualization of FtsZ in Clinically Important Gram-Positive and Gram-Negative Bacterial Pathogens.
Sci Rep, 9, 2019
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6QLW
 | | Cathepsin-K in complex with MIV-710 | | Descriptor: | CHLORIDE ION, Cathepsin K, SODIUM ION, ... | | Authors: | Derbyshire, D.J. | | Deposit date: | 2019-02-01 | | Release date: | 2020-02-19 | | Last modified: | 2024-10-16 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Successful development of 3-oxohexahydrofuropyrrole amino acid amides as inhibitors of Cathepsin-K.
To Be Published
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