6S8O
 
 | | Human Brr2 Helicase Region M641C/A1582C | | Descriptor: | U5 small nuclear ribonucleoprotein 200 kDa helicase | | Authors: | Vester, K, Santos, K.F, Wahl, M.C. | | Deposit date: | 2019-07-10 | | Release date: | 2020-01-22 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (3.172 Å) | | Cite: | The inactive C-terminal cassette of the dual-cassette RNA helicase BRR2 both stimulates and inhibits the activity of the N-terminal helicase unit.
J.Biol.Chem., 295, 2020
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7PPH
 | | CRYSTAL STRUCTURE OF NAMPT IN COMPLEX WITH Compound 10 | | Descriptor: | GLYCEROL, N-[4-[(5R)-6-oxidanylidene-5-quinolin-5-yl-5-(trifluoromethyl)-1,4-dihydropyridazin-3-yl]phenyl]-1,3-dihydropyrrolo[3,4-c]pyridine-2-carboxamide, Nicotinamide phosphoribosyltransferase, ... | | Authors: | Hillig, R.C. | | Deposit date: | 2021-09-13 | | Release date: | 2022-06-15 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (1.74 Å) | | Cite: | A Novel NAMPT Inhibitor-Based Antibody-Drug Conjugate Payload Class for Cancer Therapy.
Bioconjug.Chem., 33, 2022
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7PPI
 | | Crystal STRUCTURE OF NAMPT IN COMPLEX WITH Compound 11 | | Descriptor: | CHLORIDE ION, GLYCEROL, N-[4-[(5R)-1-(4-azanylbutyl)-6-oxidanylidene-5-quinolin-5-yl-4,5-dihydropyridazin-3-yl]phenyl]-1,3-dihydropyrrolo[3,4-c]pyridine-2-carboxamide, ... | | Authors: | Hillig, R.C. | | Deposit date: | 2021-09-13 | | Release date: | 2022-06-15 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (2.33 Å) | | Cite: | A Novel NAMPT Inhibitor-Based Antibody-Drug Conjugate Payload Class for Cancer Therapy.
Bioconjug.Chem., 33, 2022
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5KHH
 | | HCN2 CNBD in complex with inosine-3', 5'-cyclic monophosphate (cIMP) | | Descriptor: | Inosine-3',5'-cyclic monophosphate, Potassium/sodium hyperpolarization-activated cyclic nucleotide-gated channel 2 | | Authors: | Ng, L.C.T, Putrenko, I, Baronas, V, Van Petegem, F, Accili, E.A. | | Deposit date: | 2016-06-14 | | Release date: | 2016-09-14 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (1.77 Å) | | Cite: | Cyclic Purine and Pyrimidine Nucleotides Bind to the HCN2 Ion Channel and Variably Promote C-Terminal Domain Interactions and Opening.
Structure, 24, 2016
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7PPG
 | | CRYSTAL STRUCTURE OF NAMPT IN COMPLEX WITH COMPOUND 9 | | Descriptor: | 1,2-ETHANEDIOL, N-[4-[(4R)-1-cyclopentyl-4-methyl-6-oxidanylidene-4,5-dihydropyridazin-3-yl]phenyl]-1,3-dihydropyrrolo[3,4-c]pyridine-2-carboxamide, Nicotinamide phosphoribosyltransferase, ... | | Authors: | Hillig, R.C. | | Deposit date: | 2021-09-13 | | Release date: | 2022-06-15 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (2.13 Å) | | Cite: | A Novel NAMPT Inhibitor-Based Antibody-Drug Conjugate Payload Class for Cancer Therapy.
Bioconjug.Chem., 33, 2022
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6PAG
 | | Killer cell immunoglobulin-like receptor 2DL3 in complex with HLA-C*07:02 | | Descriptor: | ARG-TYR-ARG-PRO-GLY-THR-VAL-ALA-LEU, Beta-2-microglobulin, HLA class I histocompatibility antigen, ... | | Authors: | Moradi, S, Rossjohn, J, Vivian, J.P. | | Deposit date: | 2019-06-11 | | Release date: | 2020-12-16 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (2.501 Å) | | Cite: | Structural plasticity of KIR2DL2 and KIR2DL3 enables altered docking geometries atop HLA-C.
Nat Commun, 12, 2021
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6PA1
 | | Killer cell immunoglobulin-like receptor 2DL2 in complex with HLA-C*07:02 | | Descriptor: | ARG-TYR-ARG-PRO-GLY-THR-VAL-ALA-LEU, Beta-2-microglobulin, HLA class I histocompatibility antigen, ... | | Authors: | Moradi, S, Rossjohn, J, Vivian, J.P. | | Deposit date: | 2019-06-11 | | Release date: | 2020-12-16 | | Last modified: | 2024-10-09 | | Method: | X-RAY DIFFRACTION (3.01 Å) | | Cite: | Structural plasticity of KIR2DL2 and KIR2DL3 enables altered docking geometries atop HLA-C.
Nat Commun, 12, 2021
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7B42
 | | Crystal structure of c-MET bound by compound 8 | | Descriptor: | 3-[(3-fluorophenyl)methyl]-5-(1-piperidin-4-ylpyrazol-4-yl)-1~{H}-pyrrolo[2,3-b]pyridine, Hepatocyte growth factor receptor | | Authors: | Collie, G.W. | | Deposit date: | 2020-12-02 | | Release date: | 2020-12-09 | | Last modified: | 2024-05-01 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Structural Basis for Targeting the Folded P-Loop Conformation of c-MET.
Acs Med.Chem.Lett., 12, 2021
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7B40
 | | Crystal structure of c-MET bound by compound 6 | | Descriptor: | 3-(phenylmethyl)-5-(1-piperidin-4-ylpyrazol-4-yl)-1~{H}-pyrrolo[2,3-b]pyridine, Hepatocyte growth factor receptor | | Authors: | Collie, G.W. | | Deposit date: | 2020-12-01 | | Release date: | 2020-12-09 | | Last modified: | 2024-05-01 | | Method: | X-RAY DIFFRACTION (1.76 Å) | | Cite: | Structural Basis for Targeting the Folded P-Loop Conformation of c-MET.
Acs Med.Chem.Lett., 12, 2021
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7B43
 | | Crystal structure of c-MET bound by compound 9 | | Descriptor: | 3-[(4-fluorophenyl)methyl]-5-(1-piperidin-4-ylpyrazol-4-yl)-1~{H}-pyrrolo[2,3-b]pyridine, Hepatocyte growth factor receptor | | Authors: | Collie, G.W. | | Deposit date: | 2020-12-02 | | Release date: | 2020-12-09 | | Last modified: | 2024-05-01 | | Method: | X-RAY DIFFRACTION (1.87 Å) | | Cite: | Structural Basis for Targeting the Folded P-Loop Conformation of c-MET.
Acs Med.Chem.Lett., 12, 2021
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5LXV
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7B3W
 | | Crystal structure of c-MET bound by compound 4 | | Descriptor: | 1,2-ETHANEDIOL, 3-(6-fluoranyl-1~{H}-indazol-4-yl)-4,5-dihydro-1~{H}-pyrrolo[3,4-b]pyrrol-6-one, Hepatocyte growth factor receptor | | Authors: | Collie, G.W. | | Deposit date: | 2020-12-01 | | Release date: | 2020-12-09 | | Last modified: | 2024-05-01 | | Method: | X-RAY DIFFRACTION (2.02 Å) | | Cite: | Structural Basis for Targeting the Folded P-Loop Conformation of c-MET.
Acs Med.Chem.Lett., 12, 2021
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7B3Z
 | | Crystal structure of c-MET bound by compound 5 | | Descriptor: | 3-[3-(phenylmethyl)-1~{H}-pyrrolo[2,3-b]pyridin-5-yl]-4,5-dihydro-1~{H}-pyrrolo[3,4-b]pyrrol-6-one, DIMETHYL SULFOXIDE, Hepatocyte growth factor receptor | | Authors: | Collie, G.W. | | Deposit date: | 2020-12-01 | | Release date: | 2020-12-09 | | Last modified: | 2024-05-01 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Structural Basis for Targeting the Folded P-Loop Conformation of c-MET.
Acs Med.Chem.Lett., 12, 2021
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7B3V
 | | Crystal structure of c-MET bound by compound 3 | | Descriptor: | 3-(3-methyl-1~{H}-pyrrolo[2,3-b]pyridin-5-yl)-1~{H}-pyrrolo[3,4-b]pyrrol-6-one, Hepatocyte growth factor receptor | | Authors: | Collie, G.W. | | Deposit date: | 2020-12-01 | | Release date: | 2020-12-09 | | Last modified: | 2024-05-01 | | Method: | X-RAY DIFFRACTION (1.93 Å) | | Cite: | Structural Basis for Targeting the Folded P-Loop Conformation of c-MET.
Acs Med.Chem.Lett., 12, 2021
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7B44
 | | Crystal structure of c-MET bound by compound S1 | | Descriptor: | 5-methoxy-1~{H}-indazole, DIMETHYL SULFOXIDE, Hepatocyte growth factor receptor, ... | | Authors: | Collie, G.W. | | Deposit date: | 2020-12-02 | | Release date: | 2020-12-09 | | Last modified: | 2024-05-01 | | Method: | X-RAY DIFFRACTION (1.76 Å) | | Cite: | Structural Basis for Targeting the Folded P-Loop Conformation of c-MET.
Acs Med.Chem.Lett., 12, 2021
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5IOI
 | | X-RAY STRUCTURE OF THE N-TERMINAL DOMAIN OF HUMAN DOUBLECORTIN | | Descriptor: | Neuronal migration protein doublecortin | | Authors: | Ruf, A, Benz, J, Burger, D, D'Arcy, B, Debulpaep, M, Di Lello, P, Fry, D, Huber, W, Kremer, T, Laeremans, T, Matile, H, Ross, A, Rudolph, M.G, Rufer, A.C, Sharma, A, Steinmetz, M.O, Steyaert, J, Schoch, G, Stihle, M, Thoma, R. | | Deposit date: | 2016-03-08 | | Release date: | 2016-03-23 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Crystal Structures of the Human Doublecortin C- and N-terminal Domains in Complex with Specific Antibodies.
J.Biol.Chem., 291, 2016
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5NMS
 | | Hsp21 dodecamer, structural model based on cryo-EM and homology modelling | | Descriptor: | 25.3 kDa heat shock protein, chloroplastic | | Authors: | Rutsdottir, G, Harmark, J, Koeck, P.J.B, Hebert, H, Soderberg, C.A.G, Emanuelsson, C. | | Deposit date: | 2017-04-07 | | Release date: | 2017-05-03 | | Last modified: | 2024-05-08 | | Method: | ELECTRON MICROSCOPY (10 Å) | | Cite: | Structural model of dodecameric heat-shock protein Hsp21: Flexible N-terminal arms interact with client proteins while C-terminal tails maintain the dodecamer and chaperone activity.
J. Biol. Chem., 292, 2017
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5WE3
 | | Solution NMR structure of PaurTx-3 | | Descriptor: | Beta-theraphotoxin-Ps1a | | Authors: | Agwa, A.J, Schroeder, C.I. | | Deposit date: | 2017-07-06 | | Release date: | 2017-09-13 | | Last modified: | 2023-06-14 | | Method: | SOLUTION NMR | | Cite: | Lengths of the C-Terminus and Interconnecting Loops Impact Stability of Spider-Derived Gating Modifier Toxins.
Toxins (Basel), 9, 2017
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6MYY
 | | Germline VRC01 antibody recognition of a modified clade C HIV-1 envelope trimer, 3 Fabs bound, sharpened map | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 426c DS-SOSIP D3, ... | | Authors: | Borst, A.J, Weidle, C.E, Gray, M.D, Frenz, B, Snijder, J, Joyce, M.G, Georgiev, I.S, Stewart-Jones, G.B.E, Kwong, P.D, McGuire, A.T, DiMaio, F, Stamatatos, L, Pancera, M, Veesler, D. | | Deposit date: | 2018-11-02 | | Release date: | 2018-11-14 | | Last modified: | 2020-07-29 | | Method: | ELECTRON MICROSCOPY (3.8 Å) | | Cite: | Germline VRC01 antibody recognition of a modified clade C HIV-1 envelope trimer and a glycosylated HIV-1 gp120 core.
Elife, 7, 2018
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4ZRL
 | | Structure of the non canonical Poly(A) polymerase complex GLD-2 - GLD-3 | | Descriptor: | CHLORIDE ION, Defective in germ line development protein 3, Poly(A) RNA polymerase gld-2 | | Authors: | Nakel, K, Bonneau, F, Eckmann, C.R, Conti, E. | | Deposit date: | 2015-05-12 | | Release date: | 2015-07-08 | | Last modified: | 2017-09-06 | | Method: | X-RAY DIFFRACTION (2.28 Å) | | Cite: | Structural basis for the activation of the C. elegans noncanonical cytoplasmic poly(A)-polymerase GLD-2 by GLD-3.
Proc.Natl.Acad.Sci.USA, 112, 2015
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6T41
 | | CDK8/Cyclin C in complex with N-(4-chlorobenzyl)isoquinolin-4-amine | | Descriptor: | 1,2-ETHANEDIOL, Cyclin-C, Cyclin-dependent kinase 8, ... | | Authors: | Schneider, E.V, Maskos, K, Huber, R, Kuhn, C.-D. | | Deposit date: | 2019-10-11 | | Release date: | 2020-01-01 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (2.45 Å) | | Cite: | A precisely positioned MED12 activation helix stimulates CDK8 kinase activity.
Proc.Natl.Acad.Sci.USA, 117, 2020
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5GRN
 | | Crystal structure of PDGFRA in Complex with WQ-C-159 | | Descriptor: | CHLORIDE ION, N-[2-(dimethylamino)ethyl]-N-[[4-[[4-methyl-3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]phenyl]carbamoyl]phenyl]methyl]pyridine-3-carboxamide, Platelet-derived growth factor receptor alpha | | Authors: | Yan, X.E, Yun, C.H. | | Deposit date: | 2016-08-11 | | Release date: | 2017-08-16 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (1.77 Å) | | Cite: | Crystal Structure of PDGFRA in Complex with WQ-C-159
To Be Published
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6CZQ
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4YO7
 | | Crystal Structure of an ABC transporter solute binding protein (IPR025997) from Bacillus halodurans C-125 (BH2323, TARGET EFI-511484) with bound myo-inositol | | Descriptor: | 1,2,3,4,5,6-HEXAHYDROXY-CYCLOHEXANE, CHLORIDE ION, MAGNESIUM ION, ... | | Authors: | Yadava, U, Vetting, M.W, Al Obaidi, N.F, Toro, R, Morisco, L.L, Benach, J, Koss, J, Wasserman, S.R, Attonito, J.D, Scott Glenn, A, Chamala, S, Chowdhury, S, Lafleur, J, Love, J, Seidel, R.D, Whalen, K.L, Gerlt, J.A, Almo, S.C, Enzyme Function Initiative (EFI) | | Deposit date: | 2015-03-11 | | Release date: | 2015-03-25 | | Last modified: | 2024-10-16 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Crystal Structure of an ABC transporter solute binding protein (IPR025997) from Bacillus halodurans C-125 (BH2323, TARGET EFI-511484) with bound myo-inositol
To be published
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1GDF
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