2KN1
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![BU of 2kn1 by Molmil](/molmil-images/mine/2kn1) | Solution NMR Structure of BCMA | Descriptor: | Tumor necrosis factor receptor superfamily member 17 | Authors: | Pellegrini, M, Willen, L, Perroud, M, Krushinskie, D, Strauch, K, Cuervo, H, Sun, Y, Day, E.S, Schneider, P, Zheng, T.S. | Deposit date: | 2009-08-11 | Release date: | 2011-02-23 | Last modified: | 2013-05-01 | Method: | SOLUTION NMR | Cite: | Structure of the extracellular domains of human and Xenopus Fn14: implications in the evolution of TWEAK and Fn14 interactions. Febs J., 280, 2013
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2KMZ
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![BU of 2kmz by Molmil](/molmil-images/mine/2kmz) | NMR Structure of hFn14 | Descriptor: | Tumor necrosis factor receptor superfamily member 12A | Authors: | Pellegrini, M, Willen, L, Perroud, M, Krushinskie, D, Strauch, K, Cuervo, H, Sun, Y, Day, E.S, Schneider, P, Zheng, T.S. | Deposit date: | 2009-08-10 | Release date: | 2011-06-29 | Last modified: | 2013-05-01 | Method: | SOLUTION NMR | Cite: | Structure of the extracellular domains of human and Xenopus Fn14: implications in the evolution of TWEAK and Fn14 interactions. Febs J., 280, 2013
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2KN0
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![BU of 2kn0 by Molmil](/molmil-images/mine/2kn0) | Solution NMR Structure of xenopus Fn14 | Descriptor: | Fn14 | Authors: | Pellegrini, M, Willen, L, Perroud, M, Krushinskie, D, Strauch, K, Cuervo, H, Sun, Y, Day, E.S, Schneider, P, Zheng, T.S. | Deposit date: | 2009-08-11 | Release date: | 2011-06-29 | Last modified: | 2013-05-01 | Method: | SOLUTION NMR | Cite: | Structure of the extracellular domains of human and Xenopus Fn14: implications in the evolution of TWEAK and Fn14 interactions. Febs J., 280, 2013
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2AZ5
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![BU of 2az5 by Molmil](/molmil-images/mine/2az5) | Crystal Structure of TNF-alpha with a small molecule inhibitor | Descriptor: | 6,7-DIMETHYL-3-[(METHYL{2-[METHYL({1-[3-(TRIFLUOROMETHYL)PHENYL]-1H-INDOL-3-YL}METHYL)AMINO]ETHYL}AMINO)METHYL]-4H-CHROMEN-4-ONE, Tumor necrosis factor (TNF-alpha) (Tumor necrosis factor ligand superfamily member 2) (TNF-a) (Cachectin) [Contains: Tumor necrosis factor, membrane form; Tumor necrosis factor, ... | Authors: | He, M.M. | Deposit date: | 2005-09-09 | Release date: | 2005-11-29 | Last modified: | 2023-08-23 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Small-molecule inhibition of TNF-alpha. Science, 310, 2005
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3LKJ
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![BU of 3lkj by Molmil](/molmil-images/mine/3lkj) | Small Molecule Inhibition of the TNF Family Cyokine CD40 Ligand Through a Subunit Fracture Mechanism | Descriptor: | (2R)-{[(2'-[(biphenyl-3-ylmethyl)carbamoyl]-6'-{[(2R)-2-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]carbonyl}-6-{[(2R)-2-(1H-pyrrol-1-ylmethyl)pyrrolidin-1-yl]carbonyl}-4,4'-bipyridin-2-yl)carbonyl]amino}(cyclohexyl)ethanoic acid, 2-acetamido-2-deoxy-beta-D-glucopyranose, CD40 ligand | Authors: | Silvian, L.F, Whitty, A. | Deposit date: | 2010-01-27 | Release date: | 2011-02-02 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Small Molecule Inhibition of the TNF Family Cytokine CD40 Ligand through a Subunit Fracture Mechanism. Acs Chem.Biol., 6, 2011
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3M1N
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![BU of 3m1n by Molmil](/molmil-images/mine/3m1n) | Crystal structure of Human Sonic Hedgehog N-terminal domain | Descriptor: | SULFATE ION, Sonic hedgehog protein, ZINC ION | Authors: | Boriack-Sjodin, P.A, Pepinsky, R.B, Garber, E.A, Silvian, L.F. | Deposit date: | 2010-03-05 | Release date: | 2010-03-16 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (1.85 Å) | Cite: | Mapping sonic hedgehog-receptor interactions by steric interference. J.Biol.Chem., 275, 2000
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6W3A
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![BU of 6w3a by Molmil](/molmil-images/mine/6w3a) | Structure of unphosphorylated IRE1 in complex with G-7658 | Descriptor: | Serine/threonine-protein kinase/endoribonuclease IRE1, ~{N}-[6-methyl-5-[3-[2-[[(3~{S})-piperidin-3-yl]amino]pyrimidin-4-yl]pyridin-2-yl]oxy-naphthalen-1-yl]but-2-ynamide | Authors: | Ferri, E, Wang, W, Joachim, R, Mortara, K. | Deposit date: | 2020-03-09 | Release date: | 2020-12-09 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.606 Å) | Cite: | Activation of the IRE1 RNase through remodeling of the kinase front pocket by ATP-competitive ligands. Nat Commun, 11, 2020
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6W3K
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![BU of 6w3k by Molmil](/molmil-images/mine/6w3k) | Structure of unphosphorylated human IRE1 bound to G-9807 | Descriptor: | 4-[5-[2,6-bis(fluoranyl)phenyl]-2~{H}-pyrazolo[3,4-b]pyridin-3-yl]-2-(4-oxidanylpiperidin-1-yl)-1~{H}-pyrimidin-6-one, Serine/threonine-protein kinase/endoribonuclease IRE1 | Authors: | Lammens, A, Wang, W, Ferri, E, Rudolph, J. | Deposit date: | 2020-03-09 | Release date: | 2020-12-09 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.08 Å) | Cite: | Activation of the IRE1 RNase through remodeling of the kinase front pocket by ATP-competitive ligands. Nat Commun, 11, 2020
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6W3C
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![BU of 6w3c by Molmil](/molmil-images/mine/6w3c) | Structure of phosphorylated apo IRE1 | Descriptor: | Serine/threonine-protein kinase/endoribonuclease IRE1 | Authors: | Wallweber, H, Mortara, K, Ferri, E, Wang, W, Rudolph, J. | Deposit date: | 2020-03-09 | Release date: | 2020-12-09 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Activation of the IRE1 RNase through remodeling of the kinase front pocket by ATP-competitive ligands. Nat Commun, 11, 2020
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6W3E
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![BU of 6w3e by Molmil](/molmil-images/mine/6w3e) | Structure of phosphorylated IRE1 in complex with G-0701 | Descriptor: | Serine/threonine-protein kinase/endoribonuclease IRE1, methyl ~{N}-[6-methyl-5-[3-[2-[[(3~{S})-piperidin-3-yl]amino]pyrimidin-4-yl]pyridin-2-yl]oxy-naphthalen-1-yl]carbamate | Authors: | Ferri, E, Wang, W, Joachim, R, Mortara, K. | Deposit date: | 2020-03-09 | Release date: | 2020-12-09 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.737 Å) | Cite: | Activation of the IRE1 RNase through remodeling of the kinase front pocket by ATP-competitive ligands. Nat Commun, 11, 2020
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6W39
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![BU of 6w39 by Molmil](/molmil-images/mine/6w39) | Structure of unphosphorylated IRE1 in complex with G-1749 | Descriptor: | Serine/threonine-protein kinase/endoribonuclease IRE1, ethyl ~{N}-[6-methyl-5-[3-[2-[[(3~{S})-piperidin-3-yl]amino]pyrimidin-4-yl]pyridin-2-yl]oxy-naphthalen-1-yl]carbamate | Authors: | Ferri, E, Wang, W, Joachim, R, Mortara, K. | Deposit date: | 2020-03-09 | Release date: | 2020-12-09 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.736 Å) | Cite: | Activation of the IRE1 RNase through remodeling of the kinase front pocket by ATP-competitive ligands. Nat Commun, 11, 2020
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6W3B
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![BU of 6w3b by Molmil](/molmil-images/mine/6w3b) | Structure of apo unphosphorylated IRE1 | Descriptor: | Serine/threonine-protein kinase/endoribonuclease IRE1 | Authors: | Wallweber, H, Mortara, K, Ferri, E, Rudolph, J, Wang, W. | Deposit date: | 2020-03-09 | Release date: | 2020-12-09 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.57 Å) | Cite: | Activation of the IRE1 RNase through remodeling of the kinase front pocket by ATP-competitive ligands. Nat Commun, 11, 2020
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6CQE
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![BU of 6cqe by Molmil](/molmil-images/mine/6cqe) | Crystal structure of HPK1 kinase domain S171A mutant | Descriptor: | Mitogen-activated protein kinase kinase kinase kinase 1 | Authors: | Wu, P, Lehoux, I, Mortara, K, Franke, Y, Wang, W. | Deposit date: | 2018-03-15 | Release date: | 2018-12-19 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (1.886 Å) | Cite: | Hematopoietic Progenitor Kinase-1 Structure in a Domain-Swapped Dimer. Structure, 27, 2019
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6CQD
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![BU of 6cqd by Molmil](/molmil-images/mine/6cqd) | Crystal structure of HPK1 in complex with ATP analogue (AMPPNP) | Descriptor: | MAGNESIUM ION, Mitogen-activated protein kinase kinase kinase kinase 1, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER | Authors: | Wu, P, Lehoux, I, Franke, Y, Mortara, K, Wang, W. | Deposit date: | 2018-03-14 | Release date: | 2018-12-19 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (2.12 Å) | Cite: | Hematopoietic Progenitor Kinase-1 Structure in a Domain-Swapped Dimer. Structure, 27, 2019
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6CQF
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![BU of 6cqf by Molmil](/molmil-images/mine/6cqf) | Crystal structure of HPK1 in complex an inhibitor G1858 | Descriptor: | Mitogen-activated protein kinase kinase kinase kinase 1, N-{2-(3,3-difluoropyrrolidin-1-yl)-6-[(3R)-pyrrolidin-3-yl]pyrimidin-4-yl}-1-(propan-2-yl)-1H-pyrazolo[4,3-c]pyridin-6-amine | Authors: | Wu, P, Lehoux, I, Mortara, K, Franke, Y, Chan, B.K, Wang, W. | Deposit date: | 2018-03-15 | Release date: | 2018-12-19 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (2.246 Å) | Cite: | Hematopoietic Progenitor Kinase-1 Structure in a Domain-Swapped Dimer. Structure, 27, 2019
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5O3X
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![BU of 5o3x by Molmil](/molmil-images/mine/5o3x) | Structural characterization of the fast and promiscuous macrocyclase from plant - apo PCY1 | Descriptor: | CACODYLATE ION, Peptide cyclase 1 | Authors: | Ludewig, H, Czekster, C.M, Bent, A.F, Naismith, J.H. | Deposit date: | 2017-05-25 | Release date: | 2018-02-07 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (2.55 Å) | Cite: | Characterization of the Fast and Promiscuous Macrocyclase from Plant PCY1 Enables the Use of Simple Substrates. ACS Chem. Biol., 13, 2018
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5O3V
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![BU of 5o3v by Molmil](/molmil-images/mine/5o3v) | Structural characterization of the fast and promiscuous macrocyclase from plant - PCY1-S562A bound to Presegetalin B1 | Descriptor: | MAGNESIUM ION, Peptide cyclase 1, Putative presegetalin B1, ... | Authors: | Ludewig, H, Czekster, C.M, Bent, A.F, Naismith, J.H. | Deposit date: | 2017-05-25 | Release date: | 2018-02-07 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (2.17 Å) | Cite: | Characterization of the Fast and Promiscuous Macrocyclase from Plant PCY1 Enables the Use of Simple Substrates. ACS Chem. Biol., 13, 2018
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5O3U
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![BU of 5o3u by Molmil](/molmil-images/mine/5o3u) | Structural characterization of the fast and promiscuous macrocyclase from plant - PCY1-S562A bound to Presegetalin F1 | Descriptor: | Peptide cyclase 1, Putative presegetalin F1 | Authors: | Ludewig, H, Czekster, C.M, Bent, A.F, Naismith, J.H. | Deposit date: | 2017-05-25 | Release date: | 2018-02-07 | Last modified: | 2024-05-01 | Method: | X-RAY DIFFRACTION (1.86 Å) | Cite: | Characterization of the Fast and Promiscuous Macrocyclase from Plant PCY1 Enables the Use of Simple Substrates. ACS Chem. Biol., 13, 2018
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5O3W
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![BU of 5o3w by Molmil](/molmil-images/mine/5o3w) | Structural characterization of the fast and promiscuous macrocyclase from plant - PCY1-S562A bound to Presegetalin A1 | Descriptor: | MAGNESIUM ION, Peptide cyclase 1, Presegetalin A1, ... | Authors: | Ludewig, H, Czekster, C.M, Bent, A.F, Naismith, J.H. | Deposit date: | 2017-05-25 | Release date: | 2018-02-07 | Last modified: | 2024-05-01 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Characterization of the Fast and Promiscuous Macrocyclase from Plant PCY1 Enables the Use of Simple Substrates. ACS Chem. Biol., 13, 2018
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