2VTC
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![BU of 2vtc by Molmil](/molmil-images/mine/2vtc) | The structure of a glycoside hydrolase family 61 member, Cel61B from the Hypocrea jecorina. | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CEL61B, NICKEL (II) ION | Authors: | Karkehabadi, S, Hansson, H, Kim, S, Piens, K, Mitchinson, C, Sandgren, M. | Deposit date: | 2008-05-14 | Release date: | 2008-09-09 | Last modified: | 2020-07-29 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | The First Structure of a Glycoside Hydrolase Family 61 Member, Cel61B from the Hypocrea Jecorina, at 1.6 A Resolution. J.Mol.Biol., 383, 2008
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3TKL
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![BU of 3tkl by Molmil](/molmil-images/mine/3tkl) | Crystal structure of the GTP-bound Rab1a in complex with the coiled-coil domain of LidA from Legionella pneumophila | Descriptor: | GUANOSINE-5'-TRIPHOSPHATE, LidA protein, substrate of the Dot/Icm system, ... | Authors: | Cheng, W, Yin, K, Lu, D, Li, B, Zhu, D, Chen, Y, Zhang, H, Xu, S, Chai, J, Gu, L. | Deposit date: | 2011-08-27 | Release date: | 2012-06-27 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (2.183 Å) | Cite: | Structural insights into a unique Legionella pneumophila effector LidA recognizing both GDP and GTP bound Rab1 in their active state Plos Pathog., 8, 2012
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7XLP
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![BU of 7xlp by Molmil](/molmil-images/mine/7xlp) | MEK1 bound to DS03090629 | Descriptor: | (1~{R},3~{S})-3-[[6-[2-chloranyl-4-(4-methylpyrimidin-2-yl)oxy-phenyl]-3-methyl-1~{H}-indazol-4-yl]oxy]cyclohexan-1-amine, CALCIUM ION, DIMETHYL SULFOXIDE, ... | Authors: | Kishikawa, S, Takano, K, Ubukata, O, Hanzawa, H. | Deposit date: | 2022-04-22 | Release date: | 2023-03-01 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Discovery of a Novel ATP-Competitive MEK Inhibitor DS03090629 that Overcomes Resistance Conferred by BRAF Overexpression in BRAF-Mutated Melanoma. Mol.Cancer Ther., 22, 2023
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7XNC
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![BU of 7xnc by Molmil](/molmil-images/mine/7xnc) | MEK1 bound to DS94070624 | Descriptor: | CALCIUM ION, DIMETHYL SULFOXIDE, Dual specificity mitogen-activated protein kinase kinase 1, ... | Authors: | Kishikawa, S, Takano, K, Ubukata, O, Hanzawa, H. | Deposit date: | 2022-04-28 | Release date: | 2023-03-01 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Discovery of a Novel ATP-Competitive MEK Inhibitor DS03090629 that Overcomes Resistance Conferred by BRAF Overexpression in BRAF-Mutated Melanoma. Mol.Cancer Ther., 22, 2023
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4D7X
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![BU of 4d7x by Molmil](/molmil-images/mine/4d7x) | |
5O2W
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![BU of 5o2w by Molmil](/molmil-images/mine/5o2w) | Extended catalytic domain of Hypocrea jecorina LPMO 9A. | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, COPPER (II) ION, Glycoside hydrolase family 61, ... | Authors: | Karkehabadi, S, Hansson, H, Sandgren, M, Mikelssen, N.E. | Deposit date: | 2017-05-23 | Release date: | 2017-09-20 | Last modified: | 2020-07-29 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | High-resolution structure of a lytic polysaccharide monooxygenase from Hypocrea jecorina reveals a predicted linker as an integral part of the catalytic domain. J. Biol. Chem., 292, 2017
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3GGR
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![BU of 3ggr by Molmil](/molmil-images/mine/3ggr) | Crystal Structure of the Human Rad9-Hus1-Rad1 complex | Descriptor: | Cell cycle checkpoint control protein RAD9A, Cell cycle checkpoint protein RAD1, Checkpoint protein HUS1 | Authors: | Xu, M, Bai, L, Hang, H.Y, Jiang, T. | Deposit date: | 2009-03-02 | Release date: | 2009-06-16 | Last modified: | 2024-03-20 | Method: | X-RAY DIFFRACTION (3.2 Å) | Cite: | Structure and functional implications of the human rad9-hus1-rad1 cell cycle checkpoint complex J.Biol.Chem., 284, 2009
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5O5D
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![BU of 5o5d by Molmil](/molmil-images/mine/5o5d) | Cellobiohydrolase Cel7A from T. atroviride | Descriptor: | 2-[BIS-(2-HYDROXY-ETHYL)-AMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, CHLORIDE ION, ... | Authors: | Borisova, A.S, Stahlberg, J, Hansson, H. | Deposit date: | 2017-06-01 | Release date: | 2018-01-31 | Last modified: | 2020-07-29 | Method: | X-RAY DIFFRACTION (1.72 Å) | Cite: | Correlation of structure, function and protein dynamics in GH7 cellobiohydrolases from Trichoderma atroviride, T. reesei and T. harzianum. Biotechnol Biofuels, 11, 2018
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6IEZ
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![BU of 6iez by Molmil](/molmil-images/mine/6iez) | Crystal structure of CERT START domain in complex with compound B16 | Descriptor: | 2-({4'-pentyl-3'-[2-(pyridin-2-yl)ethyl][1,1'-biphenyl]-4-yl}sulfonyl)ethan-1-ol, LIPID-TRANSFER PROTEIN CERT | Authors: | Suzuki, M, Nakao, N, Ueno, M, Sakai, S, Egawa, D, Hanzawa, H, Kawasaki, S, Kumagai, K, Kobayashi, S, Hanada, K. | Deposit date: | 2018-09-18 | Release date: | 2019-02-27 | Last modified: | 2024-03-27 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Natural ligand-nonmimetic inhibitors of the lipid-transfer protein CERT Commun Chem, 2019
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6IF0
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![BU of 6if0 by Molmil](/molmil-images/mine/6if0) | Crystal structure of CERT START domain in complex with compound D16 | Descriptor: | 2-({4'-pentyl-3'-[(Z)-2-(pyridin-2-yl)ethenyl][1,1'-biphenyl]-4-yl}sulfonyl)ethan-1-ol, LIPID-TRANSFER PROTEIN CERT | Authors: | Suzuki, M, Nakao, N, Ueno, M, Sakai, S, Egawa, D, Hanzawa, H, Kawasaki, S, Kumagai, K, Kobayashi, S, Hanada, K. | Deposit date: | 2018-09-18 | Release date: | 2019-02-27 | Last modified: | 2024-03-27 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Natural ligand-nonmimetic inhibitors of the lipid-transfer protein CERT Commun Chem, 2019
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7WDM
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![BU of 7wdm by Molmil](/molmil-images/mine/7wdm) | Fungal immunomodulatory protein FIP-gmi | Descriptor: | Immunomodulatory protein | Authors: | Liu, Y, Bastiaan-Net, S, Zhang, Y, Hoppenbrouwers, T, Xie, Y, Wang, Y, Wei, X, Du, G, Zhang, H, Imam, K.M.S.U, Wichers, H.J, Li, Z. | Deposit date: | 2021-12-22 | Release date: | 2022-12-28 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.123 Å) | Cite: | Linking the thermostability of FIP-nha (Nectria haematococca) to its structural properties To Be Published
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5OA5
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![BU of 5oa5 by Molmil](/molmil-images/mine/5oa5) | CELLOBIOHYDROLASE I (CEL7A) FROM HYPOCREA JECORINA WITH IMPROVED THERMAL STABILITY | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Exoglucanase 1, GLYCEROL | Authors: | Goedegebuur, F, Hansson, H, Karkehabadi, S, Mikkelsen, N, Stahlberg, J, Sandgren, M. | Deposit date: | 2017-06-20 | Release date: | 2017-09-06 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Improving the thermal stability of cellobiohydrolase Cel7A from Hypocrea jecorina by directed evolution. J. Biol. Chem., 292, 2017
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4OQ5
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![BU of 4oq5 by Molmil](/molmil-images/mine/4oq5) | Crystal Structure of Human MCL-1 Bound to Inhibitor 4-(4-methylnaphthalen-1-yl)-2-{[(4-phenoxyphenyl)sulfonyl]amino}benzoic acid | Descriptor: | 4-(4-methylnaphthalen-1-yl)-2-{[(4-phenoxyphenyl)sulfonyl]amino}benzoic acid, Induced myeloid leukemia cell differentiation protein Mcl-1 | Authors: | Petros, A.M, Swann, S.L, Song, D, Swinger, K, Park, C, Zhang, H, Wendt, M.D, Kunzer, A.R, Souers, A.J, Sun, C. | Deposit date: | 2014-02-07 | Release date: | 2014-03-12 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (2.86 Å) | Cite: | Fragment-based discovery of potent inhibitors of the anti-apoptotic MCL-1 protein. Bioorg.Med.Chem.Lett., 24, 2014
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6J20
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![BU of 6j20 by Molmil](/molmil-images/mine/6j20) | Crystal structure of the human NK1 substance P receptor | Descriptor: | 5-[[(2~{R},3~{S})-2-[(1~{R})-1-[3,5-bis(trifluoromethyl)phenyl]ethoxy]-3-(4-fluorophenyl)morpholin-4-yl]methyl]-1,2-dihydro-1,2,4-triazol-3-one, Substance-P receptor,Endolysin | Authors: | Chen, S, Lu, M, Zhang, H, Wu, B, Zhao, Q. | Deposit date: | 2018-12-30 | Release date: | 2019-03-06 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | Human substance P receptor binding mode of the antagonist drug aprepitant by NMR and crystallography. Nat Commun, 10, 2019
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3CQT
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![BU of 3cqt by Molmil](/molmil-images/mine/3cqt) | N53I V55L MUTANT of FYN SH3 DOMAIN | Descriptor: | Proto-oncogene tyrosine-protein kinase Fyn | Authors: | Neculai, A.M, Zarrine-Afsar, A, Howell, P.L, Davidson, A, Chan, H.S. | Deposit date: | 2008-04-03 | Release date: | 2008-07-01 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Theoretical and experimental demonstration of the importance of specific nonnative interactions in protein folding. Proc.Natl.Acad.Sci.Usa, 105, 2008
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3SFV
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![BU of 3sfv by Molmil](/molmil-images/mine/3sfv) | Crystal structure of the GDP-bound Rab1a S25N mutant in complex with the coiled-coil domain of LidA from Legionella pneumophila | Descriptor: | GUANOSINE-5'-DIPHOSPHATE, LidA protein, substrate of the Dot/Icm system, ... | Authors: | Yin, K, Lu, D, Zhu, D, Zhang, H, Li, B, Xu, S, Gu, L. | Deposit date: | 2011-06-14 | Release date: | 2012-04-18 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (1.73 Å) | Cite: | Structural Insights into a Unique Legionella pneumophila Effector LidA Recognizing Both GDP and GTP Bound Rab1 in Their Active State Plos Pathog., 8, 2012
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2LYC
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![BU of 2lyc by Molmil](/molmil-images/mine/2lyc) | Structure of C-terminal domain of Ska1 | Descriptor: | Spindle and kinetochore-associated protein 1 homolog | Authors: | Boeszoermenyi, A, Schmidt, J.C, Markus, M, Oberer, M, Cheeseman, I.M, Wagner, G, Arthanari, H. | Deposit date: | 2012-09-14 | Release date: | 2012-10-24 | Last modified: | 2024-05-15 | Method: | SOLUTION NMR | Cite: | The kinetochore-bound ska1 complex tracks depolymerizing microtubules and binds to curved protofilaments. Dev.Cell, 23, 2012
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1KTG
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![BU of 1ktg by Molmil](/molmil-images/mine/1ktg) | Crystal Structure of a C. elegans Ap4A Hydrolase Binary Complex | Descriptor: | ADENOSINE MONOPHOSPHATE, Diadenosine Tetraphosphate Hydrolase, HYDROXIDE ION, ... | Authors: | Bailey, S, Sedelnikova, S.E, Blackburn, G.M, Abdelghany, H.M, Baker, P.J, McLennan, A.G, Rafferty, J.B. | Deposit date: | 2002-01-16 | Release date: | 2002-05-08 | Last modified: | 2023-08-16 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | The crystal structure of diadenosine tetraphosphate hydrolase from Caenorhabditis elegans in free and binary complex forms Structure, 10, 2002
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3SJV
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![BU of 3sjv by Molmil](/molmil-images/mine/3sjv) | Crystal structure of the RL42 TCR in complex with HLA-B8-FLR | Descriptor: | Beta-2-microglobulin, Epstein-Barr nuclear antigen 3, HLA class I histocompatibility antigen, ... | Authors: | Gras, S, Wilmann, P.G, Zhenjun, C, Hanim, H, Yu Chih, L, Kjer-Nielsen, L, Purcell, A.W, Burrows, S.R, Mccluskey, J, Rossjohn, J. | Deposit date: | 2011-06-22 | Release date: | 2012-02-29 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (3.1 Å) | Cite: | A structural basis for varied alpha-beta TCR usage against an immunodominant EBV antigen restricted to a HLA-B8 molecule. J.Immunol., 188, 2012
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3SKN
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![BU of 3skn by Molmil](/molmil-images/mine/3skn) | Crystal structure of the RL42 TCR unliganded | Descriptor: | RL42 T cell receptor, alpha chain, beta chain | Authors: | Gras, S, Wilmann, P.G, Zhenjun, C, Hanim, H, Yu Chih, L, Kjer-Nielsen, L, Purcell, A.W, Burrows, S.R, Mccluskey, J, Rossjohn, J. | Deposit date: | 2011-06-22 | Release date: | 2012-02-29 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (2.9 Å) | Cite: | A structural basis for varied alpha-beta TCR usage against an immunodominant EBV antigen restricted to a HLA-B8 molecule. J.Immunol., 188, 2012
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4OPN
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![BU of 4opn by Molmil](/molmil-images/mine/4opn) | |
1KT9
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![BU of 1kt9 by Molmil](/molmil-images/mine/1kt9) | Crystal Structure of C. elegans Ap4A Hydrolase | Descriptor: | Diadenosine Tetraphosphate Hydrolase | Authors: | Bailey, S, Sedelnikova, S.E, Blackburn, G.M, Abdelghany, H.M, Baker, P.J, McLennan, A.G, Rafferty, J.B. | Deposit date: | 2002-01-15 | Release date: | 2002-05-08 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (1.98 Å) | Cite: | The crystal structure of diadenosine tetraphosphate hydrolase from Caenorhabditis elegans in free and binary complex forms Structure, 10, 2002
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4OQ6
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![BU of 4oq6 by Molmil](/molmil-images/mine/4oq6) | Crystal Structure of Human MCL-1 Bound to Inhibitor 4-hydroxy-4'-propylbiphenyl-3-carboxylic acid | Descriptor: | 4-hydroxy-4'-propylbiphenyl-3-carboxylic acid, Induced myeloid leukemia cell differentiation protein Mcl-1 | Authors: | Petros, A.M, Swann, S.L, Song, D, Swinger, K, Park, C, Zhang, H, Wendt, M.D, Kunzer, A.R, Souers, A.J, Sun, C. | Deposit date: | 2014-02-07 | Release date: | 2014-03-12 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (1.81 Å) | Cite: | Fragment-based discovery of potent inhibitors of the anti-apoptotic MCL-1 protein. Bioorg.Med.Chem.Lett., 24, 2014
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1KCP
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![BU of 1kcp by Molmil](/molmil-images/mine/1kcp) | 3D STRUCTURE OF K-CONOTOXIN PVIIA, A NOVEL POTASSIUM CHANNEL-BLOCKING TOXIN FROM CONE SNAILS, NMR, 22 STRUCTURES | Descriptor: | KAPPA-CONOTOXIN PVIIA | Authors: | Savarin, P, Guenneugues, M, Gilquin, B, Lamthanh, H, Gasparini, S, Zinn-Justin, S, Menez, A. | Deposit date: | 1998-01-27 | Release date: | 1998-10-14 | Last modified: | 2017-11-29 | Method: | SOLUTION NMR | Cite: | Three-dimensional structure of kappa-conotoxin PVIIA, a novel potassium channel-blocking toxin from cone snails. Biochemistry, 37, 1998
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4KBZ
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![BU of 4kbz by Molmil](/molmil-images/mine/4kbz) | |