5O7P
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![BU of 5o7p by Molmil](/molmil-images/mine/5o7p) | HER3 in complex with Fab MF3178 | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, MF3178 FAB heavy chain, MF3178 FAB light chain, ... | Authors: | De Nardis, C, Gros, P. | Deposit date: | 2017-06-09 | Release date: | 2018-05-16 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (4.5 Å) | Cite: | Unbiased Combinatorial Screening Identifies a Bispecific IgG1 that Potently Inhibits HER3 Signaling via HER2-Guided Ligand Blockade. Cancer Cell, 33, 2018
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5OKD
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![BU of 5okd by Molmil](/molmil-images/mine/5okd) | Crystal structure of bovine Cytochrome bc1 in complex with inhibitor SCR0911. | Descriptor: | 1,2-DIHEXANOYL-SN-GLYCERO-3-PHOSPHOETHANOLAMINE, 1,2-DIMYRISTOYL-SN-GLYCERO-3-PHOSPHOCHOLINE, 1,2-dioleoyl-sn-glycero-3-phosphoethanolamine, ... | Authors: | Amporndanai, K, O'Neill, P.M, Hasnain, S.S, Antonyuk, S.V. | Deposit date: | 2017-07-25 | Release date: | 2018-02-28 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (3.1 Å) | Cite: | X-ray and cryo-EM structures of inhibitor-bound cytochromebc1complexes for structure-based drug discovery. IUCrJ, 5, 2018
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3QD3
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![BU of 3qd3 by Molmil](/molmil-images/mine/3qd3) | Phosphoinositide-Dependent Kinase-1 (PDK1) kinase domain with 1,1-Dimethylethyl {(3R,6S)-1-[2-amino-6-(3-amino-1H-indazol-6-yl)-4-pyrimidinyl]-6-methyl-3-piperidinyl}carbamate | Descriptor: | 3-phosphoinositide-dependent protein kinase 1, GLYCEROL, SULFATE ION, ... | Authors: | Medina, J.R, Becker, C.J, Blackledge, C.W, Duquenne, C, Feng, Y, Grant, S.W, Heerding, D, Li, W.H, Miller, W.H, Romeril, S.P, Scherzer, D, Shu, A, Bobko, M.A, Chadderton, A.R, Dumble, M, Gradiner, C.M, Gilbert, S, Liu, Q, Rabindran, S.K, Sudakin, V, Xiang, H, Brady, P.G, Campobasso, N, Ward, P, Axten, J.M. | Deposit date: | 2011-01-17 | Release date: | 2011-03-09 | Last modified: | 2011-07-13 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Structure-Based Design of Potent and Selective 3-Phosphoinositide-Dependent Kinase-1 (PDK1) Inhibitors. J.Med.Chem., 54, 2011
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5NTC
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![BU of 5ntc by Molmil](/molmil-images/mine/5ntc) | Crystal structure of mouse CARM1 in complex with inhibitor SA0678 | Descriptor: | 1,2-DIMETHOXYETHANE, 1,2-ETHANEDIOL, 1-METHOXY-2-(2-METHOXYETHOXY)ETHANE, ... | Authors: | Cura, V, Marechal, N, Mailliot, J, Troffer-Charlier, N, Hassenboehler, P, Wurtz, J.M, Bonnefond, L, Cavarelli, J. | Deposit date: | 2017-04-27 | Release date: | 2018-05-30 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (2.25 Å) | Cite: | Crystal structure of mouse CARM1 in complex with inhibitor SA0678 To Be Published
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1RQH
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![BU of 1rqh by Molmil](/molmil-images/mine/1rqh) | Propionibacterium shermanii transcarboxylase 5S subunit bound to pyruvic acid | Descriptor: | COBALT (II) ION, PYRUVIC ACID, transcarboxylase 5S subunit | Authors: | Hall, P.R, Zheng, R, Antony, L, Pusztai-Carey, M, Carey, P.R, Yee, V.C. | Deposit date: | 2003-12-05 | Release date: | 2004-09-07 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Transcarboxylase 5S structures: assembly and catalytic mechanism of a multienzyme complex subunit. Embo J., 23, 2004
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1H30
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![BU of 1h30 by Molmil](/molmil-images/mine/1h30) | C-terminal LG domain pair of human Gas6 | Descriptor: | CALCIUM ION, GROWTH-ARREST-SPECIFIC PROTEIN, SULFATE ION | Authors: | Sasaki, T, Knyazev, P.G, Cheburkin, Y, Gohring, W, Tisi, D, Ullrich, A, Timpl, R, Hohenester, E. | Deposit date: | 2002-08-21 | Release date: | 2003-01-30 | Last modified: | 2011-07-13 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Crystal Structure of a Carboxy-Terminal Fragment of Growth-Arrest-Specific Protein Gas6: Receptor Tyrosine Kinase Activation by Laminin G-Like Domains J.Biol.Chem., 277, 2002
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5OA6
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![BU of 5oa6 by Molmil](/molmil-images/mine/5oa6) | Crystal structure of ScGas2 in complex with compound 12 | Descriptor: | (2~{R},3~{S},4~{S},5~{R},6~{S})-2-(hydroxymethyl)-6-[(2~{R},3~{R},4~{S},5~{R},6~{S})-2-(hydroxymethyl)-6-[(2~{R},3~{R},4~{S},5~{R},6~{R})-2-(hydroxymethyl)-3,5-bis(oxidanyl)-6-[4-(3-quinolin-1-ium-1-ylpropyl)-1,2,3-triazol-1-yl]oxan-4-yl]oxy-3,5-bis(oxidanyl)oxan-4-yl]oxy-oxane-3,4,5-triol, 1,2-ETHANEDIOL, 1,3-beta-glucanosyltransferase GAS2, ... | Authors: | Delso, I, Valero-Gonzalez, J, Gomollon-Bel, F, Castro-Lopez, J, Fang, W, Navratilova, I, Van Aalten, D, Tejero, T, Merino, P, Hurtado-Guerrero, R. | Deposit date: | 2017-06-21 | Release date: | 2018-05-02 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.94 Å) | Cite: | Inhibitors against Fungal Cell Wall Remodeling Enzymes. ChemMedChem, 13, 2018
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5FHP
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![BU of 5fhp by Molmil](/molmil-images/mine/5fhp) | SeMet regulator of nicotine degradation | Descriptor: | GLYCEROL, MALONIC ACID, NicR | Authors: | Zhang, K, Tang, H, Wu, G, Wang, W, Hu, H, Xu, P. | Deposit date: | 2015-12-22 | Release date: | 2016-12-21 | Method: | X-RAY DIFFRACTION (2.65 Å) | Cite: | Co-crystal Structure of NicR2_Hsp To Be Published
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3IXN
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![BU of 3ixn by Molmil](/molmil-images/mine/3ixn) | |
8YQ4
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![BU of 8yq4 by Molmil](/molmil-images/mine/8yq4) | Structure of mBaoJin2 | Descriptor: | CHLORIDE ION, GLYCEROL, SULFATE ION, ... | Authors: | Boyko, K.M, Nikolaeva, A.Y, Minyaev, M.E, Kuzmicheva, T.P, Vlaskina, A.V, Popov, V.O, Pyatkevich, K.D, Subach, F.V. | Deposit date: | 2024-03-19 | Release date: | 2024-03-27 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Structure of mBaoJin2 To Be Published
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6LY5
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![BU of 6ly5 by Molmil](/molmil-images/mine/6ly5) | Organization and energy transfer in a huge diatom PSI-FCPI supercomplex | Descriptor: | (3S,3'R,5R,6S,7cis)-7',8'-didehydro-5,6-dihydro-5,6-epoxy-beta,beta-carotene-3,3'-diol, (3S,3'S,5R,5'R,6S,6'R,8'R)-3,5'-dihydroxy-8-oxo-6',7'-didehydro-5,5',6,6',7,8-hexahydro-5,6-epoxy-beta,beta-caroten-3'- yl acetate, 1,2-DI-O-ACYL-3-O-[6-DEOXY-6-SULFO-ALPHA-D-GLUCOPYRANOSYL]-SN-GLYCEROL, ... | Authors: | Xiong, P, Caizhe, X. | Deposit date: | 2020-02-13 | Release date: | 2020-10-21 | Method: | ELECTRON MICROSCOPY (2.38 Å) | Cite: | Structural basis for energy transfer in a huge diatom PSI-FCPI supercomplex. Nat Commun, 11, 2020
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3IYP
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![BU of 3iyp by Molmil](/molmil-images/mine/3iyp) | The Interaction of Decay-accelerating Factor with Echovirus 7 | Descriptor: | Capsid protein, Complement decay-accelerating factor, LAURIC ACID, ... | Authors: | Plevka, P, Hafenstein, S, Zhang, Y, Harris, K.G, Cifuente, J.O, Bowman, V.D, Chipman, P.R, Lin, F, Medof, D.E, Bator, C.M, Rossmann, M.G. | Deposit date: | 2010-04-07 | Release date: | 2010-11-24 | Last modified: | 2024-01-31 | Method: | ELECTRON MICROSCOPY (7.2 Å) | Cite: | Interaction of decay-accelerating factor with echovirus 7. J.Virol., 84, 2010
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8BEG
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![BU of 8beg by Molmil](/molmil-images/mine/8beg) | Structure of Ig-like domains from PrgB | Descriptor: | MAGNESIUM ION, PrgB | Authors: | Jarva, M, Schmitt, A, Berntsson, R.P.-A. | Deposit date: | 2022-10-21 | Release date: | 2022-11-30 | Last modified: | 2024-05-01 | Method: | X-RAY DIFFRACTION (1.84 Å) | Cite: | Structural foundation for the role of enterococcal PrgB in conjugation, biofilm formation, and virulence. Elife, 12, 2023
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3QGA
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7X4T
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![BU of 7x4t by Molmil](/molmil-images/mine/7x4t) | LpCdnE UMPNPP Mg complex | Descriptor: | 5'-O-[(S)-hydroxy{[(S)-hydroxy(phosphonooxy)phosphoryl]amino}phosphoryl]uridine, Cyclic dipyrimidine nucleotide synthase, GLYCEROL, ... | Authors: | Chen, Y, Ko, T.P, Yang, C.S, Wang, Y.C, Hou, M.H. | Deposit date: | 2022-03-03 | Release date: | 2023-03-08 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Crystal structure and functional implications of cyclic di-pyrimidine-synthesizing cGAS/DncV-like nucleotidyltransferases. Nat Commun, 14, 2023
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5VGV
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![BU of 5vgv by Molmil](/molmil-images/mine/5vgv) | |
2WIN
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![BU of 2win by Molmil](/molmil-images/mine/2win) | C3 convertase (C3bBb) stabilized by SCIN | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, COMPLEMENT C3 BETA CHAIN, ... | Authors: | Wu, J, Janssen, B.J, Gros, P. | Deposit date: | 2009-05-13 | Release date: | 2009-06-09 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (3.9 Å) | Cite: | Structural and functional implications of the alternative complement pathway C3 convertase stabilized by a staphylococcal inhibitor. Nat. Immunol., 10, 2009
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1PL0
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![BU of 1pl0 by Molmil](/molmil-images/mine/1pl0) | Crystal structure of human ATIC in complex with folate-based inhibitor, BW2315U89UC | Descriptor: | AMINOIMIDAZOLE 4-CARBOXAMIDE RIBONUCLEOTIDE, Bifunctional purine biosynthesis protein PURH, N-(4-{[(2-AMINO-4-OXO-3,4-DIHYDROQUINAZOLIN-6-YL)AMINO]SULFONYL}BENZOYL)GLUTAMIC ACID, ... | Authors: | Cheong, C.G, Greasley, S.E, Horton, P.A, Beardsley, G.P, Wilson, I.A. | Deposit date: | 2003-06-06 | Release date: | 2004-04-27 | Last modified: | 2023-08-16 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | Crystal Structures of Human Bifunctional Enzyme Aminoimidazole-4-carboxamide Ribonucleotide Transformylase/IMP Cyclohydrolase in Complex with Potent Sulfonyl-containing Antifolates. J.Biol.Chem., 279, 2004
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5NTT
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![BU of 5ntt by Molmil](/molmil-images/mine/5ntt) | Crystal structure of human Mps1 (TTK) C604Y mutant in complex with NMS-P715 | Descriptor: | 1,2-ETHANEDIOL, Dual specificity protein kinase TTK, N-(2,6-DIETHYLPHENYL)-1-METHYL-8-({4-[(1-METHYLPIPERIDIN-4-YL)CARBAMOYL]-2-(TRIFLUOROMETHOXY)PHENYL}AMINO)-4,5-DIHYDRO-1H-PYRAZOLO[4,3-H]QUINAZOLINE-3-CARBOXAMIDE | Authors: | Hiruma, Y, Joosten, R.P, Perrakis, A. | Deposit date: | 2017-04-28 | Release date: | 2017-07-26 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (2.75 Å) | Cite: | Understanding inhibitor resistance in Mps1 kinase through novel biophysical assays and structures. J. Biol. Chem., 292, 2017
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3U7U
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![BU of 3u7u by Molmil](/molmil-images/mine/3u7u) | Crystal structure of extracellular region of human epidermal growth factor receptor 4 in complex with neuregulin-1 beta | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Neuregulin 1, Receptor tyrosine-protein kinase erbB-4 | Authors: | Liu, P, Cleveland IV, T.E, Bouyain, S, Longo, P.A, Leahy, D.J. | Deposit date: | 2011-10-14 | Release date: | 2012-08-29 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (3.03 Å) | Cite: | A single ligand is sufficient to activate EGFR dimers. Proc.Natl.Acad.Sci.USA, 109, 2012
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5NZ0
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![BU of 5nz0 by Molmil](/molmil-images/mine/5nz0) | Structure of Transcriptional Regulatory Repressor Protein - EthR from Mycobacterium Tuberculosis in complex with linezolid | Descriptor: | 1,2-ETHANEDIOL, HTH-type transcriptional regulator EthR, N-{[(5S)-3-(3-fluoro-4-morpholin-4-ylphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl}acetamide | Authors: | Blaszczyk, M, Mendes, V, Nikiforov, P.O, Blundell, T.L. | Deposit date: | 2017-05-12 | Release date: | 2018-05-30 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.825 Å) | Cite: | The antibiotics linezolid and sutezolid are ligands for Mycobacterium tuberculosis EthR To Be Published
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4WQN
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![BU of 4wqn by Molmil](/molmil-images/mine/4wqn) | Crystal structure of N6-methyladenosine RNA reader YTHDF2 | Descriptor: | 1,2-ETHANEDIOL, GLYCEROL, YTH domain-containing family protein 2 | Authors: | Zhu, T, Roundtree, I.A, Wang, P, Wang, X, Wang, L, Sun, C, Tian, Y, Li, J, He, C, Xu, Y. | Deposit date: | 2014-10-22 | Release date: | 2014-11-19 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (2.121 Å) | Cite: | Crystal structure of the YTH domain of YTHDF2 reveals mechanism for recognition of N6-methyladenosine. Cell Res., 24, 2014
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6NLZ
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![BU of 6nlz by Molmil](/molmil-images/mine/6nlz) | Crystal structure of Mycobacterium tuberculosis dethiobiotin synthetase in complex with fragment degradation product B9D | Descriptor: | ATP-dependent dethiobiotin synthetase BioD, SULFATE ION, [(1R,2S)-2-(2-hydroxybenzene-1-carbonyl)cyclopentyl]acetic acid, ... | Authors: | Thompson, A.P, Polyak, S.W, Wegener, K.L, Bruning, J.B. | Deposit date: | 2019-01-10 | Release date: | 2020-01-15 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Crystal structure of Mycobacterium tuberculosis dethiobiotin synthetase in complex with fragment degradation product B9D To Be Published
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1PXL
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![BU of 1pxl by Molmil](/molmil-images/mine/1pxl) | HUMAN CYCLIN DEPENDENT KINASE 2 COMPLEXED WITH THE INHIBITOR [4-(2,4-Dimethyl-thiazol-5-yl)-pyrimidin-2-yl]-(4-trifluoromethyl-phenyl)-amine | Descriptor: | 4-(2,4-DIMETHYL-1,3-THIAZOL-5-YL)-N-[4-(TRIFLUOROMETHYL)PHENYL]PYRIMIDIN-2-AMINE, Cell division protein kinase 2 | Authors: | Wu, S.Y, McNae, I, Kontopidis, G, McClue, S.J, McInnes, C, Stewart, K.J, Wang, S, Zheleva, D.I, Marriage, H, Lane, D.P, Taylor, P, Fischer, P.M, Walkinshaw, M.D. | Deposit date: | 2003-07-04 | Release date: | 2003-12-09 | Last modified: | 2023-08-16 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Discovery of a novel family of CDK inhibitors with the program LIDAEUS: structural basis for ligand-induced disordering of the activation loop Structure, 11, 2003
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8XOJ
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![BU of 8xoj by Molmil](/molmil-images/mine/8xoj) | Cryo-EM structure of GPR30-Gq complex structure in the presence of G-1 | Descriptor: | G-protein coupled estrogen receptor 1, 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, ... | Authors: | Liu, H, Xu, P, Xu, H.E. | Deposit date: | 2024-01-01 | Release date: | 2024-04-10 | Last modified: | 2024-07-10 | Method: | ELECTRON MICROSCOPY (3.1 Å) | Cite: | Structural and functional evidence that GPR30 is not a direct estrogen receptor. Cell Res., 34, 2024
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