4UMX
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![BU of 4umx by Molmil](/molmil-images/mine/4umx) | IDH1 R132H in complex with cpd 1 | Descriptor: | 2,6-bis(1H-imidazol-1-ylmethyl)-4-(2,4,4-trimethylpentan-2-yl)phenol, GLYCEROL, ISOCITRATE DEHYDROGENASE [NADP] CYTOPLASMIC, ... | Authors: | Mathieu, M, Marquette, J.P. | Deposit date: | 2014-05-22 | Release date: | 2014-11-19 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.88 Å) | Cite: | Selective Inhibition of Mutant Isocitrate Dehydrogenase 1 (Idh1) Via Disruption of a Metal Binding Network by an Allosteric Small Molecule. J.Biol.Chem., 290, 2015
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4UOP
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![BU of 4uop by Molmil](/molmil-images/mine/4uop) | Crystal structure of the lipoteichoic acid synthase LtaP from Listeria monocytogenes | Descriptor: | CHLORIDE ION, LIPOTEICHOIC ACID PRIMASE, MAGNESIUM ION, ... | Authors: | Campeotto, I, Freemont, P, Grundling, A. | Deposit date: | 2014-06-06 | Release date: | 2014-08-27 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.75 Å) | Cite: | Structural and mechanistic insight into the Listeria monocytogenes two-enzyme lipoteichoic acid synthesis system. J. Biol. Chem., 289, 2014
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4UEE
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![BU of 4uee by Molmil](/molmil-images/mine/4uee) | Crystal structure of the human CARBOXYPEPTIDASE A1 in complex with the PHOSPHINIC INHIBITOR Acetyl-Leu-Ala-Y(PO2CH2)-homoPhe-OH | Descriptor: | (2S)-2-{[(R)-{(1R)-1-[(N-acetyl-L-leucyl)amino]ethyl}(hydroxy)phosphoryl]methyl}-4-phenylbutanoic acid, CARBOXYPEPTIDASE A1, ZINC ION | Authors: | Gallego, P, Covaleda, G, Costenaro, L, Devel, L, Dive, V, Aviles, F.X, Reverter, D. | Deposit date: | 2014-12-17 | Release date: | 2016-01-20 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.27 Å) | Cite: | Crystal Structure of the Human Carboxypeptidase A1 in Complex with Phosphinic Inhibitors To be Published
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4UEZ
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![BU of 4uez by Molmil](/molmil-images/mine/4uez) | Crystal structure of the human CARBOXYPEPTIDASE A1 in complex with the PHOSPHINIC INHIBITOR Acetyl-Leu-Phe-Y(PO2CH2)-Phe-OH | Descriptor: | (2S)-3-[(R)-{(1R)-1-[(N-acetyl-L-leucyl)amino]-2-phenylethyl}(hydroxy)phosphoryl]-2-benzylpropanoic acid, HUMAN CARBOXYPEPTIDASE A1, ZINC ION | Authors: | Gallego, P, Covaleda, G, Costenaro, L, Devel, L, Dive, V, Aviles, F.X, Reverter, D. | Deposit date: | 2014-12-22 | Release date: | 2016-01-20 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.29 Å) | Cite: | Crystal Structure of the Human Carboxypeptidase A1 in Complex with Phosphinic Inhibitors To be Published
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4UNT
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![BU of 4unt by Molmil](/molmil-images/mine/4unt) | Induced monomer of the Mcg variable domain | Descriptor: | IG LAMBDA CHAIN V-II REGION MGC, SULFATE ION | Authors: | Brumshtein, B, Esswein, S.R, Landau, M, Ryan, C.M, Whitelegge, J.P, Phillips, M.L, Cascio, D, Sawaya, M.R, Eisenberg, D.S. | Deposit date: | 2014-05-30 | Release date: | 2014-08-27 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | Formation of Amyloid Fibers by Monomeric Light-Chain Variable Domains. J.Biol.Chem., 289, 2014
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4UIR
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![BU of 4uir by Molmil](/molmil-images/mine/4uir) | Structure of oleate hydratase from Elizabethkingia meningoseptica | Descriptor: | FLAVIN-ADENINE DINUCLEOTIDE, HEXAETHYLENE GLYCOL, OLEATE HYDRATASE, ... | Authors: | Pavkov-Keller, T, Hromic, A, Engleder, M, Emmerstorfer, A, Steinkellner, G, Schrempf, S, Wriessnegger, T, Leitner, E, Strohmeier, G.A, Kaluzna, I, Mink, D, Schuermann, M, Wallner, S, Macheroux, P, Pichler, H, Gruber, K. | Deposit date: | 2015-04-02 | Release date: | 2015-07-01 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.75 Å) | Cite: | Structure-Based Mechanism of Oleate Hydratase from Elizabethkingia Meningoseptica. Chembiochem, 16, 2015
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4UN0
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![BU of 4un0 by Molmil](/molmil-images/mine/4un0) | Crystal structure of the human CDK12-cyclinK complex | Descriptor: | CYCLIN-DEPENDENT KINASE 12, CYCLIN-K | Authors: | Dixon Clarke, S.E, Elkins, J.M, Pike, A.C.W, Chaikuad, A, Goubin, S, Krojer, T, Sorrell, F.J, Nowak, R, Williams, E, Kopec, J, Mahajan, R.P, Burgess-Brown, N, Carpenter, E.P, Knapp, S, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Bullock, A. | Deposit date: | 2014-05-22 | Release date: | 2014-06-04 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (3.15 Å) | Cite: | Structures of the Cdk12/Cyck Complex with AMP-Pnp Reveal a Flexible C-Terminal Kinase Extension Important for ATP Binding. Sci.Rep., 5, 2015
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4UHT
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4WCC
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![BU of 4wcc by Molmil](/molmil-images/mine/4wcc) | Catalytic domain of mouse 2',3'-cyclic nucleotide 3'- phosphodiesterase, with mutation P225G | Descriptor: | 2',3'-cyclic-nucleotide 3'-phosphodiesterase, ADENOSINE-2'-MONOPHOSPHATE, CHLORIDE ION | Authors: | Myllykoski, M, Raasakka, A, Kursula, P. | Deposit date: | 2014-09-04 | Release date: | 2015-09-23 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | Determinants of ligand binding and catalytic activity in the myelin enzyme 2',3'-cyclic nucleotide 3'-phosphodiesterase. Sci Rep, 5, 2015
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4WDB
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![BU of 4wdb by Molmil](/molmil-images/mine/4wdb) | Catalytic domain of mouse 2',3'-cyclic nucleotide 3'- phosphodiesterase, with mutation R307Q, complexed with 2'-AMP | Descriptor: | 2',3'-cyclic-nucleotide 3'-phosphodiesterase, ADENOSINE-2'-MONOPHOSPHATE, CHLORIDE ION | Authors: | Myllykoski, M, Raasakka, A, Kursula, P. | Deposit date: | 2014-09-08 | Release date: | 2015-09-23 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Determinants of ligand binding and catalytic activity in the myelin enzyme 2',3'-cyclic nucleotide 3'-phosphodiesterase. Sci Rep, 5, 2015
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4UQJ
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![BU of 4uqj by Molmil](/molmil-images/mine/4uqj) | Cryo-EM density map of GluA2em in complex with ZK200775 | Descriptor: | GLUTAMATE RECEPTOR 2, {[7-morpholin-4-yl-2,3-dioxo-6-(trifluoromethyl)-3,4-dihydroquinoxalin-1(2H)-yl]methyl}phosphonic acid | Authors: | Meyerson, J.R, Kumar, J, Chittori, S, Rao, P, Pierson, J, Bartesaghi, A, Mayer, M.L, Subramaniam, S. | Deposit date: | 2014-06-24 | Release date: | 2014-08-13 | Last modified: | 2017-08-02 | Method: | ELECTRON MICROSCOPY (10.4 Å) | Cite: | Structural Mechanism of Glutamate Receptor Activation and Desensitization Nature, 514, 2014
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4UUP
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![BU of 4uup by Molmil](/molmil-images/mine/4uup) | Reconstructed ancestral trichomonad malate dehydrogenase in complex with NADH, SO4, and PO4 | Descriptor: | 1,4-DIHYDRONICOTINAMIDE ADENINE DINUCLEOTIDE, MALATE DEHYDROGENASE, PHOSPHATE ION, ... | Authors: | Steindel, P.A, Chen, E.H, Theobald, D.L. | Deposit date: | 2014-07-29 | Release date: | 2015-08-12 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.543 Å) | Cite: | Gradual Neofunctionalization in the Convergent Evolution of Trichomonad Lactate and Malate Dehydrogenases. Protein Sci., 25, 2016
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4UQZ
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![BU of 4uqz by Molmil](/molmil-images/mine/4uqz) | Coevolution of the ATPase ClpV, the TssB-TssC Sheath and the Accessory HsiE Protein Distinguishes Two Type VI Secretion Classes | Descriptor: | ACETATE ION, HSIB1, HSIE1 | Authors: | Forster, A, Planamente, S, Manoli, E, Lossi, N.S, Freemont, P.S, Filloux, A. | Deposit date: | 2014-06-25 | Release date: | 2014-10-22 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.599 Å) | Cite: | Coevolution of the ATPase Clpv, the Sheath Proteins Tssb and Tssc and the Accessory Protein Tagj/Hsie1 Distinguishes Type Vi Secretion Classes. RNA, 20, 2014
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4V0G
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![BU of 4v0g by Molmil](/molmil-images/mine/4v0g) | JAK3 in complex with a covalent EGFR inhibitor | Descriptor: | N-[3-(2-{3-amino-6-[1-(1-methylpiperidin-4-yl)-1H-pyrazol-4-yl]pyrazin-2-yl}-1H-benzimidazol-1-yl)phenyl]propanamide, TYROSINE-PROTEIN KINASE JAK3 | Authors: | Debreczeni, J.E, Hennessy, E.J, Chuaquini, C, Ashton, S, Coclough, N, Cross, D.A.E, Eberlein, C, Gingipalli, L, Klinowska, T.C.M, Orme, J.P, Sha, L, Wu, X. | Deposit date: | 2014-09-16 | Release date: | 2016-01-13 | Method: | X-RAY DIFFRACTION (3 Å) | Cite: | Utilisation of Structure Based Design to Identify Novel, Irreversible Inhibitors of the Epidermal Growth Factor Receptor (Egfr) Harboring the Gatekeeper T790M Mutation To be Published
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1MFM
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![BU of 1mfm by Molmil](/molmil-images/mine/1mfm) | MONOMERIC HUMAN SOD MUTANT F50E/G51E/E133Q AT ATOMIC RESOLUTION | Descriptor: | CADMIUM ION, CHLORIDE ION, COPPER (II) ION, ... | Authors: | Ferraroni, M, Rypniewski, W, Wilson, K.S, Orioli, P.L, Viezzoli, M.S, Banci, L, Bertini, I, Mangani, S. | Deposit date: | 1999-04-16 | Release date: | 1999-04-21 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (1.02 Å) | Cite: | The crystal structure of the monomeric human SOD mutant F50E/G51E/E133Q at atomic resolution. The enzyme mechanism revisited. J.Mol.Biol., 288, 1999
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8EG4
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![BU of 8eg4 by Molmil](/molmil-images/mine/8eg4) | [iU:Ag+:iU] Metal-mediated DNA base pair in a self-assembling rhombohedral lattice | Descriptor: | DNA (5'-D(*GP*AP*GP*CP*AP*GP*CP*CP*TP*GP*TP*(5IU)P*TP*GP*GP*AP*CP*AP*TP*CP*A)-3'), DNA (5'-D(P*CP*CP*AP*(5IU)P*AP*CP*A*(AG))-3'), DNA (5'-D(P*CP*TP*GP*AP*TP*GP*T)-3'), ... | Authors: | Vecchioni, S, Lu, B, Seeman, N.C, Sha, R, Ohayon, Y.P. | Deposit date: | 2022-09-10 | Release date: | 2023-04-05 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (4.18 Å) | Cite: | Metal-Mediated DNA Nanotechnology in 3D: Structural Library by Templated Diffraction. Adv Mater, 35, 2023
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4FNH
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![BU of 4fnh by Molmil](/molmil-images/mine/4fnh) | Crystal structure of IsdI-W66Y in complex with heme | Descriptor: | Heme-degrading monooxygenase isdI, PROTOPORPHYRIN IX CONTAINING FE | Authors: | Ukpabi, G.N, Murphy, M.E.P. | Deposit date: | 2012-06-19 | Release date: | 2012-08-22 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Inactivation of the heme degrading enzyme IsdI by an active site substitution that diminishes heme ruffling. J.Biol.Chem., 287, 2012
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8EVE
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![BU of 8eve by Molmil](/molmil-images/mine/8eve) | HUMAN DNA POLYMERASE ETA INSERTION COMPLEX | Descriptor: | 1,2-ETHANEDIOL, CALCIUM ION, DI(HYDROXYETHYL)ETHER, ... | Authors: | Pallan, P.S, Egli, M. | Deposit date: | 2022-10-20 | Release date: | 2023-08-02 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (2.35 Å) | Cite: | The peroxidation-derived DNA adduct, 6-oxo-M 1 dG, is a strong block to replication by human DNA polymerase eta. J.Biol.Chem., 299, 2023
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7ONU
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![BU of 7onu by Molmil](/molmil-images/mine/7onu) | Structure of human mitochondrial RNase P in complex with mitochondrial pre-tRNA-Tyr | Descriptor: | 3-hydroxyacyl-CoA dehydrogenase type-2, MAGNESIUM ION, Mitochondrial Precursor tRNA-Tyr, ... | Authors: | Bhatta, A, Dienemann, C, Cramer, P, Hillen, H.S. | Deposit date: | 2021-05-26 | Release date: | 2021-08-11 | Last modified: | 2024-07-10 | Method: | ELECTRON MICROSCOPY (3 Å) | Cite: | Structural basis of RNA processing by human mitochondrial RNase P. Nat.Struct.Mol.Biol., 28, 2021
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6KEA
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![BU of 6kea by Molmil](/molmil-images/mine/6kea) | crystal structure of MBP-tagged REV7-IpaB complex | Descriptor: | Maltose-binding periplasmic protein,LINKER,hREV7,LINKER,Invasin IpaB,hREV3 | Authors: | Wang, X, Pernicone, N, Pertz, L, Hua, D.P, Zhang, T.Q, Listovsky, T, Xie, W. | Deposit date: | 2019-07-04 | Release date: | 2019-09-11 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2.35 Å) | Cite: | REV7 has a dynamic adaptor region to accommodate small GTPase RAN/ShigellaIpaB ligands, and its activity is regulated by the RanGTP/GDP switch. J.Biol.Chem., 294, 2019
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8DQG
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![BU of 8dqg by Molmil](/molmil-images/mine/8dqg) | Crystal structure of pyrrolysyl-tRNA synthetase from Methanomethylophilus alvus engineered for acridone amino acid (RS1) bound to AMPPNP and acridone | Descriptor: | (2~{S})-2-azanyl-3-(9-oxidanylidene-10~{H}-acridin-2-yl)propanoic acid, AA_TRNA_LIGASE_II domain-containing protein, DI(HYDROXYETHYL)ETHER, ... | Authors: | Gottfried-Lee, I, Karplus, P.A, Mehl, R.A, Cooley, R.B. | Deposit date: | 2022-07-19 | Release date: | 2022-12-07 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (1.49 Å) | Cite: | Structures of Methanomethylophilus alvus Pyrrolysine tRNA-Synthetases Support the Need for De Novo Selections When Altering the Substrate Specificity. Acs Chem.Biol., 17, 2022
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8DQI
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![BU of 8dqi by Molmil](/molmil-images/mine/8dqi) | Crystal structure of pyrrolysyl-tRNA synthetase from Methanomethylophilus alvus engineered for acridone amino acid (RS1) bound to ATP and acridone after 2- weeks of crystal growth | Descriptor: | (2~{S})-2-azanyl-3-(9-oxidanylidene-10~{H}-acridin-2-yl)propanoic acid, AA_TRNA_LIGASE_II domain-containing protein, ADENOSINE-5'-TRIPHOSPHATE, ... | Authors: | Gottfried-Lee, I, Karplus, P.A, Mehl, R.A, Cooley, R.B. | Deposit date: | 2022-07-19 | Release date: | 2022-12-07 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (1.54 Å) | Cite: | Structures of Methanomethylophilus alvus Pyrrolysine tRNA-Synthetases Support the Need for De Novo Selections When Altering the Substrate Specificity. Acs Chem.Biol., 17, 2022
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8DQH
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![BU of 8dqh by Molmil](/molmil-images/mine/8dqh) | Crystal structure of pyrrolysyl-tRNA synthetase from Methanomethylophilus alvus engineered for acridone amino acid (RS1) bound to ATP and acridone after 24 hours of crystal growth | Descriptor: | (2~{S})-2-azanyl-3-(9-oxidanylidene-10~{H}-acridin-2-yl)propanoic acid, AA_TRNA_LIGASE_II domain-containing protein, ADENOSINE-5'-TRIPHOSPHATE, ... | Authors: | Gottfried-Lee, I, Karplus, P.A, Mehl, R.A, Cooley, R.B. | Deposit date: | 2022-07-19 | Release date: | 2022-12-07 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (1.52 Å) | Cite: | Structures of Methanomethylophilus alvus Pyrrolysine tRNA-Synthetases Support the Need for De Novo Selections When Altering the Substrate Specificity. Acs Chem.Biol., 17, 2022
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3UDW
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![BU of 3udw by Molmil](/molmil-images/mine/3udw) | Crystal structure of the immunoreceptor TIGIT in complex with Poliovirus receptor (PVR/CD155/necl-5) D1 domain | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Poliovirus receptor, T cell immunoreceptor with Ig and ITIM domains | Authors: | Rouge, L, Stengel, K.F, Yin, J.P, Bazan, F.J, Wiesmann, C. | Deposit date: | 2011-10-28 | Release date: | 2012-03-14 | Last modified: | 2020-07-29 | Method: | X-RAY DIFFRACTION (2.903 Å) | Cite: | Structure of TIGIT immunoreceptor bound to poliovirus receptor reveals a cell-cell adhesion and signaling mechanism that requires cis-trans receptor clustering. Proc.Natl.Acad.Sci.USA, 109, 2012
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6JZ7
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![BU of 6jz7 by Molmil](/molmil-images/mine/6jz7) | |