6F11
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![BU of 6f11 by Molmil](/molmil-images/mine/6f11) | GLIC mutant D86A | Descriptor: | ACETATE ION, CHLORIDE ION, DIUNDECYL PHOSPHATIDYL CHOLINE, ... | Authors: | Hu, H.D, Delarue, M. | Deposit date: | 2017-11-21 | Release date: | 2018-01-10 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (2.95 Å) | Cite: | Full mutational mapping of titratable residues helps to identify proton-sensors involved in the control of channel gating in the Gloeobacter violaceus pentameric ligand-gated ion channel. PLoS Biol., 15, 2017
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6F0I
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![BU of 6f0i by Molmil](/molmil-images/mine/6f0i) | GLIC mutant E26A | Descriptor: | ACETATE ION, CHLORIDE ION, DIUNDECYL PHOSPHATIDYL CHOLINE, ... | Authors: | Hu, H.D, Delarue, M. | Deposit date: | 2017-11-20 | Release date: | 2018-01-10 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (3 Å) | Cite: | Full mutational mapping of titratable residues helps to identify proton-sensors involved in the control of channel gating in the Gloeobacter violaceus pentameric ligand-gated ion channel. PLoS Biol., 15, 2017
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1PW2
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![BU of 1pw2 by Molmil](/molmil-images/mine/1pw2) | APO STRUCTURE OF HUMAN CYCLIN-DEPENDENT KINASE 2 | Descriptor: | 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: | 2003-06-30 | Release date: | 2003-12-09 | Last modified: | 2023-08-16 | Method: | X-RAY DIFFRACTION (1.95 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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3D5V
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![BU of 3d5v by Molmil](/molmil-images/mine/3d5v) | |
8G05
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![BU of 8g05 by Molmil](/molmil-images/mine/8g05) | Cryo-EM structure of an orphan GPCR-Gi protein signaling complex | Descriptor: | 6-(octylamino)pyrimidine-2,4(3H,5H)-dione, CHOLESTEROL, G-protein coupled receptor 84, ... | Authors: | Zhang, X, Wang, Y.J, Li, X, Liu, G.B, Gong, W.M, Zhang, C. | Deposit date: | 2023-01-31 | Release date: | 2023-11-01 | Method: | ELECTRON MICROSCOPY (3 Å) | Cite: | Pro-phagocytic function and structural basis of GPR84 signaling. Nat Commun, 14, 2023
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6F0J
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![BU of 6f0j by Molmil](/molmil-images/mine/6f0j) | GLIC mutant E26A | Descriptor: | ACETATE ION, CHLORIDE ION, DIUNDECYL PHOSPHATIDYL CHOLINE, ... | Authors: | Hu, H.D, Delarue, M. | Deposit date: | 2017-11-20 | Release date: | 2018-01-10 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (3.15 Å) | Cite: | Full mutational mapping of titratable residues helps to identify proton-sensors involved in the control of channel gating in the Gloeobacter violaceus pentameric ligand-gated ion channel. PLoS Biol., 15, 2017
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6F13
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![BU of 6f13 by Molmil](/molmil-images/mine/6f13) | GLIC mutant E75A | Descriptor: | ACETATE ION, CHLORIDE ION, DIUNDECYL PHOSPHATIDYL CHOLINE, ... | Authors: | Hu, H.D, Delarue, M. | Deposit date: | 2017-11-21 | Release date: | 2018-01-10 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | Full mutational mapping of titratable residues helps to identify proton-sensors involved in the control of channel gating in the Gloeobacter violaceus pentameric ligand-gated ion channel. PLoS Biol., 15, 2017
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4MLP
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![BU of 4mlp by Molmil](/molmil-images/mine/4mlp) | |
1R1V
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![BU of 1r1v by Molmil](/molmil-images/mine/1r1v) | Crystal structure of the metal-sensing transcriptional repressor CzrA from Staphylococcus aureus in the Zn2-form | Descriptor: | ZINC ION, repressor protein | Authors: | Eicken, C, Pennella, M.A, Chen, X, Koshlap, K.M, VanZile, M.L, Sacchettini, J.C, Giedroc, D.P. | Deposit date: | 2003-09-25 | Release date: | 2004-05-18 | Last modified: | 2023-08-23 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | A metal-ligand-mediated intersubunit allosteric switch in related SmtB/ArsR zinc sensor proteins. J.Mol.Biol., 333, 2003
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1R22
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![BU of 1r22 by Molmil](/molmil-images/mine/1r22) | Crystal structure of the cyanobacterial metallothionein repressor SmtB (C14S/C61S/C121S mutant) in the Zn2alpha5-form | Descriptor: | Transcriptional repressor smtB, ZINC ION | Authors: | Eicken, C, Pennella, M.A, Chen, X, Koshlap, K.M, VanZile, M.L, Sacchettini, J.C, Giedroc, D.P. | Deposit date: | 2003-09-25 | Release date: | 2004-05-18 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | A metal-ligand-mediated intersubunit allosteric switch in related SmtB/ArsR zinc sensor proteins. J.Mol.Biol., 333, 2003
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7BU0
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![BU of 7bu0 by Molmil](/molmil-images/mine/7bu0) | |
3D5U
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![BU of 3d5u by Molmil](/molmil-images/mine/3d5u) | |
6HKZ
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![BU of 6hkz by Molmil](/molmil-images/mine/6hkz) | X-ray structure of human glutamate carboxypeptidase II (GCPII) in complex with a inhibitor RNA 2-49-1 | Descriptor: | (2~{S})-2-[[(2~{S})-6-[2-[(6-fluoranylpyridin-3-yl)carbonylamino]ethyl-phenyl-amino]-1-oxidanyl-1,6-bis(oxidanylidene)hexan-2-yl]carbamoylamino]pentanedioic acid, 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, ... | Authors: | Motlova, L, Novakova, Z, Barinka, C. | Deposit date: | 2018-09-09 | Release date: | 2018-12-05 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (2.09 Å) | Cite: | 2-Aminoadipic Acid-C(O)-Glutamate Based Prostate-Specific Membrane Antigen Ligands for Potential Use as Theranostics. ACS Med Chem Lett, 9, 2018
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6H7Y
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![BU of 6h7y by Molmil](/molmil-images/mine/6h7y) | X-ray structure of human glutamate carboxypeptidase II (GCPII) in complex with a inhibitor RNA 1-79-1 | Descriptor: | (2~{S})-2-[[(2~{S})-6-[(4-fluorophenyl)amino]-1-oxidanyl-1,6-bis(oxidanylidene)hexan-2-yl]carbamoylamino]pentanedioic acid, 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, ... | Authors: | Motlova, L, Novakova, Z, Barinka, C. | Deposit date: | 2018-07-31 | Release date: | 2018-12-05 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.81 Å) | Cite: | 2-Aminoadipic Acid-C(O)-Glutamate Based Prostate-Specific Membrane Antigen Ligands for Potential Use as Theranostics. ACS Med Chem Lett, 9, 2018
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6ZB0
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![BU of 6zb0 by Molmil](/molmil-images/mine/6zb0) | |
6MU1
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![BU of 6mu1 by Molmil](/molmil-images/mine/6mu1) | Structure of full-length IP3R1 channel bound with Adenophostin A | Descriptor: | Adenophostin A, Inositol 1,4,5-trisphosphate receptor type 1 | Authors: | Serysheva, I.I, Fan, G, Baker, M.R, Wang, Z, Seryshev, A, Ludtke, S.J, Baker, M.L. | Deposit date: | 2018-10-22 | Release date: | 2018-12-05 | Last modified: | 2019-11-27 | Method: | ELECTRON MICROSCOPY (4.1 Å) | Cite: | Cryo-EM reveals ligand induced allostery underlying InsP3R channel gating. Cell Res., 28, 2018
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6ZB1
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![BU of 6zb1 by Molmil](/molmil-images/mine/6zb1) | C-TERMINAL BROMODOMAIN OF HUMAN BRD2 WITH GSK620 | Descriptor: | 1,2-ETHANEDIOL, Bromodomain-containing protein 2, ~{N}5-cyclopropyl-~{N}3-methyl-2-oxidanylidene-1-(phenylmethyl)pyridine-3,5-dicarboxamide | Authors: | Chung, C. | Deposit date: | 2020-06-06 | Release date: | 2020-08-05 | Last modified: | 2024-05-01 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | The Optimization of a Novel, Weak Bromo and Extra Terminal Domain (BET) Bromodomain Fragment Ligand to a Potent and Selective Second Bromodomain (BD2) Inhibitor. J.Med.Chem., 63, 2020
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6ZB2
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![BU of 6zb2 by Molmil](/molmil-images/mine/6zb2) | C-TERMINAL BROMODOMAIN OF HUMAN BRD2 WITH GSK549 | Descriptor: | 1,2-ETHANEDIOL, Bromodomain-containing protein 2, DI(HYDROXYETHYL)ETHER, ... | Authors: | Chung, C. | Deposit date: | 2020-06-06 | Release date: | 2020-08-05 | Last modified: | 2024-05-01 | Method: | X-RAY DIFFRACTION (2.282 Å) | Cite: | The Optimization of a Novel, Weak Bromo and Extra Terminal Domain (BET) Bromodomain Fragment Ligand to a Potent and Selective Second Bromodomain (BD2) Inhibitor. J.Med.Chem., 63, 2020
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6HKJ
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![BU of 6hkj by Molmil](/molmil-images/mine/6hkj) | X-ray structure of human glutamate carboxypeptidase II (GCPII) in complex with a inhibitor RNA 2-19-1 | Descriptor: | (2~{S})-2-[[(2~{S})-6-[(6-fluoranylpyridin-3-yl)amino]-1-oxidanyl-1,6-bis(oxidanylidene)hexan-2-yl]carbamoylamino]pentanedioic acid, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | Authors: | Motlova, L, Novakova, Z, Barinka, C. | Deposit date: | 2018-09-06 | Release date: | 2018-12-05 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (2.09 Å) | Cite: | 2-Aminoadipic Acid-C(O)-Glutamate Based Prostate-Specific Membrane Antigen Ligands for Potential Use as Theranostics. ACS Med Chem Lett, 9, 2018
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2ZQ1
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![BU of 2zq1 by Molmil](/molmil-images/mine/2zq1) | Exploring trypsin S3 pocket | Descriptor: | (S)-N-(4-carbamimidoylbenzyl)-1-(2-(cyclohexylamino)ethanoyl)pyrrolidine-2-carboxamide, CALCIUM ION, Cationic trypsin, ... | Authors: | Brandt, T, Baum, B, Heine, A, Klebe, G. | Deposit date: | 2008-08-03 | Release date: | 2009-08-04 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (1.68 Å) | Cite: | Congeneric but still distinct: how closely related trypsin ligands exhibit different thermodynamic and structural properties J.Mol.Biol., 405, 2011
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2EG8
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![BU of 2eg8 by Molmil](/molmil-images/mine/2eg8) | The crystal structure of E. coli dihydroorotase complexed with 5-fluoroorotic acid | Descriptor: | 5-FLUORO-2,6-DIOXO-1,2,3,6-TETRAHYDROPYRIMIDINE-4-CARBOXYLIC ACID, Dihydroorotase, ZINC ION | Authors: | Lee, M, Maher, M.J, Guss, J.M. | Deposit date: | 2007-02-28 | Release date: | 2007-07-03 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Structures of Ligand-free and Inhibitor Complexes of Dihydroorotase from Escherichia coli: Implications for Loop Movement in Inhibitor Design J.Mol.Biol., 370, 2007
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4YU0
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![BU of 4yu0 by Molmil](/molmil-images/mine/4yu0) | Crystal structure of a tetramer of GluA2 TR mutant ligand binding domains bound with glutamate at 1.26 Angstrom resolution | Descriptor: | DI(HYDROXYETHYL)ETHER, GLUTAMIC ACID, Glutamate receptor 2,Glutamate receptor 2, ... | Authors: | Chebli, M, Salazar, H, Baranovic, J, Carbone, A.L, Ghisi, V, Faelber, K, Lau, A.Y, Daumke, O, Plested, A.J.R. | Deposit date: | 2015-03-18 | Release date: | 2016-01-13 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.26 Å) | Cite: | Crystal structure of the tetrameric GluA2 ligand-binding domain in complex with glutamate at 1.26 Angstroms resolution To Be Published
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1R1T
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![BU of 1r1t by Molmil](/molmil-images/mine/1r1t) | Crystal structure of the cyanobacterial metallothionein repressor SmtB in the apo-form | Descriptor: | Transcriptional repressor smtB | Authors: | Eicken, C, Pennella, M.A, Chen, X, Koshlap, K.M, VanZile, M.L, Sacchettini, J.C, Giedroc, D.P. | Deposit date: | 2003-09-25 | Release date: | 2004-05-18 | Last modified: | 2023-08-23 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | A metal-ligand-mediated intersubunit allosteric switch in related SmtB/ArsR zinc sensor proteins. J.Mol.Biol., 333, 2003
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6H7Z
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![BU of 6h7z by Molmil](/molmil-images/mine/6h7z) | X-ray structure of human glutamate carboxypeptidase II (GCPII) in complex with a inhibitor RNA 2-65-1 | Descriptor: | (2~{S})-2-[[(2~{S})-6-[(6-fluoranylpyridin-3-yl)-methyl-amino]-1-oxidanyl-1,6-bis(oxidanylidene)hexan-2-yl]carbamoylamino]pentanedioic acid, 1,2-ETHANEDIOL, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, ... | Authors: | Motlova, L, Novakova, Z, Barinka, C. | Deposit date: | 2018-07-31 | Release date: | 2018-12-05 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | 2-Aminoadipic Acid-C(O)-Glutamate Based Prostate-Specific Membrane Antigen Ligands for Potential Use as Theranostics. ACS Med Chem Lett, 9, 2018
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2V8F
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![BU of 2v8f by Molmil](/molmil-images/mine/2v8f) | Mouse Profilin IIa in complex with a double repeat from the FH1 domain of mDia1 | Descriptor: | GLYCEROL, ISOPROPYL ALCOHOL, PROFILIN-2, ... | Authors: | Kursula, P, Kursula, I, Downer, J, Witke, W, Wilmanns, M. | Deposit date: | 2007-08-07 | Release date: | 2007-12-18 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (1.1 Å) | Cite: | High-Resolution Structural Analysis of Mammalian Profilin 2A Complex Formation with Two Physiological Ligands: The Formin Homology 1 Domain of Mdia1 and the Proline-Rich Domain of Vasp. J.Mol.Biol., 375, 2008
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