3O3X
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![BU of 3o3x by Molmil](/molmil-images/mine/3o3x) | Crystal structure of gp41-5, a single-chain 5-helix-bundle based on HIV gp41 | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, ISOPROPYL ALCOHOL, gp41-5 | Authors: | Horne, W.S, Johnson, L.M, Gellman, S.H. | Deposit date: | 2010-07-26 | Release date: | 2011-07-27 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (1.45 Å) | Cite: | Broad Distribution of Energetically Important Contacts across an Extended Protein Interface. J.Am.Chem.Soc., 133, 2011
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7EFS
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![BU of 7efs by Molmil](/molmil-images/mine/7efs) | |
3O2E
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![BU of 3o2e by Molmil](/molmil-images/mine/3o2e) | |
6F0N
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![BU of 6f0n by Molmil](/molmil-images/mine/6f0n) | GLIC mutant E82A | 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 (3.2 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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6F15
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![BU of 6f15 by Molmil](/molmil-images/mine/6f15) | GLIC mutant H127Q | 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 (2.85 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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3NYD
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![BU of 3nyd by Molmil](/molmil-images/mine/3nyd) | Crystal Structure of Kemp Eliminase HG-2 Complexed with Transition State Analog 5-Nitro Benzotriazole | Descriptor: | 5-nitro-1H-benzotriazole, ACETATE ION, Endo-1,4-beta-xylanase, ... | Authors: | Lee, T.M, Privett, H.K, Kaiser, J.T, Mayo, S.L. | Deposit date: | 2010-07-14 | Release date: | 2011-06-29 | Last modified: | 2012-04-25 | Method: | X-RAY DIFFRACTION (1.23 Å) | Cite: | Iterative approach to computational enzyme design. Proc.Natl.Acad.Sci.USA, 109, 2012
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6SHM
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![BU of 6shm by Molmil](/molmil-images/mine/6shm) | An inactive (D136A and D137A) variant of alpha-1,6-mannanase, GH76A of Salegentibacter sp. HEL1_6 in complex with alpha-1,6-mannotetrose | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, GLYCEROL, Mutant alpha-1,6-mannanase GH76A, ... | Authors: | Hehemann, J.H, Solanki, V. | Deposit date: | 2019-08-07 | Release date: | 2020-09-09 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Glycoside hydrolase from the GH76 family indicates that marine Salegentibacter sp. Hel_I_6 consumes alpha-mannan from fungi. Isme J, 2022
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3O0M
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6F0M
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![BU of 6f0m by Molmil](/molmil-images/mine/6f0m) | GLIC mutant E35Q | 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 (2.65 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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6F16
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![BU of 6f16 by Molmil](/molmil-images/mine/6f16) | GLIC mutant H277Q | 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 (2.6 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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6F3L
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![BU of 6f3l by Molmil](/molmil-images/mine/6f3l) | The crystal structure of Glycogen Phosphorylase in complex with 10b | Descriptor: | 6-[5-[(2~{S},3~{R},4~{R},5~{S},6~{R})-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]-1~{H}-1,2,4-triazol-3-yl]naphthalene-2-carboxylic acid, Glycogen phosphorylase, muscle form, ... | Authors: | Kyriakis, E, Barkas, T.A, Stravodimos, G.A, Skamnaki, V.T, Leonidas, D.D. | Deposit date: | 2017-11-28 | Release date: | 2018-02-28 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | A multidisciplinary study of 3-( beta-d-glucopyranosyl)-5-substituted-1,2,4-triazole derivatives as glycogen phosphorylase inhibitors: Computation, synthesis, crystallography and kinetics reveal new potent inhibitors. Eur J Med Chem, 147, 2018
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3NXE
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3O6W
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![BU of 3o6w by Molmil](/molmil-images/mine/3o6w) | Crystal structure of monomeric KlHxk1 in crystal form VIII (open state) | Descriptor: | GLYCEROL, Hexokinase, PHOSPHATE ION | Authors: | Kuettner, E.B, Kettner, K, Keim, A, Kriegel, T.M, Strater, N. | Deposit date: | 2010-07-29 | Release date: | 2010-10-13 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (1.48 Å) | Cite: | Crystal Structure of Hexokinase KlHxk1 of Kluyveromyces lactis: A MOLECULAR BASIS FOR UNDERSTANDING THE CONTROL OF YEAST HEXOKINASE FUNCTIONS VIA COVALENT MODIFICATION AND OLIGOMERIZATION. J.Biol.Chem., 285, 2010
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6F0R
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![BU of 6f0r by Molmil](/molmil-images/mine/6f0r) | GLIC mutant E82Q | 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 (2.5 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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6ETI
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![BU of 6eti by Molmil](/molmil-images/mine/6eti) | Structure of inhibitor-bound ABCG2 | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 5D3(Fab) heavy chain variable domain, 5D3(Fab) light chain variable domain, ... | Authors: | Jackson, S.M, Manolaridis, I, Kowal, J, Zechner, M, Altmann, K.H, Locher, K.P. | Deposit date: | 2017-10-26 | Release date: | 2018-04-11 | Last modified: | 2020-07-29 | Method: | ELECTRON MICROSCOPY (3.1 Å) | Cite: | Structural basis of small-molecule inhibition of human multidrug transporter ABCG2. Nat. Struct. Mol. Biol., 25, 2018
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6SHD
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3NOJ
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![BU of 3noj by Molmil](/molmil-images/mine/3noj) | The structure of HMG/CHA aldolase from the protocatechuate degradation pathway of Pseudomonas putida | Descriptor: | 4-carboxy-4-hydroxy-2-oxoadipate aldolase/oxaloacetate decarboxylase, MAGNESIUM ION, PYRUVIC ACID, ... | Authors: | Kimber, M.S, Wang, W, Mazurkewich, S, Seah, S.Y.K. | Deposit date: | 2010-06-25 | Release date: | 2010-09-15 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (1.82 Å) | Cite: | Structural and Kinetic Characterization of 4-Hydroxy-4-methyl-2-oxoglutarate/4-Carboxy-4-hydroxy-2-oxoadipate Aldolase, a Protocatechuate Degradation Enzyme Evolutionarily Convergent with the HpaI and DmpG Pyruvate Aldolases. J.Biol.Chem., 285, 2010
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6S90
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![BU of 6s90 by Molmil](/molmil-images/mine/6s90) | BTK in complex with an inhibitor | Descriptor: | 4-~{tert}-butyl-~{N}-[2-methyl-3-[6-[4-(4-methylpiperazin-1-yl)carbonylphenyl]-7~{H}-pyrrolo[2,3-d]pyrimidin-4-yl]phenyl]benzamide, Tyrosine-protein kinase BTK | Authors: | Gutmann, S, Hinniger, A. | Deposit date: | 2019-07-11 | Release date: | 2019-09-18 | Last modified: | 2024-05-15 | Method: | X-RAY DIFFRACTION (1.82 Å) | Cite: | Design of Potent and Selective Covalent Inhibitors of Bruton's Tyrosine Kinase Targeting an Inactive Conformation. Acs Med.Chem.Lett., 10, 2019
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3O8X
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![BU of 3o8x by Molmil](/molmil-images/mine/3o8x) | Recognition of Glycolipid Antigen by iNKT Cell TCR | Descriptor: | (2S,3R)-3-HYDROXY-2-(TETRADECANOYLAMINO)OCTADECYL ALPHA-D-GALACTOPYRANOSIDURONIC 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: | Zajonc, D.M, Li, Y. | Deposit date: | 2010-08-03 | Release date: | 2010-09-29 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (2.74 Å) | Cite: | The V alpha 14 invariant natural killer T cell TCR forces microbial glycolipids and CD1d into a conserved binding mode. J.Exp.Med., 207, 2010
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6F10
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![BU of 6f10 by Molmil](/molmil-images/mine/6f10) | GLIC mutant D88N | 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 (2.85 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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3O9W
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![BU of 3o9w by Molmil](/molmil-images/mine/3o9w) | Recognition of a Glycolipid Antigen by the iNKT Cell TCR | Descriptor: | (2S)-3-(alpha-D-galactopyranosyloxy)-2-(hexadecanoyloxy)propyl (9Z)-octadec-9-enoate, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | Authors: | Zajonc, D.M, Li, Y. | Deposit date: | 2010-08-04 | Release date: | 2010-09-29 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | The V alpha 14 invariant natural killer T cell TCR forces microbial glycolipids and CD1d into a conserved binding mode. J.Exp.Med., 207, 2010
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1K4Z
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![BU of 1k4z by Molmil](/molmil-images/mine/1k4z) | C-terminal Domain of Cyclase Associated Protein | Descriptor: | Adenylyl Cyclase-Associated Protein | Authors: | Rozwarski, D.A, Fedorov, A.A, Dodatko, T, Almo, S.C, Burley, S.K, New York SGX Research Center for Structural Genomics (NYSGXRC) | Deposit date: | 2001-10-09 | Release date: | 2002-03-13 | Last modified: | 2021-02-03 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Crystal structure of the actin binding domain of the cyclase-associated protein Biochemistry, 43, 2004
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6EXI
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6EY5
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![BU of 6ey5 by Molmil](/molmil-images/mine/6ey5) | C-terminal part (residues 224-515) of PorM | Descriptor: | T9SS component cytoplasmic membrane protein PorM, ZINC ION | Authors: | Leone, P, Cambillau, C, Roussel, A. | Deposit date: | 2017-11-10 | Release date: | 2018-02-07 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (2.85 Å) | Cite: | Type IX secretion system PorM and gliding machinery GldM form arches spanning the periplasmic space. Nat Commun, 9, 2018
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6EZI
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![BU of 6ezi by Molmil](/molmil-images/mine/6ezi) | |