8JT5
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![BU of 8jt5 by Molmil](/molmil-images/mine/8jt5) | VMAT2 complex with histamine | Descriptor: | HISTAMINE, Synaptic vesicular amine transporter | Authors: | Jiang, D.H, Wu, D. | Deposit date: | 2023-06-21 | Release date: | 2024-05-08 | Method: | ELECTRON MICROSCOPY (3.06 Å) | Cite: | VMAT2 complex with histamine To Be Published
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2Y4Q
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3M42
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![BU of 3m42 by Molmil](/molmil-images/mine/3m42) | Crystal structure of MAPKAP kinase 2 (MK2) complexed with a tetracyclic ATP site inhibitor | Descriptor: | 2-[5-(2-methoxyethoxy)pyridin-3-yl]-8,9,10,11-tetrahydro-7H-pyrido[3',4':4,5]pyrrolo[2,3-f]isoquinolin-7-one, MAGNESIUM ION, MAP kinase-activated protein kinase 2 | Authors: | Scheufler, C, Revesz, L, Be, C, Izaac, A, Huppertz, C, Schlapbach, A, Kroemer, M. | Deposit date: | 2010-03-10 | Release date: | 2011-03-23 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (2.68 Å) | Cite: | Novel pyrrolo[2,3-f]isoquinoline based MAPKAP-K2 (MK2) inhibitors with potent in vitro and in vivo activity To be Published
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3M2A
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8JSX
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2XQ3
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![BU of 2xq3 by Molmil](/molmil-images/mine/2xq3) | Pentameric ligand gated ion channel GLIC in complex with Br-lidocaine | Descriptor: | BROMIDE ION, GLR4197 PROTEIN | Authors: | Hilf, R.J.C, Bertozzi, C, Zimmermann, I, Reiter, A, Trauner, D, Dutzler, R. | Deposit date: | 2010-09-01 | Release date: | 2010-11-10 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (3.5 Å) | Cite: | Structural Basis of Open Channel Block in a Prokaryotic Pentameric Ligand-Gated Ion Channel Nat.Struct.Mol.Biol., 17, 2010
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2RN0
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1WMV
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8JTB
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![BU of 8jtb by Molmil](/molmil-images/mine/8jtb) | VMAT2 complex with dopamine | Descriptor: | L-DOPAMINE, Synaptic vesicular amine transporter | Authors: | Jiang, D.H, Wu, D. | Deposit date: | 2023-06-21 | Release date: | 2024-05-08 | Method: | ELECTRON MICROSCOPY (2.93 Å) | Cite: | VMAT2 complex with dopamine To Be Published
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2XQG
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![BU of 2xqg by Molmil](/molmil-images/mine/2xqg) | X-ray Structure of human butyrylcholinesterase inhibited by racemic VR | Descriptor: | 2-METHYLPROPYL HYDROGEN (R)-METHYLPHOSPHONATE, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[beta-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, ... | Authors: | Wandhammer, M, Carletti, E, Gillon, E, Masson, P, Goeldner, M, Noort, D, Nachon, F. | Deposit date: | 2010-09-02 | Release date: | 2011-03-23 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Structural Study of the Complex Stereoselectivity of Human Butyrylcholinesterase for the Neurotoxic V-Agents. J.Biol.Chem., 286, 2011
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2XPB
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![BU of 2xpb by Molmil](/molmil-images/mine/2xpb) | DISCOVERY OF CELL-ACTIVE PHENYL-IMIDAZOLE PIN1 INHIBITORS BY STRUCTURE-GUIDED FRAGMENT EVOLUTION | Descriptor: | 5-[BENZYL(METHYL)CARBAMOYL]-2-(3-CHLOROPHENYL)-1H-IMIDAZOLE-4-CARBOXYLIC ACID, DODECAETHYLENE GLYCOL, PEPTIDYL-PROLYL CIS-TRANS ISOMERASE NIMA-INTERACTING 1 | Authors: | Potter, A, Oldfield, V, Nunns, C, Fromont, C, Ray, S, Northfield, C.J, Bryant, C.J, Scrace, S.F, Robinson, D, Matossova, N, Baker, L, Dokurno, P, Surgenor, A.E, Davis, B.E, Richardson, C.M, Murray, J.B, Moore, J.D. | Deposit date: | 2010-08-25 | Release date: | 2011-01-12 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Discovery of Cell-Active Phenyl-Imidazole Pin1 Inhibitors by Structure-Guided Fragment Evolution. Bioorg.Med.Chem.Lett., 20, 2010
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2XQJ
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![BU of 2xqj by Molmil](/molmil-images/mine/2xqj) | X-ray Structure of human butyrylcholinesterase inhibited by pure enantiomer VX-(R) | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[beta-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, ... | Authors: | Wandhammer, M, Carletti, E, Gillon, E, Masson, P, Goeldner, M, Noort, D, Nachon, F. | Deposit date: | 2010-09-02 | Release date: | 2011-03-23 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Structural Study of the Complex Stereoselectivity of Human Butyrylcholinesterase for the Neurotoxic V-Agents. J.Biol.Chem., 286, 2011
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6JEB
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![BU of 6jeb by Molmil](/molmil-images/mine/6jeb) | crystal structure of a beta-N-acetylhexosaminidase | Descriptor: | ACETAMIDE, Beta-N-acetylhexosaminidase, ZINC ION | Authors: | Chen, X, Wang, J.C, Liu, M.J, Yang, W.Y, Wang, Y.Z, Tang, R.P, Zhang, M. | Deposit date: | 2019-02-05 | Release date: | 2019-03-13 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (1.498 Å) | Cite: | Crystallographic evidence for substrate-assisted catalysis of beta-N-acetylhexosaminidas from Akkermansia muciniphila. Biochem. Biophys. Res. Commun., 511, 2019
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2XYY
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![BU of 2xyy by Molmil](/molmil-images/mine/2xyy) | De Novo model of Bacteriophage P22 procapsid coat protein | Descriptor: | COAT PROTEIN | Authors: | Chen, D.-H, Baker, M.L, Hryc, C.F, DiMaio, F, Jakana, J, Wu, W, Dougherty, M, Haase-Pettingell, C, Schmid, M.F, Jiang, W, Baker, D, King, J.A, Chiu, W. | Deposit date: | 2010-11-19 | Release date: | 2011-02-02 | Last modified: | 2024-05-08 | Method: | ELECTRON MICROSCOPY (3.8 Å) | Cite: | Structural Basis for Scaffolding-Mediated Assembly and Maturation of a DsDNA Virus. Proc.Natl.Acad.Sci.USA, 108, 2011
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2XZB
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![BU of 2xzb by Molmil](/molmil-images/mine/2xzb) | Pig Gastric H,K-ATPase with bound BeF and SCH28080 | Descriptor: | POTASSIUM-TRANSPORTING ATPASE ALPHA CHAIN 1, POTASSIUM-TRANSPORTING ATPASE SUBUNIT BETA | Authors: | Abe, K, Tani, K, Fujiyoshi, Y. | Deposit date: | 2010-11-24 | Release date: | 2011-01-26 | Last modified: | 2020-09-16 | Method: | ELECTRON CRYSTALLOGRAPHY (7 Å) | Cite: | Conformational Rearrangement of Gastric H(+),K(+)- ATPase Induced by an Acid Suppressant. Nat.Commun., 2, 2011
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1WBQ
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![BU of 1wbq by Molmil](/molmil-images/mine/1wbq) | ZnMg substituted aminopeptidase P from E. coli | Descriptor: | CHLORIDE ION, MAGNESIUM ION, XAA-PRO AMINOPEPTIDASE, ... | Authors: | Graham, S.C, Bond, C.S, Freeman, H.C, Guss, J.M. | Deposit date: | 2004-11-05 | Release date: | 2005-09-29 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Structural and Functional Implications of Metal Ion Selection in Aminopeptidase P, a Metalloprotease with a Dinuclear Metal Center. Biochemistry, 44, 2005
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2RJ0
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8OJP
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![BU of 8ojp by Molmil](/molmil-images/mine/8ojp) | Human galectin 1 in complex with inhibitor | Descriptor: | (2~{R},3~{R},4~{S},5~{R},6~{R})-2-[3,5-bis(chloranyl)-4-fluoranyl-phenyl]sulfanyl-6-(hydroxymethyl)-4-[4-(1,3-thiazol-2-yl)-1,2,3-triazol-1-yl]oxane-3,5-diol, GLYCEROL, Galectin-1 | Authors: | Hakansson, M, Diehl, C, Nilsson, U.J, Zetterberg, F.R, Peterson, K. | Deposit date: | 2023-03-24 | Release date: | 2024-06-12 | Method: | X-RAY DIFFRACTION (1.71 Å) | Cite: | Discovery of Selective and Orally Available Galectin-1 Inhibitors. J.Med.Chem., 66, 2023
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1WGI
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1WGJ
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2XPW
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![BU of 2xpw by Molmil](/molmil-images/mine/2xpw) | TetR(D) in complex with oxytetracycline and magnesium. | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CHLORIDE ION, MAGNESIUM ION, ... | Authors: | Dalm, D, Proft, J, Palm, G.J, Hinrichs, W. | Deposit date: | 2010-08-30 | Release date: | 2011-09-07 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (1.44 Å) | Cite: | Tetr(D) in Complex with Oxytetracycline. To be Published
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8KCW
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![BU of 8kcw by Molmil](/molmil-images/mine/8kcw) | Cryo-EM structure of human SIDT1 bound to cholesterol | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CHOLESTEROL, SID1 transmembrane family member 1, ... | Authors: | Hirano, Y, Ohto, U, Shimizu, T. | Deposit date: | 2023-08-08 | Release date: | 2024-06-12 | Method: | ELECTRON MICROSCOPY (2.77 Å) | Cite: | Cryo-EM analysis reveals human SID-1 transmembrane family member 1 dynamics underlying lipid hydrolytic activity. Commun Biol, 7, 2024
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2XQR
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![BU of 2xqr by Molmil](/molmil-images/mine/2xqr) | Crystal structure of plant cell wall invertase in complex with a specific protein inhibitor | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, ... | Authors: | Hothorn, M, Van den Ende, W, Lammens, W, Rybin, V, Scheffzek, K. | Deposit date: | 2010-09-07 | Release date: | 2010-10-06 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.58 Å) | Cite: | Structural Insights Into the Ph-Controlled Targeting of Plant Cell-Wall Invertase by a Specific Inhibitor Protein. Proc.Natl.Acad.Sci.USA, 107, 2010
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1WYK
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![BU of 1wyk by Molmil](/molmil-images/mine/1wyk) | SINDBIS VIRUS CAPSID PROTEIN (114-264) | Descriptor: | 1,4-DIETHYLENE DIOXIDE, FORMYL GROUP, SINDBIS VIRUS CAPSID PROTEIN | Authors: | Lee, S, Kuhn, R.J, Rossmann, M.G. | Deposit date: | 1998-01-12 | Release date: | 1998-04-29 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Probing the potential glycoprotein binding site of sindbis virus capsid protein with dioxane and model building. Proteins, 33, 1998
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6JNT
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![BU of 6jnt by Molmil](/molmil-images/mine/6jnt) | Catalase structure determined by eEFD (dataset 1) | Descriptor: | Catalase, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, PROTOPORPHYRIN IX CONTAINING FE | Authors: | Yonekura, K, Maki-Yonekura, S. | Deposit date: | 2019-03-18 | Release date: | 2019-04-24 | Last modified: | 2024-03-27 | Method: | ELECTRON CRYSTALLOGRAPHY (3 Å) | Cite: | A new cryo-EM system for electron 3D crystallography by eEFD. J.Struct.Biol., 206, 2019
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