2VJC
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![BU of 2vjc by Molmil](/molmil-images/mine/2vjc) | Torpedo Californica Acetylcholinesterase In Complex With A Non Hydrolysable Substrate Analogue, 4-Oxo-N,N,N- Trimethylpentanaminium - Orthorhombic space group - Dataset A at 150K | Descriptor: | (4R)-4-HYDROXY-N,N,N-TRIMETHYLPENTAN-1-AMINIUM, 2-acetamido-2-deoxy-beta-D-glucopyranose, ACETYLCHOLINESTERASE, ... | Authors: | Colletier, J.P, Bourgeois, D, Fournier, D, Silman, I, Sussman, J.L, Weik, M. | Deposit date: | 2007-12-09 | Release date: | 2008-07-22 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Shoot-and-Trap: Use of Specific X-Ray Damage to Study Structural Protein Dynamics by Temperature-Controlled Cryo-Crystallography. Proc.Natl.Acad.Sci.USA, 105, 2008
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2VJA
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![BU of 2vja by Molmil](/molmil-images/mine/2vja) | Torpedo Californica Acetylcholinesterase In Complex With A Non Hydrolysable Substrate Analogue, 4-Oxo-N,N,N- Trimethylpentanaminium - Orthorhombic space group - Dataset A at 100K | Descriptor: | (4R)-4-HYDROXY-N,N,N-TRIMETHYLPENTAN-1-AMINIUM, 2-acetamido-2-deoxy-beta-D-glucopyranose, ACETYLCHOLINESTERASE, ... | Authors: | Colletier, J.P, Bourgeois, D, Fournier, D, Silman, I, Sussman, J.L, Weik, M. | Deposit date: | 2007-12-09 | Release date: | 2008-07-22 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Shoot-and-Trap: Use of Specific X-Ray Damage to Study Structural Protein Dynamics by Temperature-Controlled Cryo-Crystallography. Proc.Natl.Acad.Sci.USA, 105, 2008
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8PSR
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![BU of 8psr by Molmil](/molmil-images/mine/8psr) | ERK2 covalently bound to SynthRevD-12-opt artificial peptide | Descriptor: | GLYCEROL, Mitogen-activated protein kinase 1, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER, ... | Authors: | Sok, P, Poti, A, Gogl, G, Remenyi, A. | Deposit date: | 2023-07-13 | Release date: | 2024-07-24 | Method: | X-RAY DIFFRACTION (1.85 Å) | Cite: | Targeting a key protein-protein interaction surface on mitogen-activated protein kinases by a Michael acceptor-based cyclic warhead scaffold To Be Published
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1PDW
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![BU of 1pdw by Molmil](/molmil-images/mine/1pdw) | |
8PT0
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![BU of 8pt0 by Molmil](/molmil-images/mine/8pt0) | ERK2 covelently bound to RU75 cyclohexenone based inhibitor | Descriptor: | GLYCEROL, Mitogen-activated protein kinase 1, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER, ... | Authors: | Sok, P, Poti, A, Remenyi, A, Gogl, G. | Deposit date: | 2023-07-13 | Release date: | 2024-07-24 | Method: | X-RAY DIFFRACTION (1.65 Å) | Cite: | Targeting a key protein-protein interaction surface on mitogen-activated protein kinases by a Michael acceptor-based cyclic warhead scaffold To Be Published
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1PAJ
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![BU of 1paj by Molmil](/molmil-images/mine/1paj) | NMR SOLUTION STRUCTURE AND FLEXIBILITY OF A PEPTIDE ANTIGEN REPRESENTING THE RECEPTOR BINDING DOMAIN OF PSEUDOMONAS AERUGINOSA | Descriptor: | FIMBRIAL PROTEIN PRECURSOR, HYDROXIDE ION | Authors: | Mcinnes, C, Sonnichsen, F.D, Kay, C.M, Hodges, R.S, Sykes, B.D. | Deposit date: | 1993-08-25 | Release date: | 1994-01-31 | Last modified: | 2017-11-29 | Method: | SOLUTION NMR | Cite: | NMR solution structure and flexibility of a peptide antigen representing the receptor binding domain of Pseudomonas aeruginosa. Biochemistry, 32, 1993
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8Q2B
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![BU of 8q2b by Molmil](/molmil-images/mine/8q2b) | E. coli Adenylate Kinase variant D158A (AK D158A) showing significant changes to the stacking of catalytic arginine side chains | Descriptor: | 3[N-MORPHOLINO]PROPANE SULFONIC ACID, Adenylate kinase, BIS(ADENOSINE)-5'-PENTAPHOSPHATE, ... | Authors: | Sauer, U.H, Wolf-Watz, M, Nam, K. | Deposit date: | 2023-08-01 | Release date: | 2024-07-10 | Method: | X-RAY DIFFRACTION (1.76 Å) | Cite: | Elucidating Dynamics of Adenylate Kinase from Enzyme Opening to Ligand Release. J.Chem.Inf.Model., 64, 2024
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8CEP
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![BU of 8cep by Molmil](/molmil-images/mine/8cep) | Kasugamycin bound to the 30S body | Descriptor: | (1S,2R,3S,4R,5S,6S)-2,3,4,5,6-PENTAHYDROXYCYCLOHEXYL 2-AMINO-4-{[CARBOXY(IMINO)METHYL]AMINO}-2,3,4,6-TETRADEOXY-ALPHA-D-ARABINO-HEXOPYRANOSIDE, 16S rRNA, 23S rRNA, ... | Authors: | Paternoga, H, Beckert, B, Wilson, D.N. | Deposit date: | 2023-02-02 | Release date: | 2023-07-19 | Last modified: | 2024-04-24 | Method: | ELECTRON MICROSCOPY (2.04 Å) | Cite: | Structural conservation of antibiotic interaction with ribosomes. Nat.Struct.Mol.Biol., 30, 2023
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8CAI
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![BU of 8cai by Molmil](/molmil-images/mine/8cai) | Streptomycin and Hygromycin B bound to the 30S body | Descriptor: | 16S rRNA, 30S ribosomal protein S16, 30S ribosomal protein S2, ... | Authors: | Paternoga, H, Crowe-McAuliffe, C, Novacek, J, Wilson, D.N. | Deposit date: | 2023-01-24 | Release date: | 2023-07-26 | Last modified: | 2024-04-24 | Method: | ELECTRON MICROSCOPY (2.08 Å) | Cite: | Structural conservation of antibiotic interaction with ribosomes. Nat.Struct.Mol.Biol., 30, 2023
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8CGU
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![BU of 8cgu by Molmil](/molmil-images/mine/8cgu) | Gentamicin bound to the 30S body | Descriptor: | (2R,3R,4R,5R)-2-((1S,2S,3R,4S,6R)-4,6-DIAMINO-3-((2R,3R,6S)-3-AMINO-6-(AMINOMETHYL)-TETRAHYDRO-2H-PYRAN-2-YLOXY)-2-HYDR OXYCYCLOHEXYLOXY)-5-METHYL-4-(METHYLAMINO)-TETRAHYDRO-2H-PYRAN-3,5-DIOL, 16S rRNA, 23S rRNA, ... | Authors: | Paternoga, H, Crowe-McAuliffe, C, Novacek, J, Wilson, D.N. | Deposit date: | 2023-02-06 | Release date: | 2023-07-26 | Last modified: | 2024-04-24 | Method: | ELECTRON MICROSCOPY (1.89 Å) | Cite: | Structural conservation of antibiotic interaction with ribosomes. Nat.Struct.Mol.Biol., 30, 2023
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8CGJ
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![BU of 8cgj by Molmil](/molmil-images/mine/8cgj) | Streptomycin bound to the 30S body | Descriptor: | 16S rRNA, 23S rRNA, 30S ribosomal protein S16, ... | Authors: | Paternoga, H, Crowe-McAuliffe, C, Beckert, B, Wilson, D.N. | Deposit date: | 2023-02-05 | Release date: | 2023-07-26 | Last modified: | 2024-04-24 | Method: | ELECTRON MICROSCOPY (1.79 Å) | Cite: | Structural conservation of antibiotic interaction with ribosomes. Nat.Struct.Mol.Biol., 30, 2023
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1O5R
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![BU of 1o5r by Molmil](/molmil-images/mine/1o5r) | Crystal structure of adenosine deaminase complexed with a potent inhibitor | Descriptor: | 1-[(1R)-3-(6-{[(BENZYLAMINO)CARBONYL]AMINO}-1H-INDOL-1-YL)-1-(HYDROXYMETHYL)PROPYL]-1H-IMIDAZOLE-4-CARBOXAMIDE, Adenosine deaminase, ZINC ION | Authors: | Kinoshita, T. | Deposit date: | 2003-10-05 | Release date: | 2004-09-21 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (2.35 Å) | Cite: | Structure-based design, synthesis, and structure-activity relationship studies of novel non-nucleoside adenosine deaminase inhibitors J.Med.Chem., 47, 2004
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8DT7
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![BU of 8dt7 by Molmil](/molmil-images/mine/8dt7) | X-ray structure of human acetylcholinesterase in complex with oxime MMB4 (hAChE-MMB4) | Descriptor: | 1,1'-methylenebis{4-[(E)-(hydroxyimino)methyl]pyridin-1-ium}, Acetylcholinesterase, GLYCEROL, ... | Authors: | Kovalevsky, A.Y, Gerlits, O, Radic, Z. | Deposit date: | 2022-07-25 | Release date: | 2022-11-02 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.207 Å) | Cite: | Structural and dynamic effects of paraoxon binding to human acetylcholinesterase by X-ray crystallography and inelastic neutron scattering. Structure, 30, 2022
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8DT2
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![BU of 8dt2 by Molmil](/molmil-images/mine/8dt2) | X-ray structure of human acetylcholinesterase inhibited by paraoxon (POX-hAChE) | Descriptor: | Acetylcholinesterase, DIETHYL PHOSPHONATE, DIMETHYL SULFOXIDE, ... | Authors: | Kovalevsky, A.Y, Gerlits, O, Radic, Z. | Deposit date: | 2022-07-25 | Release date: | 2022-11-02 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.803 Å) | Cite: | Structural and dynamic effects of paraoxon binding to human acetylcholinesterase by X-ray crystallography and inelastic neutron scattering. Structure, 30, 2022
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8DVS
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![BU of 8dvs by Molmil](/molmil-images/mine/8dvs) | Cryo-EM structure of RIG-I bound to the end of OHSLR30 (+ATP) | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, Antiviral innate immune response receptor RIG-I, MAGNESIUM ION, ... | Authors: | Wang, W, Pyle, A.M. | Deposit date: | 2022-07-29 | Release date: | 2022-11-16 | Last modified: | 2024-06-12 | Method: | ELECTRON MICROSCOPY (3 Å) | Cite: | The RIG-I receptor adopts two different conformations for distinguishing host from viral RNA ligands. Mol.Cell, 82, 2022
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8DOG
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![BU of 8dog by Molmil](/molmil-images/mine/8dog) | Dehaloperoxidase B in complex with Bisphenol E | Descriptor: | 4-[1-(4-hydroxyphenyl)ethyl]phenol, Dehaloperoxidase B, GLYCEROL, ... | Authors: | de Serrano, V.S, Yun, D, Ghiladi, R. | Deposit date: | 2022-07-13 | Release date: | 2022-11-02 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (1.48 Å) | Cite: | Oxidation of bisphenol A (BPA) and related compounds by the multifunctional catalytic globin dehaloperoxidase. J.Inorg.Biochem., 238, 2023
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2W9Z
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![BU of 2w9z by Molmil](/molmil-images/mine/2w9z) | Crystal Structure of CDK4 in complex with a D-type cyclin | Descriptor: | CELL DIVISION PROTEIN KINASE 4, G1/S-SPECIFIC CYCLIN-D1 | Authors: | Day, P.J, Cleasby, A, Tickle, I.J, Reilly, M.O, Coyle, J.E, Holding, F.P, McMenamin, R.L, Yon, J, Chopra, R, Lengauer, C, Jhoti, H. | Deposit date: | 2009-01-30 | Release date: | 2009-03-10 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (2.45 Å) | Cite: | Crystal Structure of Human Cdk4 in Complex with a D-Type Cyclin. Proc.Natl.Acad.Sci.USA, 106, 2009
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1NMY
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![BU of 1nmy by Molmil](/molmil-images/mine/1nmy) | Crystal structure of human thymidylate kinase with FLTMP and AppNHp | Descriptor: | 3'-FLUORO-3'-DEOXYTHYMIDINE MONOPHOSPHATE, ADENOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, ... | Authors: | Ostermann, N, Segura-Pena, D, Meier, C, Veit, T, Monnerjahn, M, Konrad, M, Lavie, A. | Deposit date: | 2003-01-12 | Release date: | 2003-03-18 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Structures of human thymidylate kinase in complex with prodrugs:
implications for the structure-based design of novel compounds Biochemistry, 42, 2003
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8QSJ
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![BU of 8qsj by Molmil](/molmil-images/mine/8qsj) | Human mitoribosomal large subunit assembly intermediate 2 with GTPBP7 | Descriptor: | 16S rRNA, 39S ribosomal protein L10, mitochondrial, ... | Authors: | Ritter, C, Nguyen, T.G, Kummer, E. | Deposit date: | 2023-10-10 | Release date: | 2023-12-13 | Last modified: | 2024-06-26 | Method: | ELECTRON MICROSCOPY (3 Å) | Cite: | Structural insights into the role of GTPBP10 in the RNA maturation of the mitoribosome. Nat Commun, 14, 2023
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8DT5
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![BU of 8dt5 by Molmil](/molmil-images/mine/8dt5) | X-ray structure of human acetylcholinesterase ternary complex with paraoxon and oxime RS170B (POX-hAChE-RS170B) | Descriptor: | 4-carbamoyl-1-(3-{2-[(E)-(hydroxyimino)methyl]-1H-imidazol-1-yl}propyl)pyridin-1-ium, Acetylcholinesterase, DIETHYL PHOSPHONATE, ... | Authors: | Kovalevsky, A.Y, Gerlits, O, Radic, Z. | Deposit date: | 2022-07-25 | Release date: | 2022-11-02 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | Structural and dynamic effects of paraoxon binding to human acetylcholinesterase by X-ray crystallography and inelastic neutron scattering. Structure, 30, 2022
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8DVU
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![BU of 8dvu by Molmil](/molmil-images/mine/8dvu) | |
2W9F
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![BU of 2w9f by Molmil](/molmil-images/mine/2w9f) | Crystal Structure of CDK4 in complex with a D-type cyclin | Descriptor: | CELL DIVISION PROTEIN KINASE 4, G1/S-SPECIFIC CYCLIN-D1 | Authors: | Day, P.J, Cleasby, A, Tickle, I.J, Reilly, M.O, Coyle, J.E, Holding, F.P, McMenamin, R.L, Yon, J, Chopra, R, Lengauer, C, Jhoti, H. | Deposit date: | 2009-01-23 | Release date: | 2009-03-10 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (2.85 Å) | Cite: | Crystal Structure of Human Cdk4 in Complex with a D-Type Cyclin. Proc.Natl.Acad.Sci.USA, 106, 2009
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8E2O
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![BU of 8e2o by Molmil](/molmil-images/mine/8e2o) | |
2VZI
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![BU of 2vzi by Molmil](/molmil-images/mine/2vzi) | Crystal structure of the C-terminal calponin homology domain of alpha- parvin in complex with paxillin LD4 motif | Descriptor: | 1,2-ETHANEDIOL, Alpha-parvin, Paxillin,Paxillin, ... | Authors: | Lorenz, S, Vakonakis, I, Lowe, E.D, Campbell, I.D, Noble, M.E.M, Hoellerer, M.K. | Deposit date: | 2008-08-01 | Release date: | 2008-10-28 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Structural analysis of the interactions between paxillin LD motifs and alpha-parvin. Structure, 16, 2008
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1NMD
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![BU of 1nmd by Molmil](/molmil-images/mine/1nmd) | Crystal Structure of D. Discoideum Actin-Gelsolin Segment 1 Complex Crystallized In Presence Of Lithium ATP | Descriptor: | ADENOSINE-5'-TRIPHOSPHATE, Actin, CALCIUM ION, ... | Authors: | Vorobiev, S.M, Welti, S, Condeelis, J, Almo, S.C. | Deposit date: | 2003-01-09 | Release date: | 2003-02-04 | Last modified: | 2023-08-16 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | The Structure Of The Non-Vertebrate Actin: Implications For The ATP Hydrolytic Mechanism Proc.Natl.Acad.Sci.USA, 100, 2003
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