7KPX
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![BU of 7kpx by Molmil](/molmil-images/mine/7kpx) | Structure of the yeast CKM | Descriptor: | Mediator of RNA polymerase II transcription subunit 12, Mediator of RNA polymerase II transcription subunit 13, Meiotic mRNA stability protein kinase SSN3, ... | Authors: | Li, Y.C, Chao, T.C, Kim, H.J, Cholko, T, Chen, S.F, Nakanishi, K, Chang, C.E, Murakami, K, Garcia, B.A, Boyer, T.G, Tsai, K.L. | Deposit date: | 2020-11-12 | Release date: | 2021-01-27 | Last modified: | 2024-03-06 | Method: | ELECTRON MICROSCOPY (4.4 Å) | Cite: | Structure and noncanonical Cdk8 activation mechanism within an Argonaute-containing Mediator kinase module. Sci Adv, 7, 2021
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1O8B
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![BU of 1o8b by Molmil](/molmil-images/mine/1o8b) | Structure of Escherichia coli ribose-5-phosphate isomerase, RpiA, complexed with arabinose-5-phosphate. | Descriptor: | 5-O-phosphono-beta-D-arabinofuranose, RIBOSE 5-PHOSPHATE ISOMERASE | Authors: | Zhang, R.-g, Andersson, C.E, Savchenko, A, Skarina, T, Evdokimova, E, Beasley, S, Arrowsmith, C.H, Edwards, A.M, Joachimiak, A, Mowbray, S.L, Midwest Center for Structural Genomics (MCSG) | Deposit date: | 2002-11-26 | Release date: | 2003-01-24 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (1.25 Å) | Cite: | Structure of Escherichia Coli Ribose-5-Phosphate Isomerase: A Ubiquitous Enzyme of the Pentose Phosphate Pathway and the Calvin Cycle Structure, 11, 2003
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7MLF
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![BU of 7mlf by Molmil](/molmil-images/mine/7mlf) | Crystal Structure of SARS-CoV-2 Main Protease (3CLpro/Mpro) Covalently Bound to Compound C7 | Descriptor: | 3C-like proteinase, N-(4-tert-butylphenyl)-2-chloro-N-[(1R)-2-(cyclohexylamino)-2-oxo-1-(pyridin-3-yl)ethyl]acetamide | Authors: | Sharon, I, Stille, J, Tjutrins, J, Wang, G, Venegas, F.A, Hennecker, C, Rueda, A.M, Miron, C.E, Pinus, S, Labarre, A, Patrascu, M.B, Vlaho, D, Huot, M, Mittermaier, A.K, Moitessier, N, Schmeing, T.M. | Deposit date: | 2021-04-28 | Release date: | 2021-12-22 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | Design, synthesis and in vitro evaluation of novel SARS-CoV-2 3CL pro covalent inhibitors. Eur.J.Med.Chem., 229, 2021
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7MLG
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![BU of 7mlg by Molmil](/molmil-images/mine/7mlg) | Crystal Structure of SARS-CoV-2 Main Protease (3CLpro/Mpro) Covalently Bound to Compound C63 | Descriptor: | (2R)-2-[(4-tert-butylphenyl)(ethanesulfonyl)amino]-N-cyclohexyl-2-(pyridin-3-yl)acetamide, 3C-like proteinase | Authors: | Sharon, I, Stille, J, Tjutrins, J, Wang, G, Venegas, F.A, Hennecker, C, Rueda, A.M, Miron, C.E, Pinus, S, Labarre, A, Patrascu, M.B, Vlaho, D, Huot, M, Mittermaier, A.K, Moitessier, N, Schmeing, T.M. | Deposit date: | 2021-04-28 | Release date: | 2021-12-22 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Design, synthesis and in vitro evaluation of novel SARS-CoV-2 3CL pro covalent inhibitors. Eur.J.Med.Chem., 229, 2021
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1NDQ
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![BU of 1ndq by Molmil](/molmil-images/mine/1ndq) | Bacillus lentus subtilisin | Descriptor: | CALCIUM ION, Subtilisin Savinase | Authors: | Pan, X, Bott, R, Glatz, C.E. | Deposit date: | 2002-12-09 | Release date: | 2004-04-06 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Subtilisin surface properties and crystal growth kinetics J.CRYST.GROWTH, 254, 2003
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1P6F
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![BU of 1p6f by Molmil](/molmil-images/mine/1p6f) | Structure of the human natural cytotoxicity receptor NKp46 | Descriptor: | natural cytotoxicity triggering receptor 1 | Authors: | Foster, C.E, Colonna, M, Sun, P.D. | Deposit date: | 2003-04-29 | Release date: | 2003-12-09 | Last modified: | 2011-07-13 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Crystal structure of the human natural killer (NK) cell activating receptor NKp46 reveals structural relationship to other leukocyte receptor complex immunoreceptors. J.Biol.Chem., 278, 2003
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1E5G
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![BU of 1e5g by Molmil](/molmil-images/mine/1e5g) | Solution structure of central CP module pair of a pox virus complement inhibitor | Descriptor: | COMPLEMENT CONTROL PROTEIN C3 | Authors: | Henderson, C.E, Bromek, K, Mullin, N.P, Smith, B.O, Uhrin, D, Barlow, P.N. | Deposit date: | 2000-07-25 | Release date: | 2000-08-31 | Last modified: | 2013-07-03 | Method: | SOLUTION NMR | Cite: | Solution Structure and Dynamics of the Central Ccp Module Pair of a Poxvirus Complement Control Protein J.Mol.Biol., 307, 2001
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1G4W
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1E3Q
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![BU of 1e3q by Molmil](/molmil-images/mine/1e3q) | TORPEDO CALIFORNICA ACETYLCHOLINESTERASE COMPLEXED WITH BW284C51 | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 4-(5-{4-[DIMETHYL(PROP-2-ENYL)AMMONIO]PHENYL}-3-OXOPENTYL)-N,N-DIMETHYL-N-PROP-2-ENYLBENZENAMINIUM, ACETYLCHOLINESTERASE, ... | Authors: | Felder, C.E, Harel, M, Silman, I, Sussman, J.L. | Deposit date: | 2000-06-21 | Release date: | 2000-07-03 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (2.85 Å) | Cite: | Structure of a Complex of the Potent and Specific Inhibitor Bw284C51 with Torpedo Californica Acetylcholinesterase Acta Crystallogr.,Sect.D, 58, 2002
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1FHH
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![BU of 1fhh by Molmil](/molmil-images/mine/1fhh) | X-RAY CRYSTAL STRUCTURE OF OXIDIZED RUBREDOXIN | Descriptor: | FE (III) ION, RUBREDOXIN | Authors: | Min, T, Ergenekan, C.E, Eidsness, M.K, Ichiye, T, Kang, C. | Deposit date: | 2000-08-01 | Release date: | 2001-03-14 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | Leucine 41 is a gate for water entry in the reduction of Clostridium pasteurianum rubredoxin. Protein Sci., 10, 2001
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1FHM
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![BU of 1fhm by Molmil](/molmil-images/mine/1fhm) | X-RAY CRYSTAL STRUCTURE OF REDUCED RUBREDOXIN | Descriptor: | FE (II) ION, RUBREDOXIN | Authors: | Min, T, Ergenekan, C.E, Eidsness, M.K, Ichiye, T, Kang, C. | Deposit date: | 2000-08-02 | Release date: | 2001-03-14 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | Leucine 41 is a gate for water entry in the reduction of Clostridium pasteurianum rubredoxin. Protein Sci., 10, 2001
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1E08
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![BU of 1e08 by Molmil](/molmil-images/mine/1e08) | Structural model of the [Fe]-Hydrogenase/cytochrome c553 complex combining NMR and soft-docking | Descriptor: | 1,3-PROPANEDITHIOL, CARBON MONOXIDE, CYANIDE ION, ... | Authors: | Morelli, X, Czjzek, M, Hatchikian, C.E, Bornet, O, Fontecilla-Camps, J.C, Palma, N.P, Moura, J.J.G, Guerlesquin, F. | Deposit date: | 2000-03-13 | Release date: | 2000-08-25 | Last modified: | 2019-11-27 | Method: | SOLUTION NMR, THEORETICAL MODEL | Cite: | Structural Model of the Fe-Hydrogenase/Cytochrome C553 Complex Combining Transverse Relaxation-Optimized Spectroscopy Experiments and Soft Docking Calculations. J.Biol.Chem., 275, 2000
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1G1J
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1G4U
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1GLF
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![BU of 1glf by Molmil](/molmil-images/mine/1glf) | CRYSTAL STRUCTURES OF ESCHERICHIA COLI GLYCEROL KINASE AND THE MUTANT A65T IN AN INACTIVE TETRAMER: CONFORMATIONAL CHANGES AND IMPLICATIONS FOR ALLOSTERIC REGULATION | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, GLYCEROL, PHOSPHATE ION, ... | Authors: | Feese, M.D, Faber, H.R, Bystrom, C.E, Pettigrew, D.W, Remington, S.J. | Deposit date: | 1998-08-30 | Release date: | 1998-10-16 | Last modified: | 2023-08-09 | Method: | X-RAY DIFFRACTION (2.62 Å) | Cite: | Glycerol kinase from Escherichia coli and an Ala65-->Thr mutant: the crystal structures reveal conformational changes with implications for allosteric regulation. Structure, 6, 1998
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1GLL
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![BU of 1gll by Molmil](/molmil-images/mine/1gll) | ESCHERICHIA COLI GLYCEROL KINASE MUTANT WITH BOUND ATP ANALOG SHOWING SUBSTANTIAL DOMAIN MOTION | Descriptor: | GLYCEROL, GLYCEROL KINASE, MAGNESIUM ION, ... | Authors: | Bystrom, C.E, Pettigrew, D.W, Branchaud, B.P, Remington, S.J. | Deposit date: | 1998-09-24 | Release date: | 1999-05-18 | Last modified: | 2024-05-22 | Method: | X-RAY DIFFRACTION (3 Å) | Cite: | Crystal structures of Escherichia coli glycerol kinase variant S58-->W in complex with nonhydrolyzable ATP analogues reveal a putative active conformation of the enzyme as a result of domain motion. Biochemistry, 38, 1999
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1GM9
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![BU of 1gm9 by Molmil](/molmil-images/mine/1gm9) | Crystal structures of penicillin acylase enzyme-substrate complexes: Structural insights into the catalytic mechanism | Descriptor: | 1,2-ETHANEDIOL, CALCIUM ION, N-[(2S,4S,6R)-2-(DIHYDROXYMETHYL)-4-HYDROXY-3,3-DIMETHYL-7-OXO-4LAMBDA~4~-THIA-1-AZABICYCLO[3.2.0]HEPT-6-YL]-2-PHENYLAC ETAMIDE, ... | Authors: | McVey, C.E, Walsh, M.A, Dodson, G.G, Wilson, K.S, Brannigan, J.A. | Deposit date: | 2001-09-12 | Release date: | 2001-11-28 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Crystal Structures of Penicillin Acylase Enzyme- Substrate Complexes: Structural Insights Into the Catalytic Mechanism J.Mol.Biol., 313, 2001
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1F7S
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![BU of 1f7s by Molmil](/molmil-images/mine/1f7s) | CRYSTAL STRUCTURE OF ADF1 FROM ARABIDOPSIS THALIANA | Descriptor: | ACTIN DEPOLYMERIZING FACTOR (ADF), LAURYL DIMETHYLAMINE-N-OXIDE | Authors: | Bowman, G.D, Nodelman, I.M, Lindberg, U, Chua, N.H, Schutt, C.E. | Deposit date: | 2000-06-27 | Release date: | 2000-11-15 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | A comparative structural analysis of the ADF/cofilin family. Proteins, 41, 2000
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1G1I
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1GLJ
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![BU of 1glj by Molmil](/molmil-images/mine/1glj) | ESCHERICHIA COLI GLYCEROL KINASE MUTANT WITH BOUND ATP ANALOG SHOWING SUBSTANTIAL DOMAIN MOTION | Descriptor: | GAMMA-ARSONO-BETA, GAMMA-METHYLENEADENOSINE-5'-DIPHOSPHATE, GLYCEROL, ... | Authors: | Bystrom, C.E, Pettigrew, D.W, Branchaud, B.P, Remington, S.J. | Deposit date: | 1998-09-03 | Release date: | 1999-05-18 | Last modified: | 2024-05-22 | Method: | X-RAY DIFFRACTION (3 Å) | Cite: | Crystal structures of Escherichia coli glycerol kinase variant S58-->W in complex with nonhydrolyzable ATP analogues reveal a putative active conformation of the enzyme as a result of domain motion. Biochemistry, 38, 1999
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1GQT
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1GM7
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![BU of 1gm7 by Molmil](/molmil-images/mine/1gm7) | Crystal structures of penicillin acylase enzyme-substrate complexes: Structural insights into the catalytic mechanism | Descriptor: | 1,2-ETHANEDIOL, CALCIUM ION, PENICILLIN G, ... | Authors: | McVey, C.E, Walsh, M.A, Dodson, G.G, Wilson, K.S, Brannigan, J.A. | Deposit date: | 2001-09-11 | Release date: | 2001-11-28 | Last modified: | 2019-07-24 | Method: | X-RAY DIFFRACTION (1.45 Å) | Cite: | Crystal Structures of Penicillin Acylase Enzyme- Substrate Complexes: Structural Insights Into the Catalytic Mechanism J.Mol.Biol., 313, 2001
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1GM8
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![BU of 1gm8 by Molmil](/molmil-images/mine/1gm8) | Crystal structures of penicillin acylase enzyme-substrate complexes: Structural insights into the catalytic mechanism | Descriptor: | CALCIUM ION, N-[(2S,4S,6R)-2-(DIHYDROXYMETHYL)-4-HYDROXY-3,3-DIMETHYL-7-OXO-4LAMBDA~4~-THIA-1-AZABICYCLO[3.2.0]HEPT-6-YL]-2-PHENYLAC ETAMIDE, PENICILLIN G ACYLASE ALPHA SUBUNIT, ... | Authors: | McVey, C.E, Walsh, M.A, Dodson, G.G, Wilson, K.S, Brannigan, J.A. | Deposit date: | 2001-09-11 | Release date: | 2001-11-28 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Crystal Structures of Penicillin Acylase Enzyme- Substrate Complexes: Structural Insights Into the Catalytic Mechanism J.Mol.Biol., 313, 2001
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1EFA
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![BU of 1efa by Molmil](/molmil-images/mine/1efa) | |
1H0V
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![BU of 1h0v by Molmil](/molmil-images/mine/1h0v) | Human cyclin dependent protein kinase 2 in complex with the inhibitor 2-Amino-6-[(R)-pyrrolidino-5'-yl]methoxypurine | Descriptor: | 5-{[(2-AMINO-9H-PURIN-6-YL)OXY]METHYL}-2-PYRROLIDINONE, CELL DIVISION PROTEIN KINASE 2 | Authors: | Gibson, A.E, Arris, C.E, Bentley, J, Boyle, F.T, Curtin, N.J, Davies, T.G, Endicott, J.A, Golding, B.T, Grant, S, Griffin, R.J, Jewsbury, P, Johnson, L.N, Mesguiche, V, Newell, D.R, Noble, M.E.M, Tucker, J.A, Whitfield, H.J. | Deposit date: | 2002-06-27 | Release date: | 2003-06-27 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Probing the ATP Ribose-Binding Domain of Cyclin-Dependent Kinases 1 and 2 with O(6)-Substituted Guanine Derivatives J.Med.Chem., 45, 2002
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