1PGF
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![BU of 1pgf by Molmil](/molmil-images/mine/1pgf) | PROSTAGLANDIN H2 SYNTHASE-1 COMPLEXED WITH 1-(4-IODOBENZOYL)-5-METHOXY-2-METHYLINDOLE-3-ACETIC ACID (IODOINDOMETHACIN), CIS MODEL | Descriptor: | 1-(4-IODOBENZOYL)-5-METHOXY-2-METHYL INDOLE-3-ACETIC 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: | Loll, P.J, Picot, D, Garavito, R.M. | Deposit date: | 1995-12-02 | Release date: | 1997-01-11 | Last modified: | 2020-07-29 | Method: | X-RAY DIFFRACTION (4.5 Å) | Cite: | Synthesis and use of iodinated nonsteroidal antiinflammatory drug analogs as crystallographic probes of the prostaglandin H2 synthase cyclooxygenase active site. Biochemistry, 35, 1996
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8G6I
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![BU of 8g6i by Molmil](/molmil-images/mine/8g6i) | Coagulation factor VIII bound to a patient-derived anti-C1 domain antibody inhibitor | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Coagulation factor VIII chimera from human and pig, NB33 heavy chain, ... | Authors: | Childers, K.C, Davulcu, O, Haynes, R.M, Lollar, P, Doering, C.B, Coxon, C.H, Spiegel, P.C. | Deposit date: | 2023-02-15 | Release date: | 2023-05-24 | Last modified: | 2023-07-26 | Method: | ELECTRON MICROSCOPY (4.23 Å) | Cite: | Structure of coagulation factor VIII bound to a patient-derived anti-C1 domain antibody inhibitor. Blood, 142, 2023
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8FWP
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![BU of 8fwp by Molmil](/molmil-images/mine/8fwp) | Crystal Structure of CDC10 - CDC3 heterocomplex from Saccharomyces cerevisiae | Descriptor: | Cell division control protein 10, Cell division control protein 3, GUANOSINE-5'-DIPHOSPHATE, ... | Authors: | Silva, R.M, Leonardo, D.A, Pereira, H.M, Garratt, R.C. | Deposit date: | 2023-01-23 | Release date: | 2023-07-05 | Last modified: | 2024-05-22 | Method: | X-RAY DIFFRACTION (2.22 Å) | Cite: | A key piece of the puzzle: The central tetramer of the Saccharomyces cerevisiae septin protofilament and its implications for self-assembly. J.Struct.Biol., 215, 2023
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8GJU
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![BU of 8gju by Molmil](/molmil-images/mine/8gju) | Crystal structure of human methylmalonyl-CoA mutase (MMUT) in complex with methylmalonic acidemia type A protein (MMAA), coenzyme A, and GDP | Descriptor: | COENZYME A, GUANOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, ... | Authors: | Mascarenhas, R.M, Ruetz, M, Gouda, H, Yaw, M, Banerjee, R. | Deposit date: | 2023-03-16 | Release date: | 2023-08-09 | Last modified: | 2024-05-22 | Method: | X-RAY DIFFRACTION (2.79 Å) | Cite: | Architecture of the human G-protein-methylmalonyl-CoA mutase nanoassembly for B 12 delivery and repair. Nat Commun, 14, 2023
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2BFK
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![BU of 2bfk by Molmil](/molmil-images/mine/2bfk) | Bacillus cereus metallo-beta-lactamase (BcII) Arg (121) Cys mutant. Solved at pH7 using 20mM ZnSO4 in buffer. 1mM DTT was used as a reducing agent | Descriptor: | AZIDE ION, BETA-LACTAMASE II, GLYCEROL, ... | Authors: | Davies, A.M, Rasia, R.M, Vila, A.J, Sutton, B.J, Fabiane, S.M. | Deposit date: | 2004-12-07 | Release date: | 2005-03-31 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Effect of Ph on the Active Site of an Arg121Cys Mutant of the Metallo-Beta-Lactamase from Bacillus Cereus: Implications for the Enzyme Mechanism Biochemistry, 44, 2005
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2BG6
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![BU of 2bg6 by Molmil](/molmil-images/mine/2bg6) | Bacillus cereus metallo-beta-lactamase (BcII) Arg (121) Cys mutant. Solved at pH5 using 20 Micromolar ZnSO4 in the buffer. 1mM DTT was used as a reducing agent. Cys221 is oxidized. | Descriptor: | AZIDE ION, BETA-LACTAMASE II, GLYCEROL, ... | Authors: | Davies, A.M, Rasia, R.M, Vila, A.J, Sutton, B.J, Fabiane, S.M. | Deposit date: | 2004-12-17 | Release date: | 2005-03-31 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Effect of Ph on the Active Site of an Arg121Cys Mutant of the Metallo-Beta-Lactamase from Bacillus Cereus: Implications for the Enzyme Mechanism Biochemistry, 44, 2005
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8GF7
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![BU of 8gf7 by Molmil](/molmil-images/mine/8gf7) | Cryo-EM structure of serine 87 O-GlcNAc-modified alpha-synuclein fibrils | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Alpha-synuclein | Authors: | Balana, J.A, Nguyen, A.B, Saelices, L, Pratt, R.M. | Deposit date: | 2023-03-07 | Release date: | 2023-11-08 | Last modified: | 2024-05-15 | Method: | ELECTRON MICROSCOPY (4.8 Å) | Cite: | O-GlcNAc forces an alpha-synuclein amyloid strain with notably diminished seeding and pathology. Nat.Chem.Biol., 20, 2024
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2BH2
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![BU of 2bh2 by Molmil](/molmil-images/mine/2bh2) | Crystal Structure of E. coli 5-methyluridine methyltransferase RumA in complex with ribosomal RNA substrate and S-adenosylhomocysteine. | Descriptor: | 23S RIBOSOMAL RNA 1932-1968, 23S RRNA (URACIL-5-)-METHYLTRANSFERASE RUMA, IRON/SULFUR CLUSTER, ... | Authors: | Lee, T.T, Agarwalla, S, Stroud, R.M. | Deposit date: | 2005-01-06 | Release date: | 2005-03-30 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (2.15 Å) | Cite: | A Unique RNA Fold in the Ruma-RNA-Cofactor Ternary Complex Contributes to Substrate Selectivity and Enzymatic Function Cell(Cambridge,Mass.), 120, 2005
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2BG8
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![BU of 2bg8 by Molmil](/molmil-images/mine/2bg8) | Bacillus cereus metallo-beta-lactamase (BcII) Arg (121) Cys mutant. Solved at pH4.5 using 20 Micromolar ZnSO4 in the buffer. 1mM DTT and 1mM TCEP-HCl were used as reducing agents. | Descriptor: | BETA-LACTAMASE II, GLYCEROL, SULFATE ION, ... | Authors: | Davies, A.M, Rasia, R.M, Vila, A.J, Sutton, B.J, Fabiane, S.M. | Deposit date: | 2004-12-17 | Release date: | 2005-03-31 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Effect of Ph on the Active Site of an Arg121Cys Mutant of the Metallo-Beta-Lactamase from Bacillus Cereus: Implications for the Enzyme Mechanism Biochemistry, 44, 2005
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1TSY
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![BU of 1tsy by Molmil](/molmil-images/mine/1tsy) | THYMIDYLATE SYNTHASE R179K MUTANT | Descriptor: | 2'-DEOXYURIDINE 5'-MONOPHOSPHATE, THYMIDYLATE SYNTHASE | Authors: | Finer-Moore, J, Stroud, R.M. | Deposit date: | 1995-12-05 | Release date: | 1996-03-08 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Contribution of a salt bridge to binding affinity and dUMP orientation to catalytic rate: mutation of a substrate-binding arginine in thymidylate synthase. Protein Eng., 9, 1996
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1TSV
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![BU of 1tsv by Molmil](/molmil-images/mine/1tsv) | THYMIDYLATE SYNTHASE R179A MUTANT | Descriptor: | 2'-DEOXYURIDINE 5'-MONOPHOSPHATE, THYMIDYLATE SYNTHASE | Authors: | Finer-Moore, J, Stroud, R.M. | Deposit date: | 1995-12-05 | Release date: | 1996-03-08 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (2.9 Å) | Cite: | Contribution of a salt bridge to binding affinity and dUMP orientation to catalytic rate: mutation of a substrate-binding arginine in thymidylate synthase. Protein Eng., 9, 1996
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2BGA
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![BU of 2bga by Molmil](/molmil-images/mine/2bga) | Bacillus cereus metallo-beta-lactamase (BcII) Arg (121) Cys mutant. Solved at pH7 using 20 Micromolar ZnSO4 in the buffer. 1mM DTT was used as a reducing agent. Cys221 is oxidized. | Descriptor: | AZIDE ION, BETA-LACTAMASE II, GLYCEROL, ... | Authors: | Davies, A.M, Rasia, R.M, Vila, A.J, Sutton, B.J, Fabiane, S.M. | Deposit date: | 2004-12-17 | Release date: | 2005-03-31 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | Effect of Ph on the Active Site of an Arg121Cys Mutant of the Metallo-Beta-Lactamase from Bacillus Cereus: Implications for the Enzyme Mechanism Biochemistry, 44, 2005
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1HB9
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![BU of 1hb9 by Molmil](/molmil-images/mine/1hb9) | quasi-atomic resolution model of bacteriophage PRD1 wild type virion, obtained by combined cryo-EM and X-ray crystallography. | Descriptor: | BACTERIOPHAGE PRD1 | Authors: | San Martin, C, Burnett, R.M, De Haas, F, Heinkel, R, Rutten, T, Fuller, S.D, Butcher, S.J, Bamford, D.H. | Deposit date: | 2001-04-13 | Release date: | 2001-12-05 | Last modified: | 2024-05-08 | Method: | ELECTRON MICROSCOPY (25 Å) | Cite: | Combined Em/X-Ray Imaging Yields a Quasi-Atomic Model of the Adenovirus-Related Bacteriophage Prd1 and Shows Key Capsid and Membrane Interactions Structure, 9, 2001
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1HB7
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![BU of 1hb7 by Molmil](/molmil-images/mine/1hb7) | quasi-atomic resolution model of bacteriophage PRD1 sus1 mutant, obtained by combined cryo-EM and X-ray crystallography. | Descriptor: | BACTERIOPHAGE PRD1 SUS1 MUTANT CAPSID | Authors: | San Martin, C, Burnett, R.M, De Haas, F, Heinkel, R, Rutten, T, Fuller, S.D, Butcher, S.J, Bamford, D.H. | Deposit date: | 2001-04-12 | Release date: | 2001-12-05 | Last modified: | 2024-05-08 | Method: | ELECTRON MICROSCOPY (14 Å) | Cite: | Combined Em/X-Ray Imaging Yields a Quasi-Atomic Model of the Adenovirus-Related Bacteriophage Prd1 and Shows Key Capsid and Membrane Interactions. Structure, 9, 2001
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2FFH
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![BU of 2ffh by Molmil](/molmil-images/mine/2ffh) | THE SIGNAL SEQUENCE BINDING PROTEIN FFH FROM THERMUS AQUATICUS | Descriptor: | CADMIUM ION, PROTEIN (FFH), SULFATE ION | Authors: | Keenan, R.J, Freymann, D.M, Walter, P, Stroud, R.M. | Deposit date: | 1999-06-29 | Release date: | 1999-07-16 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (3.2 Å) | Cite: | Crystal structure of the signal sequence binding subunit of the signal recognition particle. Cell(Cambridge,Mass.), 94, 1998
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1TRG
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![BU of 1trg by Molmil](/molmil-images/mine/1trg) | E. COLI THYMIDYLATE SYNTHASE IN SYMMETRIC COMPLEX WITH CB3717 AND 2'-DEOXYURIDINE 5'-MONOPHOSPHATE (DUMP) | Descriptor: | 10-PROPARGYL-5,8-DIDEAZAFOLIC ACID, 2'-DEOXYURIDINE 5'-MONOPHOSPHATE, THYMIDYLATE SYNTHASE | Authors: | Stout, T.J, Sage, C.R, Stroud, R.M. | Deposit date: | 1998-05-21 | Release date: | 1998-08-12 | Last modified: | 2023-08-09 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | The additivity of substrate fragments in enzyme-ligand binding. Structure, 6, 1998
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1P30
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![BU of 1p30 by Molmil](/molmil-images/mine/1p30) | Refinement of Adenovirus Type 5 Hexon with CNS | Descriptor: | Hexon protein | Authors: | Rux, J.J, Kuser, P.R, Burnett, R.M. | Deposit date: | 2003-04-16 | Release date: | 2003-11-11 | Last modified: | 2023-08-16 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Structural and phylogenetic analysis of adenovirus hexons by use of
high-resolution x-ray crystallographic, molecular modeling, and sequence-based
methods J.VIROL., 77, 2003
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1SJS
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![BU of 1sjs by Molmil](/molmil-images/mine/1sjs) | |
2REB
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![BU of 2reb by Molmil](/molmil-images/mine/2reb) | |
1BTX
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![BU of 1btx by Molmil](/molmil-images/mine/1btx) | |
5J6A
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![BU of 5j6a by Molmil](/molmil-images/mine/5j6a) | Crystal structure of pyruvate dehydrogenase kinase isoform 2 in complex with inhibitor PS46 | Descriptor: | (3S)-3-amino-4-[4-({2-[(2,4-dihydroxyphenyl)sulfonyl]-2H-isoindol-5-yl}amino)piperidin-1-yl]-4-oxobutanamide, [Pyruvate dehydrogenase (acetyl-transferring)] kinase isozyme 2, mitochondrial | Authors: | Gui, W.J, Tso, S.C, Chuang, J.L, Wu, C.Y, Qi, X, Wynn, R.M, Chuang, D.T. | Deposit date: | 2016-04-04 | Release date: | 2017-01-25 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (2.045 Å) | Cite: | Development of Dihydroxyphenyl Sulfonylisoindoline Derivatives as Liver-Targeting Pyruvate Dehydrogenase Kinase Inhibitors. J. Med. Chem., 60, 2017
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1BTY
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![BU of 1bty by Molmil](/molmil-images/mine/1bty) | |
1BTZ
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![BU of 1btz by Molmil](/molmil-images/mine/1btz) | |
5K0B
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![BU of 5k0b by Molmil](/molmil-images/mine/5k0b) | Crystal Structure of COMT in complex with 2,4-dimethyl-5-[3-(1-phenylethyl)-1H-pyrazol-5-yl]-1,3-thiazole | Descriptor: | 1,2-ETHANEDIOL, 2,4-dimethyl-5-{3-[(1R)-1-phenylethyl]-1H-pyrazol-5-yl}-1,3-thiazole, 3-CYCLOHEXYL-1-PROPYLSULFONIC ACID, ... | Authors: | Ehler, A, Rodriguez-Sarmiento, R.M, Rudolph, M.G. | Deposit date: | 2016-05-17 | Release date: | 2016-09-07 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (2.36 Å) | Cite: | Design of Potent and Druglike Nonphenolic Inhibitors for Catechol O-Methyltransferase Derived from a Fragment Screening Approach Targeting the S-Adenosyl-l-methionine Pocket. J. Med. Chem., 59, 2016
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5K0L
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![BU of 5k0l by Molmil](/molmil-images/mine/5k0l) | Crystal Structure of COMT in complex with 5-[5-[1-(4-methoxyphenyl)cyclopropyl]-1H-pyrazol-3-yl]-2,4-dimethyl-1,3-thiazole | Descriptor: | 2-[N-CYCLOHEXYLAMINO]ETHANE SULFONIC ACID, 5-{3-[1-(4-methoxyphenyl)cyclopropyl]-1H-pyrazol-5-yl}-2,4-dimethyl-1,3-thiazole, Catechol O-methyltransferase, ... | Authors: | Ehler, A, Rodriguez-Sarmiento, R.M, Rudolph, M.G. | Deposit date: | 2016-05-17 | Release date: | 2016-09-07 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (2.02 Å) | Cite: | Design of Potent and Druglike Nonphenolic Inhibitors for Catechol O-Methyltransferase Derived from a Fragment Screening Approach Targeting the S-Adenosyl-l-methionine Pocket. J. Med. Chem., 59, 2016
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