8ESS
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![BU of 8ess by Molmil](/molmil-images/mine/8ess) | Myoglobin variant Mb-cIII complex | Descriptor: | Myoglobin, SULFATE ION, [2,18-bis(2-carboxyethyl)-7,12-diethenyl-3,8,13,17-tetramethyl-21-(2-oxo-3-phenylpropyl)porphyrin-21-iumato(2-)-kappa~3~N~22~,N~23~,N~24~]iron(2+) | Authors: | Bacik, J.P, Fasan, R, Ando, N. | Deposit date: | 2022-10-14 | Release date: | 2023-12-06 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (1.4 Å) | Cite: | Mechanistic manifold in a hemoprotein-catalyzed cyclopropanation reaction with diazoketone. Nat Commun, 14, 2023
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8ESU
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![BU of 8esu by Molmil](/molmil-images/mine/8esu) | Myoglobin variant Mb-imi complex | Descriptor: | IMIDAZOLE, Myoglobin, PROTOPORPHYRIN IX CONTAINING FE, ... | Authors: | Bacik, J.P, Fasan, R, Ando, N. | Deposit date: | 2022-10-14 | Release date: | 2023-12-06 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (1.04 Å) | Cite: | Mechanistic manifold in a hemoprotein-catalyzed cyclopropanation reaction with diazoketone. Nat Commun, 14, 2023
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4YH5
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![BU of 4yh5 by Molmil](/molmil-images/mine/4yh5) | Lipomyces starkeyi levoglucosan kinase bound to ADP and Manganese | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, ADENOSINE-5'-DIPHOSPHATE, Levoglucosan kinase, ... | Authors: | Bacik, J.P. | Deposit date: | 2015-02-26 | Release date: | 2015-09-16 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Producing Glucose 6-Phosphate from Cellulosic Biomass: STRUCTURAL INSIGHTS INTO LEVOGLUCOSAN BIOCONVERSION. J.Biol.Chem., 290, 2015
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6UYK
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![BU of 6uyk by Molmil](/molmil-images/mine/6uyk) | Dark-operative protochlorophyllide oxidoreductase in the nucleotide-free form. | Descriptor: | CHLORIDE ION, IRON/SULFUR CLUSTER, Light-independent protochlorophyllide reductase iron-sulfur ATP-binding protein | Authors: | Bacik, J.P, Imran, S.M.S, Watkins, M.B, Corless, E, Antony, E, Ando, N. | Deposit date: | 2019-11-13 | Release date: | 2020-12-02 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | The flexible N-terminus of BchL autoinhibits activity through interaction with its [4Fe-4S] cluster and released upon ATP binding. J.Biol.Chem., 296, 2020
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3I2V
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![BU of 3i2v by Molmil](/molmil-images/mine/3i2v) | Crystal structure of human MOCS3 rhodanese-like domain | Descriptor: | Adenylyltransferase and sulfurtransferase MOCS3 | Authors: | Bacik, J.P, Walker, J.R, Lopez, L, Li, Y, Weigelt, J, Bountra, C, Arrowsmith, C.H, Edwards, A.M, Bochkarev, A, Dhe-Paganon, S, Structural Genomics Consortium (SGC) | Deposit date: | 2009-06-29 | Release date: | 2009-07-21 | Last modified: | 2011-07-13 | Method: | X-RAY DIFFRACTION (1.25 Å) | Cite: | Crystal structure of the human MOCS3 rhodanese-like domain To be Published
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3JYU
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![BU of 3jyu by Molmil](/molmil-images/mine/3jyu) | Crystal structure of the N-terminal domains of the ubiquitin specific peptidase 4 (USP4) | Descriptor: | 3-PYRIDINIUM-1-YLPROPANE-1-SULFONATE, Ubiquitin carboxyl-terminal hydrolase | Authors: | Bacik, J.P, Avvakumov, G, Walker, J.R, Xue, S, Arrowsmith, C.H, Edwards, A.M, Bochkarev, A, Dhe-Paganon, S, Structural Genomics Consortium (SGC) | Deposit date: | 2009-09-22 | Release date: | 2009-10-20 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2.37 Å) | Cite: | Crystal structure of the N-terminal domains of the ubiquitin specific peptidase 4 (USP4) To be Published
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4MO4
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![BU of 4mo4 by Molmil](/molmil-images/mine/4mo4) | Crystal structure of AnmK bound to AMPPCP | Descriptor: | Anhydro-N-acetylmuramic acid kinase, PHOSPHOMETHYLPHOSPHONIC ACID ADENYLATE ESTER | Authors: | Bacik, J.P, Mark, B.L. | Deposit date: | 2013-09-11 | Release date: | 2014-01-01 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (1.67 Å) | Cite: | Conformational Itinerary of Pseudomonas aeruginosa 1,6-Anhydro-N-acetylmuramic Acid Kinase during Its Catalytic Cycle. J.Biol.Chem., 289, 2014
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4MO5
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![BU of 4mo5 by Molmil](/molmil-images/mine/4mo5) | Crystal structure of AnmK bound to AMPPCP and anhMurNAc | Descriptor: | 2-(2-ACETYLAMINO-4-HYDROXY-6,8-DIOXA-BICYCLO[3.2.1]OCT-3-YLOXY)-PROPIONIC ACID, Anhydro-N-acetylmuramic acid kinase, MAGNESIUM ION, ... | Authors: | Bacik, J.P, Mark, B.L. | Deposit date: | 2013-09-11 | Release date: | 2014-01-01 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (1.75 Å) | Cite: | Conformational Itinerary of Pseudomonas aeruginosa 1,6-Anhydro-N-acetylmuramic Acid Kinase during Its Catalytic Cycle. J.Biol.Chem., 289, 2014
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2HZE
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![BU of 2hze by Molmil](/molmil-images/mine/2hze) | |
7SPE
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![BU of 7spe by Molmil](/molmil-images/mine/7spe) | |
7SPF
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![BU of 7spf by Molmil](/molmil-images/mine/7spf) | Crystal structure of sperm whale myoglobin variant sMb5(pCaaF) | Descriptor: | Myoglobin, NITRATE ION, OXYGEN MOLECULE, ... | Authors: | Bacik, J.P, Fasan, R, Ando, N. | Deposit date: | 2021-11-02 | Release date: | 2022-06-01 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (1.17 Å) | Cite: | Tuning Enzyme Thermostability via Computationally Guided Covalent Stapling and Structural Basis of Enhanced Stabilization. Biochemistry, 61, 2022
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7SPG
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![BU of 7spg by Molmil](/molmil-images/mine/7spg) | Crystal structure of sperm whale myoglobin variant sMb13(pCaaF) in space group P212121 | Descriptor: | CHLORIDE ION, Myoglobin, PROTOPORPHYRIN IX CONTAINING FE, ... | Authors: | Bacik, J.P, Fasan, R, Ando, N. | Deposit date: | 2021-11-02 | Release date: | 2022-06-01 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (1.3 Å) | Cite: | Tuning Enzyme Thermostability via Computationally Guided Covalent Stapling and Structural Basis of Enhanced Stabilization. Biochemistry, 61, 2022
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7SPH
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![BU of 7sph by Molmil](/molmil-images/mine/7sph) | Crystal structure of sperm whale myoglobin variant sMb13(pCaaF) in space group P21 | Descriptor: | Myoglobin, OXYGEN MOLECULE, PROTOPORPHYRIN IX CONTAINING FE, ... | Authors: | Bacik, J.P, Fasan, R, Ando, N. | Deposit date: | 2021-11-02 | Release date: | 2022-06-01 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (1.3 Å) | Cite: | Tuning Enzyme Thermostability via Computationally Guided Covalent Stapling and Structural Basis of Enhanced Stabilization. Biochemistry, 61, 2022
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2HZF
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![BU of 2hzf by Molmil](/molmil-images/mine/2hzf) | |
5TKR
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![BU of 5tkr by Molmil](/molmil-images/mine/5tkr) | Crystal structure of a Lipomyces starkeyi levoglucosan kinase G359R mutant | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, Levoglucosan kinase, MAGNESIUM ION, ... | Authors: | Bacik, J.P, Klesmith, J.R, Michalczyk, R, Whitehead, T.A. | Deposit date: | 2016-10-07 | Release date: | 2017-02-08 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Trade-offs between enzyme fitness and solubility illuminated by deep mutational scanning. Proc. Natl. Acad. Sci. U.S.A., 114, 2017
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3QBX
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![BU of 3qbx by Molmil](/molmil-images/mine/3qbx) | Crystal structure of pseudomonas aeruginosa 1,6-anhydro-n-actetylmuramic acid kinase (ANMK) bound to 1,6-anhydro-n-actetylmuramic acid | Descriptor: | 2-(2-ACETYLAMINO-4-HYDROXY-6,8-DIOXA-BICYCLO[3.2.1]OCT-3-YLOXY)-PROPIONIC ACID, Anhydro-N-acetylmuramic acid kinase, SULFATE ION | Authors: | Bacik, J.P, Martin, D.R, Mark, B.L. | Deposit date: | 2011-01-14 | Release date: | 2011-02-02 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Molecular Basis of 1,6-Anhydro Bond Cleavage and Phosphoryl Transfer by Pseudomonas aeruginosa 1,6-Anhydro-N-acetylmuramic Acid Kinase. J.Biol.Chem., 286, 2011
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3PSE
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![BU of 3pse by Molmil](/molmil-images/mine/3pse) | Structure of a viral OTU domain protease bound to interferon-stimulated gene 15 (ISG15) | Descriptor: | 1.7.6 3-bromanylpropan-1-amine, GLYCEROL, RNA polymerase, ... | Authors: | Bacik, J.P, James, T.W, Frias-Staheli, N, Garcia-Sastre, A, Mark, B.L. | Deposit date: | 2010-12-01 | Release date: | 2011-01-19 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Structural basis for the removal of ubiquitin and interferon-stimulated gene 15 by a viral ovarian tumor domain-containing protease. Proc.Natl.Acad.Sci.USA, 108, 2011
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3QBW
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![BU of 3qbw by Molmil](/molmil-images/mine/3qbw) | Crystal structure of pseudomonas aeruginosa 1,6-anhydro-n-actetylmuramic acid kinase (ANMK) bound to adenosine diphosphate | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, Anhydro-N-acetylmuramic acid kinase, SULFATE ION | Authors: | Bacik, J.P, Martin, D.R, Mark, B.L. | Deposit date: | 2011-01-14 | Release date: | 2011-02-02 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (2.23 Å) | Cite: | Molecular Basis of 1,6-Anhydro Bond Cleavage and Phosphoryl Transfer by Pseudomonas aeruginosa 1,6-Anhydro-N-acetylmuramic Acid Kinase. J.Biol.Chem., 286, 2011
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6M8F
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![BU of 6m8f by Molmil](/molmil-images/mine/6m8f) | Engineered sperm whale myoglobin-based carbene transferase | Descriptor: | Myoglobin, PROTOPORPHYRIN IX CONTAINING FE, SULFATE ION, ... | Authors: | Bacik, J.P, Ando, N, Fasan, R. | Deposit date: | 2018-08-21 | Release date: | 2019-01-23 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (1.1 Å) | Cite: | Origin of high stereocontrol in olefin cyclopropanation catalyzed by an engineered carbene transferase. Acs Catalysis, 9, 2019
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4ZFV
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![BU of 4zfv by Molmil](/molmil-images/mine/4zfv) | Lipomyces starkeyi levoglucosan kinase bound to ADP and magnesium. | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, ADENOSINE-5'-DIPHOSPHATE, Levoglucosan kinase, ... | Authors: | Bacik, J.P. | Deposit date: | 2015-04-21 | Release date: | 2015-09-16 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | Producing Glucose 6-Phosphate from Cellulosic Biomass: STRUCTURAL INSIGHTS INTO LEVOGLUCOSAN BIOCONVERSION. J.Biol.Chem., 290, 2015
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5BSB
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![BU of 5bsb by Molmil](/molmil-images/mine/5bsb) | Lipomyces starkeyi levoglucosan kinase bound to levoglucosan | Descriptor: | Levoglucosan, Levoglucosan kinase, SULFATE ION | Authors: | Bacik, J.P. | Deposit date: | 2015-06-01 | Release date: | 2015-09-16 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (1.85 Å) | Cite: | Producing Glucose 6-Phosphate from Cellulosic Biomass: STRUCTURAL INSIGHTS INTO LEVOGLUCOSAN BIOCONVERSION. J.Biol.Chem., 290, 2015
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4ZLU
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![BU of 4zlu by Molmil](/molmil-images/mine/4zlu) | |
5BVC
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![BU of 5bvc by Molmil](/molmil-images/mine/5bvc) | |
4ZXZ
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![BU of 4zxz by Molmil](/molmil-images/mine/4zxz) | |
4HZM
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![BU of 4hzm by Molmil](/molmil-images/mine/4hzm) | Crystal structure of Salmonella typhimurium family 3 glycoside hydrolase (NagZ) bound to N-[(3S,4R,5R,6R)-4,5-dihydroxy-6-(hydroxymethyl)piperidin-3-yl]butanamide | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, Beta-hexosaminidase, N-[(3S,4R,5R,6R)-4,5-dihydroxy-6-(hydroxymethyl)piperidin-3-yl]butanamide | Authors: | Bacik, J.P, Mark, B.L. | Deposit date: | 2012-11-15 | Release date: | 2013-06-19 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (1.45 Å) | Cite: | The Development of Selective Inhibitors of NagZ: Increased Susceptibility of Gram-Negative Bacteria to beta-Lactams. Chembiochem, 14, 2013
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