5O30
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![BU of 5o30 by Molmil](/molmil-images/mine/5o30) | |
2CJ0
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![BU of 2cj0 by Molmil](/molmil-images/mine/2cj0) | chloroperoxidase complexed with nitrate | Descriptor: | 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | Authors: | Kuhnel, K, Blankenfeldt, W, Terner, J, Schlichting, I. | Deposit date: | 2006-03-26 | Release date: | 2006-06-12 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (1.75 Å) | Cite: | Crystal Structures of Chloroperoxidase with its Bound Substrates and Complexed with Formate, Acetate, and Nitrate. J.Biol.Chem., 281, 2006
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2CIY
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![BU of 2ciy by Molmil](/molmil-images/mine/2ciy) | Chloroperoxidase complexed with cyanide and DMSO | Descriptor: | 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | Authors: | Kuhnel, K, Blankenfeldt, W, Terner, J, Schlichting, I. | Deposit date: | 2006-03-26 | Release date: | 2006-06-12 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Crystal Structures of Chloroperoxidase with its Bound Substrates and Complexed with Formate, Acetate, and Nitrate. J.Biol.Chem., 281, 2006
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6BTH
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![BU of 6bth by Molmil](/molmil-images/mine/6bth) | Crystal structure of human cellular retinol binding protein 2 (CRBP2) in complex with 2-arachidonoylglycerol (2-AG) | Descriptor: | 1,3-dihydroxypropan-2-yl (5Z,8Z,11Z,14Z)-icosa-5,8,11,14-tetraenoate, DI(HYDROXYETHYL)ETHER, Retinol-binding protein 2 | Authors: | Silvaroli, J.A, Blaner, W.S, Lodowski, D.T, Golczak, M. | Deposit date: | 2017-12-06 | Release date: | 2018-12-12 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (1.35 Å) | Cite: | Retinol-binding protein 2 (RBP2) binds monoacylglycerols and modulates gut endocrine signaling and body weight. Sci Adv, 6, 2020
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6U9J
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![BU of 6u9j by Molmil](/molmil-images/mine/6u9j) | Crystal structure of ChuX | Descriptor: | Heme utilization carrier protein, IMIDAZOLE, PHOSPHATE ION, ... | Authors: | Mathew, L.G, Lanzilotta, W.N. | Deposit date: | 2019-09-09 | Release date: | 2020-09-09 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | New Insight into the Mechanism of Anaerobic Heme Degradation. Biochemistry, 58, 2019
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5KOT
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![BU of 5kot by Molmil](/molmil-images/mine/5kot) | Discovery of TAK-272: A Novel, Potent and Orally Active Renin In-hibitor | Descriptor: | 1-(4-methoxybutyl)-~{N}-(2-methylpropyl)-~{N}-[(3~{S},5~{R})-5-morpholin-4-ylcarbonylpiperidin-3-yl]benzimidazole-2-carboxamide, 2-acetamido-2-deoxy-beta-D-glucopyranose, DI(HYDROXYETHYL)ETHER, ... | Authors: | Snell, G.P, Behnke, C.A, Okada, K, Hideyuki, O, Sang, B.-C, Lane, W. | Deposit date: | 2016-07-01 | Release date: | 2017-07-05 | Last modified: | 2020-07-29 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Discovery of TAK-272: A Novel, Potent and Orally Active Renin Inhibitor To be published
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6R6U
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![BU of 6r6u by Molmil](/molmil-images/mine/6r6u) | Crystal structure of human cis-aconitate decarboxylase | Descriptor: | (R,R)-2,3-BUTANEDIOL, Cis-aconitate decarboxylase, SODIUM ION | Authors: | Lukat, P, Chen, F, Saile, K, Buessow, K, Pessler, F, Blankenfeldt, W. | Deposit date: | 2019-03-28 | Release date: | 2019-09-25 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.705 Å) | Cite: | Crystal structure ofcis-aconitate decarboxylase reveals the impact of naturally occurring human mutations on itaconate synthesis. Proc.Natl.Acad.Sci.USA, 116, 2019
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1OWH
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![BU of 1owh by Molmil](/molmil-images/mine/1owh) | Substituted 2-Naphthamidine Inhibitors of Urokinase | Descriptor: | 6-[(Z)-AMINO(IMINO)METHYL]-N-[4-(AMINOMETHYL)PHENYL]-2-NAPHTHAMIDE, SULFATE ION, Urokinase-type plasminogen activator | Authors: | Wendt, M.D, Rockway, T.W, Geyer, A, McClellan, W, Weitzberg, M, Zhao, X, Mantei, R, Nienaber, V.L, Stewart, K, Klinghofer, V, Giranda, V.L. | Deposit date: | 2003-03-28 | Release date: | 2003-09-30 | Last modified: | 2017-10-11 | Method: | X-RAY DIFFRACTION (1.61 Å) | Cite: | Identification of Novel Binding Interactions in the Development of Potent, Selective 2-Naphthamidine Inhibitors of Urokinase. Synthesis, Structural Analysis, and SAR of N-Phenyl Amide 6-Substitution. J.Med.Chem., 47, 2004
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3C72
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![BU of 3c72 by Molmil](/molmil-images/mine/3c72) | Engineered RabGGTase in complex with a peptidomimetic inhibitor | Descriptor: | CALCIUM ION, Geranylgeranyl transferase type-2 subunit alpha, Geranylgeranyl transferase type-2 subunit beta, ... | Authors: | Guo, Z, Wu, Y.W, Tan, K.T, Bon, R.S, Guiu-Rozas, E, Delon, C, Nguyen, U.T, Wetzel, S, Arndt, S, Goody, R.S, Blankenfeldt, W, Alexandrov, K, Waldmann, H. | Deposit date: | 2008-02-06 | Release date: | 2008-07-22 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Development of selective RabGGTase inhibitors and crystal structure of a RabGGTase-inhibitor complex. Angew.Chem.Int.Ed.Engl., 47, 2008
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3PZA
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![BU of 3pza by Molmil](/molmil-images/mine/3pza) | Fully Reduced (All-ferrous) Pyrococcus rubrerythrin after a 10 second exposure to peroxide. | Descriptor: | FE (II) ION, HYDROGEN PEROXIDE, Rubrerythrin | Authors: | Dillard, B.D, Demick, J.M, Adams, M.W, Lanzilotta, W.N. | Deposit date: | 2010-12-14 | Release date: | 2011-06-22 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (1.85 Å) | Cite: | A cryo-crystallographic time course for peroxide reduction by rubrerythrin from Pyrococcus furiosus. J.Biol.Inorg.Chem., 16, 2011
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2HRE
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![BU of 2hre by Molmil](/molmil-images/mine/2hre) | Structure of human ferrochelatase variant E343K with protoporphyrin IX bound | Descriptor: | CHOLIC ACID, FE2/S2 (INORGANIC) CLUSTER, Ferrochelatase, ... | Authors: | Medlock, A, Swartz, L, Dailey, T.A, Dailey, H.A, Lanzilotta, W.N. | Deposit date: | 2006-07-20 | Release date: | 2007-03-13 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Substrate interactions with human ferrochelatase Proc.Natl.Acad.Sci.Usa, 104, 2007
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1OWE
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![BU of 1owe by Molmil](/molmil-images/mine/1owe) | Substituted 2-Naphthamidine inhibitors of urokinase | Descriptor: | 6-[(Z)-AMINO(IMINO)METHYL]-N-PHENYL-2-NAPHTHAMIDE, SULFATE ION, Urokinase-type plasminogen activator | Authors: | Wendt, M.D, Rockway, T.W, Geyer, A, McClellan, W, Weitzberg, M, Zhao, X, Mantei, R, Nienaber, V.L, Stewart, K, Klinghofer, V, Giranda, V.L. | Deposit date: | 2003-03-28 | Release date: | 2003-09-30 | Last modified: | 2017-10-11 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Identification of Novel Binding Interactions in the Development of Potent, Selective 2-Naphthamidine Inhibitors of Urokinase. Synthesis, Structural Analysis, and SAR of N-Phenyl Amide 6-Substitution. J.Med.Chem., 47, 2004
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1OWI
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![BU of 1owi by Molmil](/molmil-images/mine/1owi) | Substituted 2-Naphthamidine Inhibitors of Urokinase | Descriptor: | 6-[(Z)-AMINO(IMINO)METHYL]-N-[3-(CYCLOPENTYLOXY)PHENYL]-2-NAPHTHAMIDE, Urokinase-type plasminogen activator | Authors: | Wendt, M.D, Rockway, T.W, Geyer, A, McClellan, W, Weitzberg, M, Zhao, X, Mantei, R, Nienaber, V.L, Stewart, K, Klinghofer, V, Giranda, V.L. | Deposit date: | 2003-03-28 | Release date: | 2003-09-30 | Last modified: | 2017-10-11 | Method: | X-RAY DIFFRACTION (2.93 Å) | Cite: | Identification of Novel Binding Interactions in the Development of Potent, Selective 2-Naphthamidine Inhibitors of Urokinase. Synthesis, Structural Analysis, and SAR of N-Phenyl Amide 6-Substitution. J.Med.Chem., 47, 2004
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2KTT
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![BU of 2ktt by Molmil](/molmil-images/mine/2ktt) | Solution Structure of a Covalently Bound Pyrrolo[2,1-c][1,4]benzodiazepine-Benzimidazole Hybrid to a 10mer DNA Duplex | Descriptor: | (11aS)-7-methoxy-8-(3-{4-[6-(4-methylpiperazin-1-yl)-1H-benzimidazol-2-yl]phenoxy}propoxy)-1,2,3,10,11,11a-hexahydro-5H-pyrrolo[2,1-c][1,4]benzodiazepin-5-one, 5'-D(*AP*AP*CP*AP*AP*TP*TP*GP*TP*T)-3' | Authors: | Rettig, M, Weingarth, M, Langel, W, Kamal, A, Kumar, P.P, Weisz, K. | Deposit date: | 2010-02-08 | Release date: | 2010-03-09 | Last modified: | 2024-05-01 | Method: | SOLUTION NMR | Cite: | Solution structure of a covalently bound pyrrolo[2,1-c][1,4]benzodiazepine-benzimidazole hybrid to a 10mer DNA duplex. Biochemistry, 48, 2009
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2KY7
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![BU of 2ky7 by Molmil](/molmil-images/mine/2ky7) | NMR Structural Studies on the Covalent DNA Binding of a Pyrrolobenzodiazepine-Naphthalimide Conjugate | Descriptor: | 2-{2-[4-(3-{[(11aS)-7-methoxy-5-oxo-2,3,5,10,11,11a-hexahydro-1H-pyrrolo[2,1-c][1,4]benzodiazepin-8-yl]oxy}propyl)piperazin-1-yl]ethyl}-1H-benzo[de]isoquinoline-1,3(2H)-dione, 5'-D(*AP*AP*CP*AP*AP*TP*TP*GP*TP*T)-3' | Authors: | Rettig, M, Langel, W, Kamal, A, Weisz, K. | Deposit date: | 2010-05-17 | Release date: | 2010-06-02 | Last modified: | 2024-05-01 | Method: | SOLUTION NMR | Cite: | NMR structural studies on the covalent DNA binding of a pyrrolobenzodiazepine-naphthalimide conjugate Org.Biomol.Chem., 8, 2010
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2CJ1
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![BU of 2cj1 by Molmil](/molmil-images/mine/2cj1) | chloroperoxidase complexed with formate (ethylene glycol cryoprotectant) | Descriptor: | 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | Authors: | Kuhnel, K, Blankenfeldt, W, Terner, J, Schlichting, I. | Deposit date: | 2006-03-26 | Release date: | 2006-06-12 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Crystal Structures of Chloroperoxidase with its Bound Substrates and Complexed with Formate, Acetate, and Nitrate. J.Biol.Chem., 281, 2006
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2CIX
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![BU of 2cix by Molmil](/molmil-images/mine/2cix) | chloroperoxidase complexed with cyclopentanedione | Descriptor: | 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | Authors: | Kuhnel, K, Blankenfeldt, W, Terner, J, Schlichting, I. | Deposit date: | 2006-03-26 | Release date: | 2006-06-12 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Crystal Structures of Chloroperoxidase with its Bound Substrates and Complexed with Formate, Acetate, and Nitrate. J.Biol.Chem., 281, 2006
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2Q0I
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![BU of 2q0i by Molmil](/molmil-images/mine/2q0i) | Structure of Pseudomonas Quinolone Signal Response Protein PqsE | Descriptor: | BENZOIC ACID, FE (III) ION, Quinolone signal response protein | Authors: | Yu, S, Jensen, V, Feldmann, I, Haussler, S, Blankenfeldt, W. | Deposit date: | 2007-05-22 | Release date: | 2008-06-03 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (1.57 Å) | Cite: | Structure elucidation and preliminary assessment of hydrolase activity of PqsE, the Pseudomonas quinolone signal (PQS) response protein. Biochemistry, 48, 2009
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2Q0J
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![BU of 2q0j by Molmil](/molmil-images/mine/2q0j) | Structure of Pseudomonas Quinolone Signal Response Protein PqsE | Descriptor: | BENZOIC ACID, FE (III) ION, Quinolone signal response protein | Authors: | Yu, S, Jensen, V, Feldmann, I, Haussler, S, Blankenfeldt, W. | Deposit date: | 2007-05-22 | Release date: | 2008-06-03 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Structure elucidation and preliminary assessment of hydrolase activity of PqsE, the Pseudomonas quinolone signal (PQS) response protein. Biochemistry, 48, 2009
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3PWF
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![BU of 3pwf by Molmil](/molmil-images/mine/3pwf) | High resolution structure of the fully reduced form of rubrerythrin from P. furiosus | Descriptor: | FE (II) ION, Rubrerythrin | Authors: | Dillard, B.D, Demick, J.M, Adams, M.W, Lanzilotta, W.N. | Deposit date: | 2010-12-08 | Release date: | 2011-06-22 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (1.64 Å) | Cite: | A cryo-crystallographic time course for peroxide reduction by rubrerythrin from Pyrococcus furiosus. J.Biol.Inorg.Chem., 16, 2011
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2QD3
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![BU of 2qd3 by Molmil](/molmil-images/mine/2qd3) | Wild type human ferrochelatase crystallized with ammonium sulfate | Descriptor: | CHOLIC ACID, FE2/S2 (INORGANIC) CLUSTER, Ferrochelatase, ... | Authors: | Medlock, A.E, Dailey, T.A, Ross, T.A, Dailey, H.A, Lanzilotta, W.N. | Deposit date: | 2007-06-20 | Release date: | 2007-10-30 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | A pi-Helix Switch Selective for Porphyrin Deprotonation and Product Release in Human Ferrochelatase. J.Mol.Biol., 373, 2007
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2FL0
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![BU of 2fl0 by Molmil](/molmil-images/mine/2fl0) | Oxidized (All ferric) form of the Azotobacter vinelandii bacterioferritin | Descriptor: | Bacterioferritin, FE (II) ION, MAGNESIUM ION, ... | Authors: | Swartz, L, Kunchinskas, K, Li, H, Poulos, T.L, Lanzilotta, W.N. | Deposit date: | 2006-01-05 | Release date: | 2006-04-04 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | Redox-Dependent Structural Changes in the Azotobacter vinelandii Bacterioferritin: New Insights into the Ferroxidase and Iron Transport Mechanism(,). Biochemistry, 45, 2006
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3HCO
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![BU of 3hco by Molmil](/molmil-images/mine/3hco) | Human ferrochelatase with Cd and protoporphyrin IX bound | Descriptor: | BICARBONATE ION, CHOLIC ACID, FE2/S2 (INORGANIC) CLUSTER, ... | Authors: | Medlock, A.E, Dailey, H.A, Lanzilotta, W.N. | Deposit date: | 2009-05-06 | Release date: | 2009-11-10 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Product release rather than chelation determines metal specificity for ferrochelatase. J.Mol.Biol., 393, 2009
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2CIV
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![BU of 2civ by Molmil](/molmil-images/mine/2civ) | Chloroperoxidase bromide complex | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, BROMIDE ION, CHLOROPEROXIDASE, ... | Authors: | Kuhnel, K, Blankenfeldt, W, Terner, J, Schlichting, I. | Deposit date: | 2006-03-26 | Release date: | 2006-06-12 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Crystal Structures of Chloroperoxidase with its Bound Substrates and Complexed with Formate, Acetate, and Nitrate. J.Biol.Chem., 281, 2006
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2P7V
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![BU of 2p7v by Molmil](/molmil-images/mine/2p7v) | Crystal structure of the Escherichia coli regulator of sigma 70, Rsd, in complex with sigma 70 domain 4 | Descriptor: | MAGNESIUM ION, RNA polymerase sigma factor rpoD, Regulator of sigma D | Authors: | Patikoglou, G.A, Westblade, L.F, Campbell, E.A, Lamour, V, Lane, W.J, Darst, S.A. | Deposit date: | 2007-03-20 | Release date: | 2007-08-21 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | Crystal structure of the Escherichia coli regulator of sigma70, Rsd, in complex with sigma70 domain 4. J.Mol.Biol., 372, 2007
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