3NLT
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![BU of 3nlt by Molmil](/molmil-images/mine/3nlt) | Structure of endothelial nitric oxide synthase heme domain complexed with N1-{(3'S,4'S)-4'-[(6"-amino-4"-methylpyridin-2"-yl)methyl]pyrrolidin-3'-yl}- N2-(3'-fluorophenethyl)ethane-1,2-diamine tetrahydrochloride | Descriptor: | 5,6,7,8-TETRAHYDROBIOPTERIN, 6-({(3S,4S)-4-[2-({2,2-difluoro-2-[(2R)-piperidin-2-yl]ethyl}amino)ethoxy]pyrrolidin-3-yl}methyl)-4-methylpyridin-2-amine, CACODYLIC ACID, ... | Authors: | Xue, F, Li, H, Fang, J, Delker, S.L, Poulos, T.L, Silverman, R.B. | Deposit date: | 2010-06-21 | Release date: | 2011-01-19 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (2.74 Å) | Cite: | Potent, highly selective, and orally bioavailable gem-difluorinated monocationic inhibitors of neuronal nitric oxide synthase. J.Am.Chem.Soc., 132, 2010
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4F79
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![BU of 4f79 by Molmil](/molmil-images/mine/4f79) | The crystal structure of 6-phospho-beta-glucosidase mutant (E375Q) in complex with Salicin 6-phosphate | Descriptor: | 2-(hydroxymethyl)phenyl 6-O-phosphono-beta-D-glucopyranoside, GLYCEROL, Putative phospho-beta-glucosidase | Authors: | Tan, K, Michalska, K, Li, H, Jedrzejczak, R, Joachimiak, A, Midwest Center for Structural Genomics (MCSG) | Deposit date: | 2012-05-15 | Release date: | 2012-06-13 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (2.54 Å) | Cite: | GH1-family 6-P-beta-glucosidases from human microbiome lactic acid bacteria. Acta Crystallogr. D Biol. Crystallogr., 69, 2013
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4FB2
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![BU of 4fb2 by Molmil](/molmil-images/mine/4fb2) | Crystal Structure of Substrate-Free P450cin | Descriptor: | 1,2-ETHANEDIOL, CHLORIDE ION, P450cin, ... | Authors: | Madrona, Y, Tripathi, S.M, Li, H, Poulos, T.L. | Deposit date: | 2012-05-22 | Release date: | 2012-07-18 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (1.37 Å) | Cite: | Crystal structures of substrate-free and nitrosyl cytochrome p450cin: implications for o(2) activation. Biochemistry, 51, 2012
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1MMV
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![BU of 1mmv by Molmil](/molmil-images/mine/1mmv) | Rat neuronal NOS heme domain with NG-propyl-L-arginine bound | Descriptor: | 5,6,7,8-TETRAHYDROBIOPTERIN, ACETATE ION, N-OMEGA-PROPYL-L-ARGININE, ... | Authors: | Bretscher, L.E, Li, H, Poulos, T.L, Griffith, O.W. | Deposit date: | 2002-09-04 | Release date: | 2003-09-16 | Last modified: | 2011-07-13 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Structural characterization and kinetics of nitric-oxide synthase inhibition by novel N5-(iminoalkyl)- and N5-(iminoalkenyl)-ornithines J.Biol.Chem., 278, 2003
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1NSE
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![BU of 1nse by Molmil](/molmil-images/mine/1nse) | BOVINE ENDOTHELIAL NITRIC OXIDE SYNTHASE | Descriptor: | 5,6,7,8-TETRAHYDROBIOPTERIN, ACETATE ION, CACODYLATE ION, ... | Authors: | Raman, C.S, Li, H, Martasek, P, Kral, V, Masters, B.S.S, Poulos, T.L. | Deposit date: | 1998-05-14 | Release date: | 1999-05-18 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Crystal structure of constitutive endothelial nitric oxide synthase: a paradigm for pterin function involving a novel metal center. Cell(Cambridge,Mass.), 95, 1998
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5IEU
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![BU of 5ieu by Molmil](/molmil-images/mine/5ieu) | Crystal Structure of Mycobacterium Tuberculosis ATP-independent Proteasome Activator Tetramer | Descriptor: | Bacterial proteasome activator | Authors: | Bai, L, Hu, K, Wang, T, Jastrab, J.B, Darwin, K.H, Li, H. | Deposit date: | 2016-02-25 | Release date: | 2016-03-30 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Structural analysis of the dodecameric proteasome activator PafE in Mycobacterium tuberculosis. Proc.Natl.Acad.Sci.USA, 113, 2016
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6L5Z
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![BU of 6l5z by Molmil](/molmil-images/mine/6l5z) | |
1OQQ
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![BU of 1oqq by Molmil](/molmil-images/mine/1oqq) | Crystal structure of C73S/C85S mutant of putidaredoxin, a [2Fe-2S] ferredoxin from Pseudomonas putida, at 1.47A resolution | Descriptor: | FE2/S2 (INORGANIC) CLUSTER, Putidaredoxin | Authors: | Sevrioukova, I.F, Garcia, C, Li, H, Bhaskar, B, Poulos, T.L. | Deposit date: | 2003-03-10 | Release date: | 2003-11-04 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (1.47 Å) | Cite: | Crystal structure of putidaredoxin, the [2Fe-2S] component of the P450cam monooxygenase system from Pseudomonas putida J.MOL.BIOL., 333, 2003
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1OZL
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![BU of 1ozl by Molmil](/molmil-images/mine/1ozl) | Crystal Structures of the Ferric, Ferrous, and Ferrous-NO Forms of the Asp140Ala Mutant of Human Heme Oxygenase-1: Catalytic Implications | Descriptor: | Heme oxygenase 1, NITRIC OXIDE, PROTOPORPHYRIN IX CONTAINING FE | Authors: | Lad, L, Wang, J, Li, H, Friedman, J, Ortiz de Montellano, P.R, Poulos, T.L. | Deposit date: | 2003-04-09 | Release date: | 2003-08-05 | Last modified: | 2023-08-16 | Method: | X-RAY DIFFRACTION (1.58 Å) | Cite: | Crystal structures of the ferric, ferrous, and ferrous-NO forms of the Asp140Ala mutant of human heme oxygenase-1: catalytic implications J.Mol.Biol., 330, 2003
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1OZW
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![BU of 1ozw by Molmil](/molmil-images/mine/1ozw) | Crystal Structures of the Ferric, Ferrous and Ferrous-NO Forms of the Asp140Ala Mutant of Human Heme Oxygenase-1: Catalytic Implications | Descriptor: | Heme oxygenase 1, NITRIC OXIDE, PROTOPORPHYRIN IX CONTAINING FE | Authors: | Lad, L, Wang, J, Li, H, Friedman, J, Ortiz de Montellano, P.R, Poulos, T.L. | Deposit date: | 2003-04-09 | Release date: | 2003-08-05 | Last modified: | 2023-08-16 | Method: | X-RAY DIFFRACTION (1.55 Å) | Cite: | Crystal structures of the ferric, ferrous, and ferrous-NO forms of the Asp140Ala mutant of human heme oxygenase-1: catalytic implications J.Mol.Biol., 330, 2003
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1OYK
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![BU of 1oyk by Molmil](/molmil-images/mine/1oyk) | Crystal Structures of the Ferric, Ferrous, and Ferrous-NO Forms of the Asp140Ala Mutant of Human Heme Oxygenase-1: Catalytic Implications | Descriptor: | Heme oxygenase 1, PROTOPORPHYRIN IX CONTAINING FE | Authors: | Lad, L, Wang, J, Li, H, Friedman, J, Ortiz de Montellano, P.R, Poulos, T.L. | Deposit date: | 2003-04-04 | Release date: | 2003-08-05 | Last modified: | 2023-08-16 | Method: | X-RAY DIFFRACTION (2.59 Å) | Cite: | Crystal structures of the ferric, ferrous, and ferrous-NO forms of the Asp140Ala mutant of human heme oxygenase-1: catalytic implications J.Mol.Biol., 330, 2003
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5JSJ
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![BU of 5jsj by Molmil](/molmil-images/mine/5jsj) | Crystal structure of Spindlin1 bound to compound EML631 | Descriptor: | CHLORIDE ION, MAGNESIUM ION, Spindlin-1, ... | Authors: | Su, X, Li, H. | Deposit date: | 2016-05-08 | Release date: | 2017-05-24 | Last modified: | 2024-03-20 | Method: | X-RAY DIFFRACTION (2.348 Å) | Cite: | Developing Spindlin1 small-molecule inhibitors by using protein microarrays Nat. Chem. Biol., 13, 2017
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8V2F
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![BU of 8v2f by Molmil](/molmil-images/mine/8v2f) | Crystal structure of IRAK4 kinase domain with compound 9 | Descriptor: | CHLORIDE ION, GLYCEROL, Interleukin-1 receptor-associated kinase 4, ... | Authors: | Weiss, M.M, Zheng, X, Browne, C.M, Campbell, V, Chen, D, Enerson, B, Fei, X, Huang, X, Klaus, C.R, Li, H, Mayo, M, McDonald, A.A, Paul, A, Sharma, K, Shi, Y, Slavin, A, Walter, D.M, Yuan, K, Zhang, Y, Zhu, X, Kelleher, J, Ji, N, Walker, D, Mainolfi, N. | Deposit date: | 2023-11-22 | Release date: | 2024-07-03 | Last modified: | 2024-07-24 | Method: | X-RAY DIFFRACTION (2.09 Å) | Cite: | Discovery of KT-413, a Targeted Protein Degrader of IRAK4 and IMiD Substrates Targeting MYD88 Mutant Diffuse Large B-Cell Lymphoma. J.Med.Chem., 67, 2024
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8V1O
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![BU of 8v1o by Molmil](/molmil-images/mine/8v1o) | Crystal structure of IRAK4 kinase domain with compound 4 | Descriptor: | CHLORIDE ION, GLYCEROL, Interleukin-1 receptor-associated kinase 4, ... | Authors: | Weiss, M.M, Zheng, X, Browne, C.M, Campbell, V, Chen, D, Enerson, B, Fei, X, Huang, X, Klaus, C.R, Li, H, Mayo, M, McDonald, A.A, Paul, A, Sharma, K, Shi, Y, Slavin, A, Walter, D.M, Yuan, K, Zhang, Y, Zhu, X, Kelleher, J, Ji, N, Walker, D, Mainolfi, N. | Deposit date: | 2023-11-21 | Release date: | 2024-07-03 | Last modified: | 2024-07-24 | Method: | X-RAY DIFFRACTION (2.92 Å) | Cite: | Discovery of KT-413, a Targeted Protein Degrader of IRAK4 and IMiD Substrates Targeting MYD88 Mutant Diffuse Large B-Cell Lymphoma. J.Med.Chem., 67, 2024
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8V2L
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![BU of 8v2l by Molmil](/molmil-images/mine/8v2l) | Crystal structure of IRAK4 kinase domain with compound 8 | Descriptor: | 1,2-ETHANEDIOL, Interleukin-1 receptor-associated kinase 4, N-{2-[4-(hydroxymethyl)phenyl]-6-(2-hydroxypropan-2-yl)-2H-indazol-5-yl}-6-(trifluoromethyl)pyridine-2-carboxamide | Authors: | Weiss, M.M, Zheng, X, Browne, C.M, Campbell, V, Chen, D, Enerson, B, Fei, X, Huang, X, Klaus, C.R, Li, H, Mayo, M, McDonald, A.A, Paul, A, Sharma, K, Shi, Y, Slavin, A, Walter, D.M, Yuan, K, Zhang, Y, Zhu, X, Kelleher, J, Ji, N, Walker, D, Mainolfi, N. | Deposit date: | 2023-11-22 | Release date: | 2024-07-03 | Last modified: | 2024-07-24 | Method: | X-RAY DIFFRACTION (2.43 Å) | Cite: | Discovery of KT-413, a Targeted Protein Degrader of IRAK4 and IMiD Substrates Targeting MYD88 Mutant Diffuse Large B-Cell Lymphoma. J.Med.Chem., 67, 2024
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8GI8
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![BU of 8gi8 by Molmil](/molmil-images/mine/8gi8) | Kalium channelrhodopsin 1 from Hyphochytrium catenoides (HcKCR1) embedded in peptidisc | Descriptor: | 1,2-dioleoyl-sn-glycero-3-phosphoethanolamine, CHOLESTEROL, Kalium Channelrhodopsin 1, ... | Authors: | Morizumi, T, Kim, K, Li, H, Spudich, J.L, Ernst, O.P. | Deposit date: | 2023-03-13 | Release date: | 2023-07-26 | Last modified: | 2024-05-01 | Method: | ELECTRON MICROSCOPY (2.88 Å) | Cite: | Structures of channelrhodopsin paralogs in peptidiscs explain their contrasting K + and Na + selectivities. Nat Commun, 14, 2023
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8GI9
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![BU of 8gi9 by Molmil](/molmil-images/mine/8gi9) | Cation channelrhodopsin from Hyphochytrium catenoides (HcCCR) embedded in peptidisc | Descriptor: | 1,2-dioleoyl-sn-glycero-3-phosphoethanolamine, CHOLESTEROL, Cation Channelrhodopsin, ... | Authors: | Morizumi, T, Kim, K, Li, H, Spudich, J.L, Ernst, O.P. | Deposit date: | 2023-03-13 | Release date: | 2023-07-26 | Last modified: | 2024-05-01 | Method: | ELECTRON MICROSCOPY (2.84 Å) | Cite: | Structures of channelrhodopsin paralogs in peptidiscs explain their contrasting K + and Na + selectivities. Nat Commun, 14, 2023
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5K93
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![BU of 5k93 by Molmil](/molmil-images/mine/5k93) | PapD wild-type chaperone | Descriptor: | Chaperone protein PapD | Authors: | Sarowar, S, Li, H. | Deposit date: | 2016-05-31 | Release date: | 2016-07-20 | Last modified: | 2019-12-25 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | The Escherichia coli P and Type 1 Pilus Assembly Chaperones PapD and FimC Are Monomeric in Solution. J.Bacteriol., 198, 2016
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5IET
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![BU of 5iet by Molmil](/molmil-images/mine/5iet) | Crystal Structure of Mycobacterium Tuberculosis ATP-independent Proteasome activator | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, Bacterial proteasome activator, SULFATE ION | Authors: | Bai, L, Hu, K, Wang, T, Jastrab, J.B, Darwin, K.H, Li, H. | Deposit date: | 2016-02-25 | Release date: | 2016-03-30 | Last modified: | 2019-12-11 | Method: | X-RAY DIFFRACTION (2.88 Å) | Cite: | Structural analysis of the dodecameric proteasome activator PafE in Mycobacterium tuberculosis. Proc.Natl.Acad.Sci.USA, 113, 2016
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1PKK
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![BU of 1pkk by Molmil](/molmil-images/mine/1pkk) | Structural basis for recognition and catalysis by the bifunctional dCTP deaminase and dUTPase from Methanococcus jannaschii | Descriptor: | 1,2-ETHANEDIOL, 2'-DEOXYCYTIDINE-5'-TRIPHOSPHATE, Bifunctional deaminase/diphosphatase | Authors: | Huffman, J.L, Li, H, White, R.H, Tainer, J.A. | Deposit date: | 2003-06-05 | Release date: | 2003-09-23 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (1.77 Å) | Cite: | Structural basis for recognition and catalysis by the bifunctional dCTP deaminase and dUTPase from Methanococcus jannaschii J.Mol.Biol., 331, 2003
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1OZE
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![BU of 1oze by Molmil](/molmil-images/mine/1oze) | Crystal Structures of the Ferric, Ferrous, and Ferrous-NO Forms of the Asp140Ala Mutant of Human Heme Oxygenase-1:Catalytic Implications | Descriptor: | Heme oxygenase 1, PROTOPORPHYRIN IX CONTAINING FE | Authors: | Lad, L, Wang, J, Li, H, Friedman, J, Ortiz de Montellano, P.R, Poulos, T.L. | Deposit date: | 2003-04-08 | Release date: | 2003-08-05 | Last modified: | 2023-08-16 | Method: | X-RAY DIFFRACTION (2.19 Å) | Cite: | Crystal structures of the ferric, ferrous, and ferrous-NO forms of the Asp140Ala mutant of human heme oxygenase-1: catalytic implications J.Mol.Biol., 330, 2003
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1OYL
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![BU of 1oyl by Molmil](/molmil-images/mine/1oyl) | Crystal Structures of the Ferric, Ferrous, and Ferrous-NO Forms of the Asp140Ala Mutant of Human Heme Oxygenase-1: Catalytic Implications | Descriptor: | Heme oxygenase 1, PROTOPORPHYRIN IX CONTAINING FE | Authors: | Lad, L, Wang, J, Li, H, Friedman, J, Ortiz de Montellano, P.R, Poulos, T.L. | Deposit date: | 2003-04-05 | Release date: | 2003-08-05 | Last modified: | 2023-08-16 | Method: | X-RAY DIFFRACTION (1.59 Å) | Cite: | Crystal structures of the ferric, ferrous, and ferrous-NO forms of the Asp140Ala mutant of human heme oxygenase-1: catalytic implications J.Mol.Biol., 330, 2003
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1Q1R
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![BU of 1q1r by Molmil](/molmil-images/mine/1q1r) | |
5JSG
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![BU of 5jsg by Molmil](/molmil-images/mine/5jsg) | Crystal structure of Spindlin1 bound to compound EML405 | Descriptor: | CHLORIDE ION, MAGNESIUM ION, Spindlin-1, ... | Authors: | Su, X, Li, H. | Deposit date: | 2016-05-08 | Release date: | 2017-05-10 | Last modified: | 2024-03-20 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Developing Spindlin1 small-molecule inhibitors by using protein microarrays Nat. Chem. Biol., 13, 2017
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1N97
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![BU of 1n97 by Molmil](/molmil-images/mine/1n97) | Crystal Structure of CYP175A1 from Thermus thermophillus strain HB27 | Descriptor: | 1,2-ETHANEDIOL, CYP175A1, PROTOPORPHYRIN IX CONTAINING FE, ... | Authors: | Yano, J.K, Blasco, F, Li, H, Schmid, R.D, Henne, A, Poulos, T.L. | Deposit date: | 2002-11-22 | Release date: | 2003-02-25 | Last modified: | 2023-08-16 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Preliminary Characterization and Crystal Structure of a Thermostable Cytochrome P450 from Thermus thermophilus J.Biol.Chem., 278, 2003
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