3NLX
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![BU of 3nlx by Molmil](/molmil-images/mine/3nlx) | Structure of rat neuronal nitric oxide synthase heme domain in complex with 6-(((3R,4R)-4-(2- (2,2-Difluoro-2-(3-fluorophenyl)ethylamino)ethoxy)pyrrolidin-3-yl)methyl)-4-methylpyridin-2-amine | Descriptor: | 5,6,7,8-TETRAHYDROBIOPTERIN, 6-{[(3R,4R)-4-(2-{[2,2-difluoro-2-(3-fluorophenyl)ethyl]amino}ethoxy)pyrrolidin-3-yl]methyl}-4-methylpyridin-2-amine, ACETATE ION, ... | Authors: | Li, H, Delker, S.L, Poulos, T.L. | Deposit date: | 2010-06-21 | Release date: | 2011-01-19 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (1.87 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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4K5E
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![BU of 4k5e by Molmil](/molmil-images/mine/4k5e) | Structure of neuronal nitric oxide synthase heme domain in complex with (R)-1,2-bis((2-amino-4-methylpyridin-6-yl)-methoxy)-propan-3-amine | Descriptor: | 5,6,7,8-TETRAHYDROBIOPTERIN, 6,6'-{[(2R)-3-aminopropane-1,2-diyl]bis(oxymethanediyl)}bis(4-methylpyridin-2-amine), ACETATE ION, ... | Authors: | Li, H, Poulos, T.L. | Deposit date: | 2013-04-14 | Release date: | 2013-09-18 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (1.892 Å) | Cite: | Chiral linkers to improve selectivity of double-headed neuronal nitric oxide synthase inhibitors. Bioorg.Med.Chem.Lett., 23, 2013
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3NM0
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![BU of 3nm0 by Molmil](/molmil-images/mine/3nm0) | Structure of rat neuronal nitric oxide synthase heme domain in complex with 6-(((3R,4R)-4-(2-(2,2-Difluoro-2-phenylethylamino)ethoxy) pyrrolidin-3-yl)methyl)-4-methyl-3,4,5,6-tetrahydropyridin-2-amine | Descriptor: | (4S,6S)-6-{[(3R,4R)-4-{2-[(2,2-difluoro-2-phenylethyl)amino]ethoxy}pyrrolidin-3-yl]methyl}-4-methyl-3,4,5,6-tetrahydropyridin-2-amine, 5,6,7,8-TETRAHYDROBIOPTERIN, ACETATE ION, ... | Authors: | Li, H, Delker, S.L, Poulos, T.L. | Deposit date: | 2010-06-21 | Release date: | 2011-01-19 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (1.81 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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3E9E
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3NNY
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![BU of 3nny by Molmil](/molmil-images/mine/3nny) | Structure of rat neuronal nitric oxide synthase heme domain complexed with 6-(((3R,4R)-4-(2-(3-Fluorophenethylamino)ethoxy)pyrrolidin-3-yl)methyl)pyridin-2-amine | Descriptor: | 5,6,7,8-TETRAHYDROBIOPTERIN, 6-{[(3R,4R)-4-(2-{[2-(3-fluorophenyl)ethyl]amino}ethoxy)pyrrolidin-3-yl]methyl}pyridin-2-amine, ACETATE ION, ... | Authors: | Li, H, Poulos, T.L. | Deposit date: | 2010-06-24 | Release date: | 2010-10-06 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Peripheral but crucial: a hydrophobic pocket (Tyr(706), Leu(337), and Met(336)) for potent and selective inhibition of neuronal nitric oxide synthase. Bioorg.Med.Chem.Lett., 20, 2010
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8J8I
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6CP4
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![BU of 6cp4 by Molmil](/molmil-images/mine/6cp4) | P450CAM D251N MUTANT | Descriptor: | CAMPHOR, CYTOCHROME P450CAM, GLYCEROL, ... | Authors: | Li, H, Poulos, T.L. | Deposit date: | 1998-05-28 | Release date: | 1998-09-16 | Last modified: | 2024-05-22 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Understanding the role of the essential Asp251 in cytochrome p450cam using site-directed mutagenesis, crystallography, and kinetic solvent isotope effect. Biochemistry, 37, 1998
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8P2W
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![BU of 8p2w by Molmil](/molmil-images/mine/8p2w) | Structure of human SIT1 (focussed map / refinement) | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Processed angiotensin-converting enzyme 2, Sodium- and chloride-dependent transporter XTRP3 | Authors: | Li, H.Z, Pike, A.C.W, Chi, G, Hansen, J.S, Lee, S.G, Rodstrom, K.E.J, Bushell, S.R, Speedman, D, Evans, A, Wang, D, He, D, Shrestha, L, Nasrallah, C, Chalk, R, Moreira, T, MacLean, E.M, Marsden, B, Bountra, C, Burgess-Brown, N.A, Dafforn, T.R, Carpenter, E.P, Sauer, D.B. | Deposit date: | 2023-05-16 | Release date: | 2024-06-12 | Last modified: | 2024-07-10 | Method: | ELECTRON MICROSCOPY (3.76 Å) | Cite: | Structure and function of the SIT1 proline transporter in complex with the COVID-19 receptor ACE2. Nat Commun, 15, 2024
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8P2Z
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![BU of 8p2z by Molmil](/molmil-images/mine/8p2z) | Structure of human SIT1 bound to L-pipecolate (focussed map / refinement) | Descriptor: | (2S)-piperidine-2-carboxylic acid, 2-acetamido-2-deoxy-beta-D-glucopyranose, CHLORIDE ION, ... | Authors: | Li, H.Z, Pike, A.C.W, Chi, G, Hansen, J.S, Lee, S.G, Rodstrom, K.E.J, Bushell, S.R, Speedman, D, Evans, A, Wang, D, He, D, Shrestha, L, Nasrallah, C, Chalk, R, Moreira, T, MacLean, E.M, Marsden, B, Bountra, C, Burgess-Brown, N.A, Dafforn, T.R, Carpenter, E.P, Sauer, D.B. | Deposit date: | 2023-05-16 | Release date: | 2024-06-12 | Last modified: | 2024-07-10 | Method: | ELECTRON MICROSCOPY (3.5 Å) | Cite: | Structure and function of the SIT1 proline transporter in complex with the COVID-19 receptor ACE2. Nat Commun, 15, 2024
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3QZV
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![BU of 3qzv by Molmil](/molmil-images/mine/3qzv) | Crystal Structure of BPTF PHD-linker-bromo in complex with histone H4K12ac peptide | Descriptor: | Histone H4, Nucleosome-remodeling factor subunit BPTF, ZINC ION | Authors: | Li, H, Ruthenburg, A.J, Patel, D.J. | Deposit date: | 2011-03-07 | Release date: | 2011-06-01 | Last modified: | 2023-12-06 | Method: | X-RAY DIFFRACTION (1.999 Å) | Cite: | Recognition of a Mononucleosomal Histone Modification Pattern by BPTF via Multivalent Interactions. Cell(Cambridge,Mass.), 145, 2011
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3QZT
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![BU of 3qzt by Molmil](/molmil-images/mine/3qzt) | Crystal Structure of BPTF bromo in complex with histone H4K16ac - Form II | Descriptor: | GLYCEROL, Histone H4, Nucleosome-remodeling factor subunit BPTF | Authors: | Li, H, Ruthenburg, A.J, Patel, D.J. | Deposit date: | 2011-03-07 | Release date: | 2011-06-01 | Last modified: | 2023-12-06 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | Recognition of a Mononucleosomal Histone Modification Pattern by BPTF via Multivalent Interactions. Cell(Cambridge,Mass.), 145, 2011
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5XPY
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![BU of 5xpy by Molmil](/molmil-images/mine/5xpy) | Structural basis of kindlin-mediated integrin recognition and activation | Descriptor: | ACETATE ION, Fermitin family homolog 2, GLYCEROL | Authors: | Li, H, Yang, H, Sun, K, Zhang, Z, Yu, C, Wei, Z. | Deposit date: | 2017-06-05 | Release date: | 2017-07-26 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2.099 Å) | Cite: | Structural basis of kindlin-mediated integrin recognition and activation Proc. Natl. Acad. Sci. U.S.A., 114, 2017
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8JZ6
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3S8M
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![BU of 3s8m by Molmil](/molmil-images/mine/3s8m) | The Crystal Structure of FabV | Descriptor: | Enoyl-ACP Reductase | Authors: | Li, H, Zhang, X.L, Bi, L.J, He, J, Jiang, T. | Deposit date: | 2011-05-29 | Release date: | 2011-11-16 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Determination of the Crystal Structure and Active Residues of FabV, the Enoyl-ACP Reductase from Xanthomonas oryzae. Plos One, 6, 2011
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5XQ1
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![BU of 5xq1 by Molmil](/molmil-images/mine/5xq1) | Structural basis of kindlin-mediated integrin recognition and activation | Descriptor: | Fermitin family homolog 2,Integrin beta-3 | Authors: | Li, H, Yang, H, Sun, K, Zhang, Z, Yu, C, Wei, Z. | Deposit date: | 2017-06-05 | Release date: | 2017-07-26 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2.954 Å) | Cite: | Structural basis of kindlin-mediated integrin recognition and activation Proc. Natl. Acad. Sci. U.S.A., 114, 2017
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5XQ0
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![BU of 5xq0 by Molmil](/molmil-images/mine/5xq0) | Structural basis of kindlin-mediated integrin recognition and activation | Descriptor: | Fermitin family homolog 2,Integrin beta-1, GLYCEROL | Authors: | Li, H, Yang, H, Sun, K, Zhang, Z, Yu, C, Wei, Z. | Deposit date: | 2017-06-05 | Release date: | 2017-07-26 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2.75 Å) | Cite: | Structural basis of kindlin-mediated integrin recognition and activation Proc. Natl. Acad. Sci. U.S.A., 114, 2017
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5FB1
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![BU of 5fb1 by Molmil](/molmil-images/mine/5fb1) | Crystal Structure of a PHD finger bound to histone H3 K9me3 peptide | Descriptor: | MALONATE ION, Nuclear autoantigen Sp-100, Peptide from Histone H3, ... | Authors: | Li, H, Zhang, X. | Deposit date: | 2015-12-13 | Release date: | 2016-05-04 | Last modified: | 2024-03-20 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Multifaceted Histone H3 Methylation and Phosphorylation Readout by the Plant Homeodomain Finger of Human Nuclear Antigen Sp100C J.Biol.Chem., 291, 2016
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6JIT
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![BU of 6jit by Molmil](/molmil-images/mine/6jit) | Complex structure of an imine reductase at 2.05 Angstrom resolution | Descriptor: | 1-(2-phenylethyl)-3,4-dihydroisoquinoline, 6-phosphogluconate dehydrogenase NAD-binding protein, CHLORIDE ION, ... | Authors: | Li, H, Wu, L, Zheng, G.W, Zhou, J.H. | Deposit date: | 2019-02-23 | Release date: | 2020-02-26 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2.052 Å) | Cite: | Complex structure of an imine reductase at 2.05 Angstrom resolution To Be Published
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7DV4
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![BU of 7dv4 by Molmil](/molmil-images/mine/7dv4) | Crystal structure of anti-CTLA-4 VH domain in complex with human CTLA-4 | Descriptor: | 1,2-ETHANEDIOL, 4003-1(VH), Cytotoxic T-lymphocyte protein 4 | Authors: | Li, H, Gan, X, He, Y. | Deposit date: | 2021-01-12 | Release date: | 2022-01-12 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.38 Å) | Cite: | An anti-CTLA-4 heavy chain-only antibody with enhanced T reg depletion shows excellent preclinical efficacy and safety profile. Proc.Natl.Acad.Sci.USA, 119, 2022
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6JIZ
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![BU of 6jiz by Molmil](/molmil-images/mine/6jiz) | Apo structure of an imine reductase at 1.76 Angstrom resolution | Descriptor: | 1,2-ETHANEDIOL, 3-ethylheptane, 6-phosphogluconate dehydrogenase NAD-binding protein, ... | Authors: | Li, H, Wu, L, Zheng, G.W, Zhou, J.H. | Deposit date: | 2019-02-24 | Release date: | 2020-02-26 | Last modified: | 2024-03-27 | Method: | X-RAY DIFFRACTION (1.763 Å) | Cite: | Apo structure of an imine reductase at 1.76 Angstrom resolution To Be Published
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5XPZ
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![BU of 5xpz by Molmil](/molmil-images/mine/5xpz) | Structural basis of kindlin-mediated integrin recognition and activation | Descriptor: | Fermitin family homolog 2, GLYCEROL | Authors: | Li, H, Yang, H, Sun, K, Zhang, Z, Yu, C, Wei, Z. | Deposit date: | 2017-06-05 | Release date: | 2017-07-26 | Last modified: | 2024-03-27 | Method: | X-RAY DIFFRACTION (2.601 Å) | Cite: | Structural basis of kindlin-mediated integrin recognition and activation Proc. Natl. Acad. Sci. U.S.A., 114, 2017
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4G3T
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![BU of 4g3t by Molmil](/molmil-images/mine/4g3t) | Mycobacterium smegmatis DprE1 - hexagonal crystal form | Descriptor: | oxidoreductase DprE1 | Authors: | Li, H, Jogl, G. | Deposit date: | 2012-07-15 | Release date: | 2012-12-05 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (2.346 Å) | Cite: | Crystal structure of decaprenylphosphoryl-beta- D-ribose 2'-epimerase from Mycobacterium smegmatis. Proteins, 81, 2013
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4G3U
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8H7P
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![BU of 8h7p by Molmil](/molmil-images/mine/8h7p) | Crystal structure of aqualigase bound with Suc-AAPF | Descriptor: | 5,6-DIHYDRO-BENZO[H]CINNOLIN-3-YLAMINE, CALCIUM ION, Subtilisin, ... | Authors: | Li, H, Ma, M.Z, Zhang, L.J, Dai, L, Chen, C.-C, Guo, R.-T. | Deposit date: | 2022-10-20 | Release date: | 2023-11-01 | Method: | X-RAY DIFFRACTION (1.82 Å) | Cite: | Crystal structure of aqualigase bound with Suc-AAPF To Be Published
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4MPZ
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![BU of 4mpz by Molmil](/molmil-images/mine/4mpz) | |