1PM9
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![BU of 1pm9 by Molmil](/molmil-images/mine/1pm9) | CRYSTAL STRUCTURE OF HUMAN MNSOD H30N, Y166F MUTANT | Descriptor: | MANGANESE (III) ION, Superoxide dismutase [Mn], mitochondrial | Authors: | Fan, L, Tainer, J.A. | Deposit date: | 2003-06-10 | Release date: | 2003-12-16 | Last modified: | 2023-08-16 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Amino acid substitution at the dimeric interface of human manganese superoxide dismutase J.Biol.Chem., 279, 2004
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6BZP
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![BU of 6bzp by Molmil](/molmil-images/mine/6bzp) | STGGYG from low-complexity domain of FUS, residues 77-82 | Descriptor: | 2-[2-(2-METHOXY-ETHOXY)-ETHOXY]-ETHOXYL, RNA-binding protein FUS | Authors: | Hughes, M.P, Rodriguez, J.A, Sawaya, M.R, Cascio, D, Gonen, T, Eisenberg, D.S. | Deposit date: | 2017-12-25 | Release date: | 2018-04-04 | Last modified: | 2024-03-13 | Method: | ELECTRON CRYSTALLOGRAPHY (1.1 Å) | Cite: | Atomic structures of low-complexity protein segments reveal kinked beta sheets that assemble networks. Science, 359, 2018
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6VS9
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![BU of 6vs9 by Molmil](/molmil-images/mine/6vs9) | |
1PKJ
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![BU of 1pkj by Molmil](/molmil-images/mine/1pkj) | Structural basis for recognition and catalysis by the bifunctional dCTP deaminase and dUTPase from Methanococcus jannaschii | Descriptor: | 1,2-ETHANEDIOL, Bifunctional deaminase/diphosphatase, DEOXYURIDINE-5'-TRIPHOSPHATE | 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 (2.1 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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1PL4
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![BU of 1pl4 by Molmil](/molmil-images/mine/1pl4) | Crystal Structure of human MnSOD Y166F mutant | Descriptor: | MANGANESE (II) ION, Superoxide dismutase [Mn], mitochondrial | Authors: | Fan, L, Tainer, J.A. | Deposit date: | 2003-06-06 | Release date: | 2003-12-16 | Last modified: | 2023-08-16 | Method: | X-RAY DIFFRACTION (1.47 Å) | Cite: | Amino acid substitution at the dimeric interface of human manganese superoxide dismutase J.Biol.Chem., 279, 2004
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3F5A
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![BU of 3f5a by Molmil](/molmil-images/mine/3f5a) | Crystal structure of Toxoplasma gondii micronemal protein 1 bound to 3'SiaLacNAc1-3 | Descriptor: | ACETATE ION, CHLORIDE ION, GLYCEROL, ... | Authors: | Garnett, J.A, Liu, Y, Feizi, T, Matthews, S.J. | Deposit date: | 2008-11-03 | Release date: | 2009-07-28 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Detailed insights from microarray and crystallographic studies into carbohydrate recognition by microneme protein 1 (MIC1) of Toxoplasma gondii. Protein Sci., 18, 2009
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6C7R
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![BU of 6c7r by Molmil](/molmil-images/mine/6c7r) | BRD4 BD1 in complex with compound CF53 | Descriptor: | Bromodomain-containing protein 4, N-(3-cyclopropyl-1-methyl-1H-pyrazol-5-yl)-7-(3,5-dimethyl-1,2-oxazol-4-yl)-6-methoxy-2-methyl-9H-pyrimido[4,5-b]indol-4-amine | Authors: | Meagher, J.L, Stuckey, J.A. | Deposit date: | 2018-01-23 | Release date: | 2018-08-01 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | Structure-Based Discovery of CF53 as a Potent and Orally Bioavailable Bromodomain and Extra-Terminal (BET) Bromodomain Inhibitor. J. Med. Chem., 61, 2018
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1PW6
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![BU of 1pw6 by Molmil](/molmil-images/mine/1pw6) | Low Micromolar Small Molecule Inhibitor of IL-2 | Descriptor: | 2-CYCLOHEXYL-N-(2-{4-[5-(2,3-DICHLORO-PHENYL)-2H-PYRAZOL-3-YL]-PIPERIDIN-1-YL}-2-OXO-ETHYL)-2-GUANIDINO-ACETAMIDE, Interleukin-2, SULFATE ION | Authors: | Thanos, C.D, Randal, M, Wells, J.A. | Deposit date: | 2003-06-30 | Release date: | 2004-01-13 | Last modified: | 2018-02-14 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | Potent small-molecule binding to a dynamic hot spot on IL-2. J.Am.Chem.Soc., 125, 2003
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1Q2Z
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![BU of 1q2z by Molmil](/molmil-images/mine/1q2z) | The 3D solution structure of the C-terminal region of Ku86 | Descriptor: | ATP-dependent DNA helicase II, 80 kDa subunit | Authors: | Harris, R, Esposito, D, Sankar, A, Maman, J.D, Hinks, J.A, Pearl, L.H, Driscoll, P.C. | Deposit date: | 2003-07-28 | Release date: | 2004-01-13 | Last modified: | 2024-05-22 | Method: | SOLUTION NMR | Cite: | The 3D Solution Structure of the C-terminal Region of Ku86 (Ku86CTR) J.Mol.Biol., 335, 2004
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3FK4
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![BU of 3fk4 by Molmil](/molmil-images/mine/3fk4) | Crystal structure of RuBisCO-like protein from Bacillus Cereus ATCC 14579 | Descriptor: | RuBisCO-like protein | Authors: | Fedorov, A.A, Fedorov, E.V, Imker, H.J, Burley, S.K, Gerlt, J.A, Almo, S.C, New York SGX Research Center for Structural Genomics (NYSGXRC) | Deposit date: | 2008-12-15 | Release date: | 2009-01-13 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Crystal structure of RuBisCO-like protein from Bacillus Cereus ATCC 14579 To be Published
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6VV7
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![BU of 6vv7 by Molmil](/molmil-images/mine/6vv7) | Mycobacterium tuberculosis dihydrofolate reductase in complex with JEB136 | Descriptor: | 5-[3-(5-methyl-1H-indol-3-yl)propoxy]-1-phenyl-1H-pyrazole-4-carboxylic acid, COBALT (II) ION, Dihydrofolate reductase, ... | Authors: | Ribeiro, J.A, Dias, M.V.B, Chavez-Pacheco, S.M. | Deposit date: | 2020-02-17 | Release date: | 2020-07-15 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (1.999 Å) | Cite: | Using a Fragment-Based Approach to Identify Alternative Chemical Scaffolds Targeting Dihydrofolate Reductase fromMycobacterium tuberculosis. Acs Infect Dis., 6, 2020
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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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3F53
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3G0D
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![BU of 3g0d by Molmil](/molmil-images/mine/3g0d) | Crystal structure of dipeptidyl peptidase IV in complex with a pyrimidinedione inhibitor 2 | Descriptor: | 2-({8-[(3R)-3-AMINOPIPERIDIN-1-YL]-1,3-DIMETHYL-2,6-DIOXO-1,2,3,6-TETRAHYDRO-7H-PURIN-7-YL}METHYL)BENZONITRILE, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | Authors: | Zhang, Z, Wallace, M.B, Feng, J, Stafford, J.A, Kaldor, S.W, Shi, L, Skene, R.J, Aertgeerts, K, Lee, B, Jennings, A, Xu, R, Kassel, D, Webb, D.R, Gwaltney, S.L. | Deposit date: | 2009-01-27 | Release date: | 2010-02-16 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (2.39 Å) | Cite: | Design and Synthesis of Pyrimidinone and Pyrimidinedione Inhibitors of Dipeptidyl Peptidase IV. J.Med.Chem., 54, 2011
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3G1X
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![BU of 3g1x by Molmil](/molmil-images/mine/3g1x) | Crystal structure of the mutant D70G of orotidine 5'-monophosphate decarboxylase from Methanobacterium thermoautotrophicum complexed with uridine 5'-monophosphate | Descriptor: | CHLORIDE ION, Orotidine 5'-phosphate decarboxylase, URIDINE-5'-MONOPHOSPHATE | Authors: | Fedorov, A.A, Fedorov, E.V, Chan, K.K, Gerlt, J.A, Almo, S.C. | Deposit date: | 2009-01-30 | Release date: | 2009-06-23 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (1.55 Å) | Cite: | Mechanism of the orotidine 5'-monophosphate decarboxylase-catalyzed reaction: evidence for substrate destabilization. Biochemistry, 48, 2009
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6BYD
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![BU of 6byd by Molmil](/molmil-images/mine/6byd) | Crystal structure of the second StART domain of yeast Lam4 | Descriptor: | Membrane-anchored lipid-binding protein LAM4 | Authors: | Jentsch, J.A, Kiburu, I.N, Wu, J, Pandey, K, Boudker, O, Menon, A.K. | Deposit date: | 2017-12-20 | Release date: | 2018-01-31 | Last modified: | 2020-01-08 | Method: | X-RAY DIFFRACTION (2.195 Å) | Cite: | Structural basis of sterol binding and transport by a yeast StARkin domain. J. Biol. Chem., 293, 2018
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1NIW
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![BU of 1niw by Molmil](/molmil-images/mine/1niw) | Crystal structure of endothelial nitric oxide synthase peptide bound to calmodulin | Descriptor: | 1,2-ETHANEDIOL, CALCIUM ION, Nitric-oxide synthase, ... | Authors: | Aoyagi, M, Arvai, A.S, Tainer, J.A, Getzoff, E.D. | Deposit date: | 2002-12-26 | Release date: | 2003-02-18 | Last modified: | 2011-07-13 | Method: | X-RAY DIFFRACTION (2.05 Å) | Cite: | Structural basis for endothelial nitric oxide synthase binding to calmodulin Embo J., 22, 2003
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6VSD
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6VSG
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![BU of 6vsg by Molmil](/molmil-images/mine/6vsg) | Mycobacterium tuberculosis dihydrofolate reductase in complex with 4-(trifluoromethyl)benzene-1,2-diamine(fragment 17) | Descriptor: | 4-(TRIFLUOROMETHYL)BENZENE-1,2-DIAMINE, COBALT (II) ION, Dihydrofolate reductase, ... | Authors: | Ribeiro, J.A, Dias, M.V.B. | Deposit date: | 2020-02-11 | Release date: | 2020-07-15 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (2.304 Å) | Cite: | Using a Fragment-Based Approach to Identify Alternative Chemical Scaffolds Targeting Dihydrofolate Reductase fromMycobacterium tuberculosis. Acs Infect Dis., 6, 2020
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3G1D
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![BU of 3g1d by Molmil](/molmil-images/mine/3g1d) | Crystal structure of orotidine 5'-monophosphate decarboxylase from Methanobacterium thermoautotrophicum complexed with uridine 5'-monophosphate | Descriptor: | Orotidine 5'-phosphate decarboxylase, URIDINE-5'-MONOPHOSPHATE | Authors: | Fedorov, A.A, Fedorov, E.V, Chan, K.K, Gerlt, J.A, Almo, S.C. | Deposit date: | 2009-01-29 | Release date: | 2009-06-23 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | Mechanism of the orotidine 5'-monophosphate decarboxylase-catalyzed reaction: evidence for substrate destabilization. Biochemistry, 48, 2009
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1NBQ
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![BU of 1nbq by Molmil](/molmil-images/mine/1nbq) | Crystal Structure of Human Junctional Adhesion Molecule Type 1 | Descriptor: | Junctional adhesion molecule 1 | Authors: | Prota, A.E, Campbell, J.A, Schelling, P, Forrest, J.C, Watson, M.J, Peters, T.R, Aurrand-Lions, M, Imhof, B.A, Dermody, T.S, Stehle, T. | Deposit date: | 2002-12-03 | Release date: | 2003-04-01 | Last modified: | 2011-07-13 | Method: | X-RAY DIFFRACTION (2.9 Å) | Cite: | Crystal structure of human junctional adhesion molecule 1: Implications for reovirus binding Proc.Natl.Acad.Sci.USA, 100, 2003
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6CLC
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![BU of 6clc by Molmil](/molmil-images/mine/6clc) | 1.01 A MicroED structure of GSNQNNF at 0.27 e- / A^2 | Descriptor: | ACETATE ION, GSNQNNF, ZINC ION | Authors: | Hattne, J, Shi, D, Glynn, C, Zee, C.-T, Gallagher-Jones, M, Martynowycz, M.W, Rodriguez, J.A, Gonen, T. | Deposit date: | 2018-03-02 | Release date: | 2018-05-16 | Last modified: | 2024-03-13 | Method: | ELECTRON CRYSTALLOGRAPHY (1.01 Å) | Cite: | Analysis of Global and Site-Specific Radiation Damage in Cryo-EM. Structure, 26, 2018
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6CLH
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![BU of 6clh by Molmil](/molmil-images/mine/6clh) | 1.37 A MicroED structure of GSNQNNF at 2.9 e- / A^2 | Descriptor: | ACETATE ION, GSNQNNF, ZINC ION | Authors: | Hattne, J, Shi, D, Glynn, C, Zee, C.-T, Gallagher-Jones, M, Martynowycz, M.W, Rodriguez, J.A, Gonen, T. | Deposit date: | 2018-03-02 | Release date: | 2018-05-16 | Last modified: | 2024-03-13 | Method: | ELECTRON CRYSTALLOGRAPHY (1.37 Å) | Cite: | Analysis of Global and Site-Specific Radiation Damage in Cryo-EM. Structure, 26, 2018
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6CLP
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![BU of 6clp by Molmil](/molmil-images/mine/6clp) | 1.16 A MicroED structure of GSNQNNF at 2.5 e- / A^2 | Descriptor: | ACETATE ION, GSNQNNF, ZINC ION | Authors: | Hattne, J, Shi, D, Glynn, C, Zee, C.-T, Gallagher-Jones, M, Martynowycz, M.W, Rodriguez, J.A, Gonen, T. | Deposit date: | 2018-03-02 | Release date: | 2018-05-16 | Last modified: | 2024-03-13 | Method: | ELECTRON CRYSTALLOGRAPHY (1.16 Å) | Cite: | Analysis of Global and Site-Specific Radiation Damage in Cryo-EM. Structure, 26, 2018
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3FYY
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![BU of 3fyy by Molmil](/molmil-images/mine/3fyy) | Crystal structure of divergent enolase from Oceanobacillus iheyensis complexed with Mg | Descriptor: | MAGNESIUM ION, Muconate cycloisomerase | Authors: | Fedorov, A.A, Fedorov, E.V, Sauder, J.M, Burley, S.K, Gerlt, J.A, Almo, S.C, New York SGX Research Center for Structural Genomics (NYSGXRC) | Deposit date: | 2009-01-23 | Release date: | 2009-02-03 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Computation-facilitated assignment of the function in the enolase superfamily: a regiochemically distinct galactarate dehydratase from Oceanobacillus iheyensis . Biochemistry, 48, 2009
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