7E1L
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![BU of 7e1l by Molmil](/molmil-images/mine/7e1l) | Crystal structure of apo form PhlH | Descriptor: | DUF1956 domain-containing protein | Authors: | Zhang, N, Wu, J, He, Y.X, Ge, H. | Deposit date: | 2021-02-01 | Release date: | 2022-02-02 | Last modified: | 2022-08-24 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Molecular basis for coordinating secondary metabolite production by bacterial and plant signaling molecules. J.Biol.Chem., 298, 2022
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5V2Z
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![BU of 5v2z by Molmil](/molmil-images/mine/5v2z) | Ethylene forming enzyme in complex with manganese, 2-oxoadipic acid and L-arginine | Descriptor: | 2-OXOADIPIC ACID, 2-oxoglutarate-dependent ethylene/succinate-forming enzyme, ARGININE, ... | Authors: | Fellner, M, Martinez, S, Hu, J, Hausinger, R.P. | Deposit date: | 2017-03-06 | Release date: | 2017-08-16 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (1.23 Å) | Cite: | Structures and Mechanisms of the Non-Heme Fe(II)- and 2-Oxoglutarate-Dependent Ethylene-Forming Enzyme: Substrate Binding Creates a Twist. J. Am. Chem. Soc., 139, 2017
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1MUL
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![BU of 1mul by Molmil](/molmil-images/mine/1mul) | Crystal structure of the E. coli HU alpha2 protein | Descriptor: | DNA binding protein HU-alpha | Authors: | Ramstein, J, Hervouet, N, Coste, F, Zelwer, C, Oberto, J, Castaing, B. | Deposit date: | 2002-09-24 | Release date: | 2003-08-05 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Evidence of a Thermal Unfolding Dimeric Intermediate for the Escherichia coli Histone-like HU Proteins: Thermodynamics and Structure. J.Mol.Biol., 331, 2003
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5V9P
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![BU of 5v9p by Molmil](/molmil-images/mine/5v9p) | Crystal structure of pyrrolidine amide inhibitor [(3S)-3-(4-bromo-1H-pyrazol-1-yl)pyrrolidin-1-yl][3-(propan-2-yl)-1H-pyrazol-5-yl]methanone (compound 35) in complex with KDM5A | Descriptor: | Lysine-specific demethylase 5A, NICKEL (II) ION, SULFATE ION, ... | Authors: | Kiefer, J.R, Liang, J, Vinogradova, M. | Deposit date: | 2017-03-23 | Release date: | 2017-05-10 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (3 Å) | Cite: | From a novel HTS hit to potent, selective, and orally bioavailable KDM5 inhibitors. Bioorg. Med. Chem. Lett., 27, 2017
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7E1N
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![BU of 7e1n by Molmil](/molmil-images/mine/7e1n) | Crystal structure of PhlH in complex with 2,4-diacetylphloroglucinol | Descriptor: | 2,4-bis[(1R)-1-oxidanylethyl]benzene-1,3,5-triol, DUF1956 domain-containing protein | Authors: | Zhang, N, Wu, J, He, Y.X, Ge, H. | Deposit date: | 2021-02-02 | Release date: | 2022-02-02 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Molecular basis for coordinating secondary metabolite production by bacterial and plant signaling molecules. J.Biol.Chem., 298, 2022
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5VBN
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![BU of 5vbn by Molmil](/molmil-images/mine/5vbn) | Crystal Structure of human DNA polymerase epsilon B-subunit in complex with C-terminal domain of catalytic subunit | Descriptor: | DNA polymerase epsilon catalytic subunit A, DNA polymerase epsilon subunit 2, SULFATE ION, ... | Authors: | Baranovskiy, A.G, Gu, J, Suwa, Y, Babayeva, N.D, Tahirov, T.H. | Deposit date: | 2017-03-29 | Release date: | 2017-08-02 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (2.35 Å) | Cite: | Crystal structure of the human Pol B-subunit in complex with the C-terminal domain of the catalytic subunit. J. Biol. Chem., 292, 2017
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6GEK
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![BU of 6gek by Molmil](/molmil-images/mine/6gek) | |
3QNO
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![BU of 3qno by Molmil](/molmil-images/mine/3qno) | RB69 DNA Polymerase (Y567A) Ternary Complex with dATP Opposite 3tCo | Descriptor: | ADENOSINE-5'-TRIPHOSPHATE, CALCIUM ION, DNA Polymerase, ... | Authors: | Xia, S, Wang, M, Wang, J, Konigsberg, W.H. | Deposit date: | 2011-02-08 | Release date: | 2012-03-14 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (1.88 Å) | Cite: | Using a Fluorescent Cytosine Analogue tC(o) To Probe the Effect of the Y567 to Ala Substitution on the Preinsertion Steps of dNMP Incorporation by RB69 DNA Polymerase. Biochemistry, 51, 2012
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2H00
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![BU of 2h00 by Molmil](/molmil-images/mine/2h00) | Human methyltransferase 10 domain containing protein | Descriptor: | (2R,3S)-1,4-DIMERCAPTOBUTANE-2,3-DIOL, CHLORIDE ION, S-ADENOSYL-L-HOMOCYSTEINE, ... | Authors: | Min, J.R, Wu, H, Zeng, H, Loppnau, P, Weigelt, J, Sundstrom, M, Arrowsmith, C.H, Edwards, A.M, Bochkarev, A, Plotnikov, A.N, Structural Genomics Consortium (SGC) | Deposit date: | 2006-05-12 | Release date: | 2006-06-13 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | The Crystal Structure of Human methyltransferase 10 domain containing protein. To be Published
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3QWY
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![BU of 3qwy by Molmil](/molmil-images/mine/3qwy) | CED-2 | Descriptor: | Cell death abnormality protein 2, GLYCEROL, SULFATE ION | Authors: | Kang, Y, Sun, J, Liu, Y, Sun, D, Hu, Y, Liu, Y.F. | Deposit date: | 2011-02-28 | Release date: | 2011-06-08 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (2.52 Å) | Cite: | Crystal structure of the cell corpse engulfment protein CED-2 in Caenorhabditis elegans. Biochem.Biophys.Res.Commun., 410, 2011
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1CPD
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5UOV
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![BU of 5uov by Molmil](/molmil-images/mine/5uov) | HIV-1 wild Type protease with GRL-1118A , an isophthalamide-derived P2-P3 ligand with the sulfonamide isostere as the P2' group | Descriptor: | ACETATE ION, CHLORIDE ION, GLYCEROL, ... | Authors: | Wang, Y.-F, Agniswamy, J, Weber, I.T. | Deposit date: | 2017-02-01 | Release date: | 2017-05-10 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (1.33 Å) | Cite: | Design of novel HIV-1 protease inhibitors incorporating isophthalamide-derived P2-P3 ligands: Synthesis, biological evaluation and X-ray structural studies of inhibitor-HIV-1 protease complex. Bioorg. Med. Chem., 25, 2017
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6G29
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![BU of 6g29 by Molmil](/molmil-images/mine/6g29) | X-ray structure of NSD3-PWWP1 in complex with compound 6 | Descriptor: | 5-methyl-2-piperidin-4-yl-6-pyridin-4-yl-pyridazin-3-one, Histone-lysine N-methyltransferase NSD3 | Authors: | Boettcher, J, Muellauer, B.J, Weiss-Puxbaum, A, Zoephel, A. | Deposit date: | 2018-03-22 | Release date: | 2019-06-26 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Fragment-based discovery of a chemical probe for the PWWP1 domain of NSD3. Nat.Chem.Biol., 15, 2019
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6G2E
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![BU of 6g2e by Molmil](/molmil-images/mine/6g2e) | X-ray structure of NSD3-PWWP1 in complex with compound 13 | Descriptor: | Histone-lysine N-methyltransferase NSD3, [3,5-dimethyl-4-(1-methyl-5-pyridin-4-yl-imidazol-4-yl)phenyl]methanamine | Authors: | Boettcher, J, Muellauer, B.J, Weiss-Puxbaum, A, Zoephel, A. | Deposit date: | 2018-03-23 | Release date: | 2019-06-26 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (1.85 Å) | Cite: | Fragment-based discovery of a chemical probe for the PWWP1 domain of NSD3. Nat.Chem.Biol., 15, 2019
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2WIF
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![BU of 2wif by Molmil](/molmil-images/mine/2wif) | AGED FORM OF HUMAN BUTYRYLCHOLINESTERASE INHIBITED BY TABUN ANALOGUE TA1 | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[beta-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, CHLORIDE ION, ... | Authors: | Carletti, E, Aurbek, N, Gillon, E, Loiodice, M, Nicolet, Y, Fontecilla, J, Masson, P, Thiermann, H, Nachon, F, Worek, F. | Deposit date: | 2009-05-11 | Release date: | 2009-05-19 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (2.25 Å) | Cite: | Structure-activity analysis of aging and reactivation of human butyrylcholinesterase inhibited by analogues of tabun. Biochem. J., 421, 2009
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3Q6S
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5VJF
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![BU of 5vjf by Molmil](/molmil-images/mine/5vjf) | Class II fructose-1,6-bisphosphate aldolase of Helicobacter pylori with DHAP | Descriptor: | 1,3-DIHYDROXYACETONEPHOSPHATE, CALCIUM ION, Fructose-bisphosphate aldolase, ... | Authors: | Coincon, M, Sygusch, J. | Deposit date: | 2017-04-19 | Release date: | 2018-04-11 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (1.85 Å) | Cite: | Active site remodeling during the catalytic cycle in metal-dependent fructose-1,6-bisphosphate aldolases. J. Biol. Chem., 293, 2018
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2WSL
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![BU of 2wsl by Molmil](/molmil-images/mine/2wsl) | Aged Form of Human Butyrylcholinesterase Inhibited by Tabun Analogue TA4 | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[beta-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, ... | Authors: | Carletti, E, Aurbek, N, Gillon, E, Loiodice, M, Nicolet, Y, Fontecilla, J, Masson, P, Thiermann, H, Nachon, F, Worek, F. | Deposit date: | 2009-09-08 | Release date: | 2009-09-15 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Structure-activity analysis of aging and reactivation of human butyrylcholinesterase inhibited by analogues of tabun. Biochem. J., 421, 2009
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2H6P
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![BU of 2h6p by Molmil](/molmil-images/mine/2h6p) | Crystal structure of HLA-B*3501 presenting the human cytochrome P450 derived peptide, KPIVVLHGY | Descriptor: | 9 mer peptide from Cytochrome P450, Beta-2-microglobulin, HLA-B35 | Authors: | Archbold, J.K, Macdonald, W.A, Rossjohn, J. | Deposit date: | 2006-05-31 | Release date: | 2006-09-19 | Last modified: | 2011-07-13 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Alloreactivity between disparate cognate and allogeneic pMHC-I complexes is the result of highly focused, peptide-dependent structural mimicry J.Biol.Chem., 281, 2006
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6G24
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![BU of 6g24 by Molmil](/molmil-images/mine/6g24) | X-ray structure of NSD3-PWWP1 in complex with compound 3 | Descriptor: | 2-[(~{E})-2-thiophen-2-ylethenyl]benzoic acid, Histone-lysine N-methyltransferase NSD3 | Authors: | Boettcher, J, Muellauer, B.J, Weiss-Puxbaum, A, Zoephel, A. | Deposit date: | 2018-03-22 | Release date: | 2019-06-26 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Fragment-based discovery of a chemical probe for the PWWP1 domain of NSD3. Nat.Chem.Biol., 15, 2019
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6G2C
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![BU of 6g2c by Molmil](/molmil-images/mine/6g2c) | X-ray structure of NSD3-PWWP1 in complex with compound 9 | Descriptor: | 3,5-dimethyl-4-(1-methyl-5-pyridin-4-yl-imidazol-4-yl)-1,2-oxazole, Histone-lysine N-methyltransferase NSD3 | Authors: | Boettcher, J, Muellauer, B.J, Weiss-Puxbaum, A, Zoephel, A. | Deposit date: | 2018-03-22 | Release date: | 2019-06-26 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (1.76 Å) | Cite: | Fragment-based discovery of a chemical probe for the PWWP1 domain of NSD3. Nat.Chem.Biol., 15, 2019
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5VVP
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![BU of 5vvp by Molmil](/molmil-images/mine/5vvp) | HLA-B*57:03 presenting LSSPVTKSW | Descriptor: | Beta-2-microglobulin, LEU-SER-SER-PRO-VAL-THR-LYS-SER-TRP, MHC class I antigen | Authors: | Pymm, P, Rossjohn, J, Vivian, J.P. | Deposit date: | 2017-05-19 | Release date: | 2018-10-03 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | HLA-B57 micropolymorphism defines the sequence and conformational breadth of the immunopeptidome. Nat Commun, 9, 2018
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3QIC
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![BU of 3qic by Molmil](/molmil-images/mine/3qic) | The structure of human glucokinase E339K mutation | Descriptor: | GLYCEROL, Glucokinase, alpha-D-glucopyranose | Authors: | Liu, Q, Liu, S, Liu, J. | Deposit date: | 2011-01-27 | Release date: | 2011-06-01 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Crystal structure of E339K mutated human glucokinase reveals changes in the ATP binding site. Febs Lett., 585, 2011
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2WIG
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![BU of 2wig by Molmil](/molmil-images/mine/2wig) | NONAGED FORM OF HUMAN BUTYRYLCHOLINESTERASE INHIBITED BY TABUN ANALOGUE TA4 | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[beta-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, CHLORIDE ION, ... | Authors: | Carletti, E, Aurbek, N, Gillon, E, Loiodice, M, Nicolet, Y, Fontecilla, J, Masson, P, Thiermann, H, Nachon, F, Worek, F. | Deposit date: | 2009-05-11 | Release date: | 2009-05-19 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (2.15 Å) | Cite: | Structure-activity analysis of aging and reactivation of human butyrylcholinesterase inhibited by analogues of tabun. Biochem. J., 421, 2009
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3TN0
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![BU of 3tn0 by Molmil](/molmil-images/mine/3tn0) | |