2WMJ
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![BU of 2wmj by Molmil](/molmil-images/mine/2wmj) | Crystal structure of the catalytic module of a family 98 glycoside hydrolase from Streptococcus pneumoniae SP3-BS71 (Sp3GH98) in complex with the B-trisaccharide blood group antigen. | Descriptor: | FUCOLECTIN-RELATED PROTEIN, alpha-L-fucopyranose-(1-2)-[alpha-D-galactopyranose-(1-3)]beta-D-galactopyranose | Authors: | Higgins, M.A, Whitworth, G.E, El Warry, N, Randriantsoa, M, Samain, E, Burke, R.D, Vocadlo, D.J, Boraston, A.B. | Deposit date: | 2009-06-30 | Release date: | 2009-07-14 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Differential Recognition and Hydrolysis of Host Carbohydrate-Antigens by Streptococcus Pneumoniae Family 98 Glycoside Hydrolases. J.Biol.Chem., 284, 2009
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7MOY
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![BU of 7moy by Molmil](/molmil-images/mine/7moy) | Structure of HDAC2 in complex with an inhibitor (compound 19) | Descriptor: | (1S)-6-ethyl-N-{(1S)-1-[5-(2-ethyl-1-oxo-1,2-dihydroisoquinolin-6-yl)-1H-imidazol-2-yl]-7,7-dihydroxynonyl}-6-azaspiro[2.5]octane-1-carboxamide, CALCIUM ION, DI(HYDROXYETHYL)ETHER, ... | Authors: | Klein, D.J, Yu, W. | Deposit date: | 2021-05-03 | Release date: | 2021-07-14 | Last modified: | 2024-05-22 | Method: | X-RAY DIFFRACTION (1.78 Å) | Cite: | Discovery of macrocyclic HDACs 1, 2, and 3 selective inhibitors for HIV latency reactivation. Bioorg.Med.Chem.Lett., 47, 2021
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7MOT
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![BU of 7mot by Molmil](/molmil-images/mine/7mot) | Structure of HDAC2 in complex with an inhibitor (compound 9) | Descriptor: | 5-{(1S)-7,7-dihydroxy-1-[(1-methylazetidine-3-carbonyl)amino]nonyl}-2-phenyl-1H-imidazole-4-carboxamide, CALCIUM ION, DI(HYDROXYETHYL)ETHER, ... | Authors: | Klein, D.J, Yu, W. | Deposit date: | 2021-05-03 | Release date: | 2021-07-14 | Last modified: | 2024-05-22 | Method: | X-RAY DIFFRACTION (1.54 Å) | Cite: | Discovery of macrocyclic HDACs 1, 2, and 3 selective inhibitors for HIV latency reactivation. Bioorg.Med.Chem.Lett., 47, 2021
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7MOS
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![BU of 7mos by Molmil](/molmil-images/mine/7mos) | Structure of HDAC2 in complex with a macrocyclic inhibitor (compound 4) | Descriptor: | (3S,18S,20aR)-18-(6,6-dihydroxyoctyl)-1,5,6,7,8,18,19,20a-octahydro-4H-14,17-epiminoazeto[1,2-g][1,7,10,13]benzoxatriazacycloheptadecin-20(2H)-one, CALCIUM ION, DI(HYDROXYETHYL)ETHER, ... | Authors: | Klein, D.J, Yu, W. | Deposit date: | 2021-05-03 | Release date: | 2021-07-14 | Last modified: | 2024-05-22 | Method: | X-RAY DIFFRACTION (1.704 Å) | Cite: | Discovery of macrocyclic HDACs 1, 2, and 3 selective inhibitors for HIV latency reactivation. Bioorg.Med.Chem.Lett., 47, 2021
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7MOX
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![BU of 7mox by Molmil](/molmil-images/mine/7mox) | Structure of HDAC2 in complex with an inhibitor (compound 14) | Descriptor: | (1S)-N-[(1S)-7,7-dihydroxy-1-{4-[(1R,4S)-1,2,3,4-tetrahydro-1,4-methanonaphthalen-6-yl]-1H-imidazol-2-yl}nonyl]-6-methyl-6-azaspiro[2.5]octane-1-carboxamide, CALCIUM ION, DI(HYDROXYETHYL)ETHER, ... | Authors: | Klein, D.J, Yu, W. | Deposit date: | 2021-05-03 | Release date: | 2021-07-14 | Last modified: | 2024-05-22 | Method: | X-RAY DIFFRACTION (1.69 Å) | Cite: | Discovery of macrocyclic HDACs 1, 2, and 3 selective inhibitors for HIV latency reactivation. Bioorg.Med.Chem.Lett., 47, 2021
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5IH6
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![BU of 5ih6 by Molmil](/molmil-images/mine/5ih6) | Human Casein Kinase 1 isoform delta (kinase domain) in complex with Epiblastin A derivative | Descriptor: | 6-(3-bromophenyl)pteridine-2,4,7-triamine, Casein kinase I isoform delta, S,R MESO-TARTARIC ACID, ... | Authors: | Ursu, A, Illich, D.J, Takemoto, Y, Porfetye, A.T, Zhang, M, Brockmeyer, A, Janning, P, Watanabe, N, Osada, H, Vetter, I.R, Ziegler, S, Schoeler, H.R, Waldmann, H. | Deposit date: | 2016-02-29 | Release date: | 2016-04-13 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Epiblastin A Induces Reprogramming of Epiblast Stem Cells Into Embryonic Stem Cells by Inhibition of Casein Kinase 1. Cell Chem Biol, 23, 2016
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2XO8
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![BU of 2xo8 by Molmil](/molmil-images/mine/2xo8) | Crystal Structure of Myosin-2 in Complex with Tribromodichloropseudilin | Descriptor: | 2,4-DICHLORO-6-(3,4,5-TRIBROMO-1H-PYRROL-2-YL)PHENOL, ADP METAVANADATE, MAGNESIUM ION, ... | Authors: | Preller, M, Chinthalapudi, K, Martin, R, Knoelker, H.J, Manstein, D.J. | Deposit date: | 2010-08-10 | Release date: | 2011-05-25 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Inhibition of Myosin ATPase Activity by Halogenated Pseudilins: A Structure-Activity Study. J.Med.Chem., 54, 2011
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1H2E
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![BU of 1h2e by Molmil](/molmil-images/mine/1h2e) | BACILLUS STEAROTHERMOPHILUS PHOE (previously known as yhfr) in complex with phosphate | Descriptor: | 1,2-ETHANEDIOL, PHOSPHATASE, PHOSPHATE ION | Authors: | Rigden, D.J, Littlejohn, J.E, Jedrzejas, M.J. | Deposit date: | 2002-08-08 | Release date: | 2002-08-12 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (1.69 Å) | Cite: | Structures of Phosphate and Trivanadate Complexes of Bacillus Stearothermophilus Phosphatase Phoe: Structural and Functional Analysis in the Cofactor-Dependent Phosphoglycerate Mutase Superfamily J.Mol.Biol., 325, 2003
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2YA2
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![BU of 2ya2 by Molmil](/molmil-images/mine/2ya2) | Catalytic Module of the Multi-modular glycogen-degrading pneumococcal virulence factor SpuA in complex with an inhibitor. | Descriptor: | 1-DEOXYNOJIRIMYCIN, CALCIUM ION, PUTATIVE ALKALINE AMYLOPULLULANASE, ... | Authors: | Lammerts van Bueren, A, Ficko-Blean, E, Pluvinage, B, Hehemann, J.H, Higgins, M.A, Deng, L, Ogunniyi, A.D, Stroeher, U.H, Warry, N.E, Burke, R.D, Czjzek, M, Paton, J.C, Vocadlo, D.J, Boraston, A.B. | Deposit date: | 2011-02-17 | Release date: | 2011-04-20 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (2.37 Å) | Cite: | The Conformation and Function of a Multimodular Glycogen-Degrading Pneumococcal Virulence Factor. Structure, 19, 2011
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2Y73
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![BU of 2y73 by Molmil](/molmil-images/mine/2y73) | THE NATIVE STRUCTURES OF SOLUBLE HUMAN PRIMARY AMINE OXIDASE AOC3 | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, ... | Authors: | Elovaara, H, Kidron, H, Parkash, V, Nymalm, Y, Bligt, E, Ollikka, P, Smith, D.J, Pihlavisto, M, Salmi, M, Jalkanen, S, Salminen, T.A. | Deposit date: | 2011-01-28 | Release date: | 2011-06-15 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | Identification of Two Imidazole Binding Sites and Key Residues for Substrate Specificity in Human Primary Amine Oxidase Aoc3. Biochemistry, 50, 2011
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1H2F
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![BU of 1h2f by Molmil](/molmil-images/mine/1h2f) | |
7M7X
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![BU of 7m7x by Molmil](/molmil-images/mine/7m7x) | |
7MU6
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![BU of 7mu6 by Molmil](/molmil-images/mine/7mu6) | Ask1 bound to compound 28 | Descriptor: | 2-methoxy-N-(6-{4-[(2S)-1,1,1-trifluoropropan-2-yl]-4H-1,2,4-triazol-3-yl}pyridin-2-yl)pyridine-3-carboxamide, Mitogen-activated protein kinase kinase kinase 5 | Authors: | Chodaparambil, J.V, Marcotte, D.J. | Deposit date: | 2021-05-14 | Release date: | 2024-07-17 | Method: | X-RAY DIFFRACTION (2.165 Å) | Cite: | Discovery of Potent, Selective, and Brain-Penetrant Apoptosis Signal-Regulating Kinase 1 (ASK1) Inhibitors that Modulate Brain Inflammation In Vivo. J.Med.Chem., 64, 2021
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5EUJ
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![BU of 5euj by Molmil](/molmil-images/mine/5euj) | PYRUVATE DECARBOXYLASE FROM ZYMOBACTER PALMAE | Descriptor: | 1,2-ETHANEDIOL, MAGNESIUM ION, Pyruvate decarboxylase, ... | Authors: | Buddrus, L, Crennell, S.J, Leak, D.J, Danson, M.J, Andrews, E.S.V, Arcus, V.L. | Deposit date: | 2015-11-18 | Release date: | 2016-09-14 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.15 Å) | Cite: | Crystal structure of pyruvate decarboxylase from Zymobacter palmae. Acta Crystallogr.,Sect.F, 72, 2016
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2VSA
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![BU of 2vsa by Molmil](/molmil-images/mine/2vsa) | Structure and mode of action of a mosquitocidal holotoxin | Descriptor: | MOSQUITOCIDAL TOXIN | Authors: | Treiber, N, Reinert, D.J, Carpusca, I, Aktories, K, Schulz, G.E. | Deposit date: | 2008-04-22 | Release date: | 2008-07-08 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (2.89 Å) | Cite: | Structure and Mode of Action of a Mosquitocidal Holotoxin J.Mol.Biol., 381, 2008
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5IWD
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![BU of 5iwd by Molmil](/molmil-images/mine/5iwd) | HCMV DNA polymerase subunit UL44 complex with a small molecule | Descriptor: | 5-methylidene-3-(methylsulfanyl)-2-benzothiophen-4(5H)-one, DNA polymerase processivity factor | Authors: | Chen, H, Coen, D.M, Hogle, J.M, Filman, D.J. | Deposit date: | 2016-03-22 | Release date: | 2016-11-30 | Last modified: | 2019-12-11 | Method: | X-RAY DIFFRACTION (2.56 Å) | Cite: | A Small Covalent Allosteric Inhibitor of Human Cytomegalovirus DNA Polymerase Subunit Interactions. ACS Infect Dis, 3, 2017
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7MFT
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![BU of 7mft by Molmil](/molmil-images/mine/7mft) | Glutamate synthase, glutamate dehydrogenase counter-enzyme complex (GudB6-GltA6-GltB6) | Descriptor: | FE3-S4 CLUSTER, FLAVIN MONONUCLEOTIDE, FLAVIN-ADENINE DINUCLEOTIDE, ... | Authors: | Jayaraman, V, Lee, D.J, Elad, N, Fraser, J.S, Tawfik, D.S. | Deposit date: | 2021-04-11 | Release date: | 2022-01-05 | Last modified: | 2024-05-29 | Method: | ELECTRON MICROSCOPY (3.9 Å) | Cite: | A counter-enzyme complex regulates glutamate metabolism in Bacillus subtilis. Nat.Chem.Biol., 18, 2022
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7MFM
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![BU of 7mfm by Molmil](/molmil-images/mine/7mfm) | Glutamate synthase, glutamate dehydrogenase counter-enzyme complex | Descriptor: | FE3-S4 CLUSTER, FLAVIN MONONUCLEOTIDE, FLAVIN-ADENINE DINUCLEOTIDE, ... | Authors: | Jayaraman, V, Lee, D.J, Elad, N, Fraser, J.S, Tawfik, D.S. | Deposit date: | 2021-04-10 | Release date: | 2022-01-05 | Last modified: | 2022-02-16 | Method: | ELECTRON MICROSCOPY (2.42 Å) | Cite: | A counter-enzyme complex regulates glutamate metabolism in Bacillus subtilis. Nat.Chem.Biol., 18, 2022
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5FJX
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5IX2
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![BU of 5ix2 by Molmil](/molmil-images/mine/5ix2) | Crystal structure of mouse Morc3 ATPase-CW cassette in complex with AMPPNP and unmodified H3 peptide | Descriptor: | MAGNESIUM ION, MORC family CW-type zinc finger protein 3, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER, ... | Authors: | Li, S, Du, J, Patel, D.J. | Deposit date: | 2016-03-23 | Release date: | 2016-08-17 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (2.9 Å) | Cite: | Mouse MORC3 is a GHKL ATPase that localizes to H3K4me3 marked chromatin Proc.Natl.Acad.Sci.USA, 113, 2016
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2WP1
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![BU of 2wp1 by Molmil](/molmil-images/mine/2wp1) | Structure of Brdt bromodomain 2 bound to an acetylated histone H3 peptide | Descriptor: | BROMODOMAIN TESTIS-SPECIFIC PROTEIN, HISTONE H3 | Authors: | Moriniere, J, Rousseaux, S, Steuerwald, U, Soler-Lopez, M, Curtet, S, Vitte, A.-L, Govin, J, Gaucher, J, Sadoul, K, Hart, D.J, Krijgsveld, J, Khochbin, S, Mueller, C.W, Petosa, C. | Deposit date: | 2009-08-02 | Release date: | 2009-09-22 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Cooperative Binding of Two Acetylation Marks on a Histone Tail by a Single Bromodomain. Nature, 461, 2009
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5JLH
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![BU of 5jlh by Molmil](/molmil-images/mine/5jlh) | Cryo-EM structure of a human cytoplasmic actomyosin complex at near-atomic resolution | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, Actin, cytoplasmic 2, ... | Authors: | von der Ecken, J, Heissler, S.M, Pathan-Chhatbar, S, Manstein, D.J, Raunser, S. | Deposit date: | 2016-04-27 | Release date: | 2016-06-15 | Last modified: | 2024-07-10 | Method: | ELECTRON MICROSCOPY (3.9 Å) | Cite: | Cryo-EM structure of a human cytoplasmic actomyosin complex at near-atomic resolution. Nature, 534, 2016
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7MKK
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![BU of 7mkk by Molmil](/molmil-images/mine/7mkk) | |
7MQQ
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![BU of 7mqq by Molmil](/molmil-images/mine/7mqq) | |
5FQE
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![BU of 5fqe by Molmil](/molmil-images/mine/5fqe) | The details of glycolipid glycan hydrolysis by the structural analysis of a family 123 glycoside hydrolase from Clostridium perfringens | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, BETA-N-ACETYLGALACTOSAMINIDASE, BROMIDE ION, ... | Authors: | Noach, I, Pluvinage, B, Laurie, C, Abe, K.T, Alteen, M, Vocadlo, D.J, Boraston, A.B. | Deposit date: | 2015-12-10 | Release date: | 2016-03-30 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (1.53 Å) | Cite: | The Details of Glycolipid Glycan Hydrolysis by the Structural Analysis of a Family 123 Glycoside Hydrolase from Clostridium Perfringens J.Mol.Biol., 428, 2016
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