5L8C
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![BU of 5l8c by Molmil](/molmil-images/mine/5l8c) | Crystal structure of T. brucei PDE-B1 catalytic domain with inhibitor NPD-039 | Descriptor: | 4-[5-[(4~{a}~{R},8~{a}~{S})-4-oxidanylidene-3-propan-2-yl-4~{a},5,8,8~{a}-tetrahydrophthalazin-1-yl]-2-methoxy-phenyl]-~{N}-(2-azanyl-2-oxidanylidene-ethyl)benzamide, DI(HYDROXYETHYL)ETHER, FORMIC ACID, ... | Authors: | Singh, A.K, Anthonyrajah, E.S, Brown, D.G. | Deposit date: | 2016-06-07 | Release date: | 2018-03-14 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (2.01 Å) | Cite: | Targeting a Subpocket in Trypanosoma brucei Phosphodiesterase B1 (TbrPDEB1) Enables the Structure-Based Discovery of Selective Inhibitors with Trypanocidal Activity. J. Med. Chem., 61, 2018
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5LAQ
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![BU of 5laq by Molmil](/molmil-images/mine/5laq) | Crystal structure of human phosphodiesterase 4B catalytic domain with inhibitor NPD-001 | Descriptor: | (4~{a}~{S},8~{a}~{R})-2-cycloheptyl-4-[4-methoxy-3-[4-[4-(1~{H}-1,2,3,4-tetrazol-5-yl)phenoxy]butoxy]phenyl]-4~{a},5,8,8~{a}-tetrahydrophthalazin-1-one, ACETATE ION, MAGNESIUM ION, ... | Authors: | Singh, A.K, Brown, D.G. | Deposit date: | 2016-06-14 | Release date: | 2018-03-14 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Targeting a Subpocket in Trypanosoma brucei Phosphodiesterase B1 (TbrPDEB1) Enables the Structure-Based Discovery of Selective Inhibitors with Trypanocidal Activity. J. Med. Chem., 61, 2018
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1H48
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![BU of 1h48 by Molmil](/molmil-images/mine/1h48) | The structure of 2C-Methyl-D-erythritol 2,4-cyclodiphosphate synthase in complex with CMP and product | Descriptor: | 2C-METHYL-D-ERYTHRITOL 2,4-CYCLODIPHOSPHATE, 2C-METHYL-D-ERYTHRITOL-2,4-CYCLODIPHOSPHATE SYNTHASE, CYTIDINE-5'-MONOPHOSPHATE, ... | Authors: | Kemp, L.E, Alphey, M.S, Bond, C.S, Hunter, W.N. | Deposit date: | 2003-02-24 | Release date: | 2004-12-22 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | The Identification of Isoprenoids that Bind in the Intersubunit Cavity of Escherichia Coli 2C-Methyl-D-Erythritol-2,4-Cyclodiphosphate Synthase by Complementary Biophysical Methods Acta Crystallogr.,Sect.D, 61, 2005
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5LBO
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![BU of 5lbo by Molmil](/molmil-images/mine/5lbo) | Crystal structure of human phosphodiesterase 4D2 catalytic domain with inhibitor NPD-001 | Descriptor: | (4~{a}~{S},8~{a}~{R})-2-cycloheptyl-4-[4-methoxy-3-[4-[4-(1~{H}-1,2,3,4-tetrazol-5-yl)phenoxy]butoxy]phenyl]-4~{a},5,8,8~{a}-tetrahydrophthalazin-1-one, 1,2-ETHANEDIOL, 2,3-DIHYDROXY-1,4-DITHIOBUTANE, ... | Authors: | Singh, A.K, Brown, D.G. | Deposit date: | 2016-06-16 | Release date: | 2018-03-14 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.25 Å) | Cite: | Targeting a Subpocket in Trypanosoma brucei Phosphodiesterase B1 (TbrPDEB1) Enables the Structure-Based Discovery of Selective Inhibitors with Trypanocidal Activity. J. Med. Chem., 61, 2018
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5L2S
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![BU of 5l2s by Molmil](/molmil-images/mine/5l2s) | The X-ray co-crystal structure of human CDK6 and Abemaciclib. | Descriptor: | Cyclin-dependent kinase 6, N-{5-[(4-ethylpiperazin-1-yl)methyl]pyridin-2-yl}-5-fluoro-4-[4-fluoro-2-methyl-1-(propan-2-yl)-1H-benzimidazol-6-yl]py rimidin-2-amine | Authors: | Chen, P, Ferre, R.A, Deihl, W, Yu, X, He, Y.-A. | Deposit date: | 2016-08-02 | Release date: | 2016-08-24 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (2.27 Å) | Cite: | Spectrum and Degree of CDK Drug Interactions Predicts Clinical Performance. Mol.Cancer Ther., 15, 2016
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3BX1
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![BU of 3bx1 by Molmil](/molmil-images/mine/3bx1) | Complex between the Barley alpha-Amylase/Subtilisin Inhibitor and the subtilisin Savinase | Descriptor: | Alpha-amylase/subtilisin inhibitor, CALCIUM ION, CHLORIDE ION, ... | Authors: | Micheelsen, P.O, Vevodova, J, Wilson, K, Skjot, M. | Deposit date: | 2008-01-11 | Release date: | 2008-07-08 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (1.85 Å) | Cite: | Structural and Mutational Analyses of the Interaction between the Barley alpha-Amylase/Subtilisin Inhibitor and the Subtilisin Savinase Reveal a Novel Mode of Inhibition J.Mol.Biol., 380, 2008
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1HEZ
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![BU of 1hez by Molmil](/molmil-images/mine/1hez) | Structure of P. magnus protein L bound to a human IgM Fab. | Descriptor: | HEAVY CHAIN OF IG, IMIDAZOLE, KAPPA LIGHT CHAIN OF IG, ... | Authors: | Graille, M, Stura, E.A, Housden, N.G, Bottomley, S.P, Taussig, M.J, Sutton, B.J, Gore, M.G, Charbonnier, J.B. | Deposit date: | 2000-11-27 | Release date: | 2001-08-10 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | Complex between Peptostreptococcus Magnus Protein L and a Human Antibody Reveals Structural Convergence in the Interaction Modes of Fab Binding Modes Structure, 9, 2001
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1HO5
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![BU of 1ho5 by Molmil](/molmil-images/mine/1ho5) | |
1HNY
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5HWM
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![BU of 5hwm by Molmil](/molmil-images/mine/5hwm) | Crystal structure of keto-deoxy-D-galactarate dehydratase complexed with 2-oxoadipic acid | Descriptor: | 2-OXOADIPIC ACID, FORMIC ACID, Probable 5-dehydro-4-deoxyglucarate dehydratase | Authors: | Taberman, H, Parkkinen, T, Hakulinen, N, Rouvinen, J. | Deposit date: | 2016-01-29 | Release date: | 2016-03-23 | Method: | X-RAY DIFFRACTION (2.097 Å) | Cite: | Structure and function of a decarboxylating Agrobacterium tumefaciens keto-deoxy-d-galactarate dehydratase. Biochemistry, 53, 2014
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1HPU
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![BU of 1hpu by Molmil](/molmil-images/mine/1hpu) | 5'-NUCLEOTIDASE (CLOSED FORM), COMPLEX WITH AMPCP | Descriptor: | 5'-NUCLEOTIDASE, MANGANESE (II) ION, PHOSPHOMETHYLPHOSPHONIC ACID ADENOSYL ESTER | Authors: | Knoefel, T, Straeter, N. | Deposit date: | 2000-12-13 | Release date: | 2002-03-20 | Last modified: | 2023-08-09 | Method: | X-RAY DIFFRACTION (1.85 Å) | Cite: | Mechanism of hydrolysis of phosphate esters by the dimetal center of 5'-nucleotidase based on crystal structures. J.Mol.Biol., 309, 2001
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2B23
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![BU of 2b23 by Molmil](/molmil-images/mine/2b23) | Human estrogen receptor alpha ligand-binding domain and a glucocorticoid receptor-interacting protein 1 NR box II peptide | Descriptor: | Estrogen receptor, Nuclear receptor coactivator 2 | Authors: | Rajan, S.S, Hsieh, R.W, Sharma, S.K, Greene, G.L. | Deposit date: | 2005-09-16 | Release date: | 2006-09-19 | Last modified: | 2023-08-23 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | NFkappaB selectivity of estrogen receptor ligands revealed by comparative crystallographic analyses Nat.Chem.Biol., 4, 2008
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5E3E
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![BU of 5e3e by Molmil](/molmil-images/mine/5e3e) | Crystal structure of CdiA-CT/CdiI complex from Y. kristensenii 33638 | Descriptor: | CdiI immunity protein, Large exoprotein involved in heme utilization or adhesion, SODIUM ION | Authors: | Michalska, K, Joachimiak, G, Jedrzejczak, R, Goulding, C.W, Joachimiak, A, Structure-Function Analysis of Polymorphic CDI Toxin-Immunity Protein Complexes (UC4CDI), Midwest Center for Structural Genomics (MCSG) | Deposit date: | 2015-10-02 | Release date: | 2015-11-25 | Last modified: | 2019-12-25 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | The CDI toxin of Yersinia kristensenii is a novel bacterial member of the RNase A superfamily. Nucleic Acids Res., 45, 2017
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5E4N
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![BU of 5e4n by Molmil](/molmil-images/mine/5e4n) | 3-Deoxy-D-arabino-heptulosonate 7-phosphate synthase from Mycobacterium tuberculosis with D-tyrosine bound in the tyrosine and phenylalanine binding sites | Descriptor: | 3-deoxy-D-arabinoheptulosonate-7-phosphate synthase, CHLORIDE ION, D-TYROSINE, ... | Authors: | Reichau, S, Jiao, W, Parker, E.J. | Deposit date: | 2015-10-06 | Release date: | 2016-06-01 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (2.05 Å) | Cite: | Probing the Sophisticated Synergistic Allosteric Regulation of Aromatic Amino Acid Biosynthesis in Mycobacterium tuberculosis Using -Amino Acids. Plos One, 11, 2016
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5DW3
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5DZK
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![BU of 5dzk by Molmil](/molmil-images/mine/5dzk) | Crystal structure of the active form of the proteolytic complex clpP1 and clpP2 | Descriptor: | ATP-dependent Clp protease proteolytic subunit 1, ATP-dependent Clp protease proteolytic subunit 2, BEZ-LEU-LEU | Authors: | LI, M, Wlodawer, A, Maurizi, M. | Deposit date: | 2015-09-25 | Release date: | 2016-02-17 | Last modified: | 2016-04-13 | Method: | X-RAY DIFFRACTION (3.07 Å) | Cite: | Structure and Functional Properties of the Active Form of the Proteolytic Complex, ClpP1P2, from Mycobacterium tuberculosis. J.Biol.Chem., 291, 2016
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2ZEU
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![BU of 2zeu by Molmil](/molmil-images/mine/2zeu) | S. Cerevisiae Geranylgeranyl Pyrophosphate Synthase in Complex with BPH-715 | Descriptor: | 3-(DECYLOXY)-1-(2,2-DIPHOSPHONOETHYL)PYRIDINIUM, Geranylgeranyl pyrophosphate synthetase | Authors: | Guo, R.T, Chen, C.K.-M, Cao, R, Oldfield, E, Wang, A.H.-J. | Deposit date: | 2007-12-17 | Release date: | 2008-12-23 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Lipophilic bisphosphonates as dual farnesyl/geranylgeranyl diphosphate synthase inhibitors: an X-ray and NMR investigation J.Am.Chem.Soc., 131, 2009
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1HP1
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![BU of 1hp1 by Molmil](/molmil-images/mine/1hp1) | 5'-NUCLEOTIDASE (OPEN FORM) COMPLEX WITH ATP | Descriptor: | 5'-NUCLEOTIDASE, ADENOSINE-5'-TRIPHOSPHATE, CARBONATE ION, ... | Authors: | Knoefel, T, Straeter, N. | Deposit date: | 2000-12-12 | Release date: | 2002-03-20 | Last modified: | 2023-08-09 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Mechanism of hydrolysis of phosphate esters by the dimetal center of 5'-nucleotidase based on crystal structures. J.Mol.Biol., 309, 2001
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2BCA
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3BWN
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![BU of 3bwn by Molmil](/molmil-images/mine/3bwn) | L-tryptophan aminotransferase | Descriptor: | 4'-DEOXY-4'-AMINOPYRIDOXAL-5'-PHOSPHATE, L-tryptophan aminotransferase, PHENYLALANINE, ... | Authors: | Ferrer, J.-L, Noel, J.P, Pojer, F, Bowman, M, Chory, J, Tao, Y. | Deposit date: | 2008-01-10 | Release date: | 2008-04-29 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (2.25 Å) | Cite: | Rapid synthesis of auxin via a new tryptophan-dependent pathway is required for shade avoidance in plants Cell(Cambridge,Mass.), 133, 2008
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3CA4
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![BU of 3ca4 by Molmil](/molmil-images/mine/3ca4) | Sambucus nigra agglutinin II, tetragonal crystal form- complexed to lactose | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ACETATE ION, ... | Authors: | Maveyraud, L, Mourey, L. | Deposit date: | 2008-02-19 | Release date: | 2008-11-25 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (1.55 Å) | Cite: | Structural basis for sugar recognition, including the Tn carcinoma antigen, by the lectin SNA-II from Sambucus nigra Proteins, 75, 2009
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1HIZ
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![BU of 1hiz by Molmil](/molmil-images/mine/1hiz) | Xylanase T6 (Xt6) from Bacillus Stearothermophilus | Descriptor: | ENDO-1,4-BETA-XYLANASE, SULFATE ION, alpha-D-galactopyranose, ... | Authors: | Sainz, G, Tepplitsky, A, Stojanoff, V, Thompson, A, Shoham, Y, Shoham, G. | Deposit date: | 2001-01-05 | Release date: | 2002-01-04 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Structure Determination of the Extracellular Xylanase from Geobacillus Stearothermophilus by Selenomethionyl MAD Phasing Acta Crystallogr.,Sect.D, 60, 2004
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6JO2
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![BU of 6jo2 by Molmil](/molmil-images/mine/6jo2) | Ferredoxin I from Thermosynechococcus elongatus | Descriptor: | BENZAMIDINE, FE2/S2 (INORGANIC) CLUSTER, Ferredoxin-1, ... | Authors: | Motomura, T. | Deposit date: | 2019-03-19 | Release date: | 2019-09-18 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (1.55 Å) | Cite: | An alternative plant-like cyanobacterial ferredoxin with unprecedented structural and functional properties. Biochim Biophys Acta Bioenerg, 1860, 2019
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5FBZ
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![BU of 5fbz by Molmil](/molmil-images/mine/5fbz) | Structure of subtilase SubHal from Bacillus halmapalus - complex with chymotrypsin inhibitor CI2A | Descriptor: | Autoproteolytic fragment of enzyme subtilase SubHal, CALCIUM ION, Enzyme subtilase SubHal from Bacillus halmapalus, ... | Authors: | Dohnalek, J, Brzozowski, A.M, Svendsen, A, Wilson, K.S. | Deposit date: | 2015-12-14 | Release date: | 2016-05-18 | Last modified: | 2024-07-10 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Stabilization of Enzymes by Metal Binding: Structures of Two Alkalophilic Bacillus Subtilases and Analysis of the Second Metal-Binding Site of the Subtilase Family Book, 2016
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5FPL
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![BU of 5fpl by Molmil](/molmil-images/mine/5fpl) | Crystal structure of human JARID1B in complex with CCT363901 | Descriptor: | 1,2-ETHANEDIOL, 8-[4-(2-azanylethyl)pyrazol-1-yl]-3H-pyrido[3,4-d]pyrimidin-4-one, DIMETHYL SULFOXIDE, ... | Authors: | Srikannathasan, V, Yann-Vai, L.B, Nowak, R, Johansson, C, Gileadi, C, von Delft, F, Arrowsmith, C.H, Bountra, C, Edwards, A, Brennan, P, Huber, K, Oppermann, U. | Deposit date: | 2015-12-02 | Release date: | 2016-01-20 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.35 Å) | Cite: | 8-Substituted Pyrido[3,4-D]Pyrimidin-4(3H)-One Derivatives as Potent, Cell Permeable, Kdm4 (Jmjd2) and Kdm5 (Jarid1) Histone Lysine Demethylase Inhibitors. J.Med.Chem., 59, 2016
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