3FTN
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![BU of 3ftn by Molmil](/molmil-images/mine/3ftn) | Q165E/S254K Double Mutant Chimera of alcohol dehydrogenase by exchange of the cofactor binding domain res 153-295 of T. brockii ADH by C. beijerinckii ADH | Descriptor: | 1,2-ETHANEDIOL, ACETATE ION, CHLORIDE ION, ... | Authors: | Frolow, F, Goihberg, E, Shimon, L, Burstein, Y. | Deposit date: | 2009-01-13 | Release date: | 2010-01-26 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (2.192 Å) | Cite: | Biochemical and structural properties of chimeras constructed by exchange of cofactor-binding domains in alcohol dehydrogenases from thermophilic and mesophilic microorganisms. Biochemistry, 49, 2010
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7RJE
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![BU of 7rje by Molmil](/molmil-images/mine/7rje) | Complex III2 from Candida albicans, Inz-5 bound | Descriptor: | 3-[2-fluoro-5-(trifluoromethyl)phenyl]-7-methyl-1-[(2-methyl-2H-tetrazol-5-yl)methyl]-1H-indazole, Cytochrome b, Cytochrome b-c1 complex subunit 2, ... | Authors: | Di Trani, J.M, Rubinstein, J.L. | Deposit date: | 2021-07-20 | Release date: | 2021-09-15 | Last modified: | 2022-01-19 | Method: | ELECTRON MICROSCOPY (3.3 Å) | Cite: | Rieske head domain dynamics and indazole-derivative inhibition of Candida albicans complex III. Structure, 30, 2022
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5FV3
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![BU of 5fv3 by Molmil](/molmil-images/mine/5fv3) | Crystal structure of human JARID1B construct c2 in complex with N- Oxalylglycine. | Descriptor: | 1,2-ETHANEDIOL, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, CHLORIDE ION, ... | Authors: | Nowak, R, Srikannathasan, V, Johansson, C, Gileadi, C, Kupinska, K, Strain-Damerell, C, Szykowska, A, Talon, R, von Delft, F, Burgess-Brown, N.A, Arrowsmith, C.H, Bountra, C, Edwards, A.M, Oppermann, U. | Deposit date: | 2016-02-02 | Release date: | 2016-02-17 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.37 Å) | Cite: | Structural Analysis of Human Kdm5B Guides Histone Demethylase Inhibitor Development. Nat.Chem.Biol., 12, 2016
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5D8H
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7RJC
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![BU of 7rjc by Molmil](/molmil-images/mine/7rjc) | Complex III2 from Candida albicans, inhibitor free, Rieske head domain in intermediate position | Descriptor: | Cytochrome b, Cytochrome b-c1 complex subunit 2, mitochondrial, ... | Authors: | Di Trani, J.M, Rubinstein, J.L. | Deposit date: | 2021-07-20 | Release date: | 2021-09-15 | Last modified: | 2022-01-19 | Method: | ELECTRON MICROSCOPY (3.3 Å) | Cite: | Rieske head domain dynamics and indazole-derivative inhibition of Candida albicans complex III. Structure, 30, 2022
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4N75
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7RLH
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![BU of 7rlh by Molmil](/molmil-images/mine/7rlh) | Cryo-EM structure of human p97-D592N mutant bound to ATPgS. | Descriptor: | MAGNESIUM ION, PHOSPHOTHIOPHOSPHORIC ACID-ADENYLATE ESTER, Transitional endoplasmic reticulum ATPase | Authors: | Caffrey, B, Zhu, X, Berezuk, A, Tuttle, K, Chittori, S, Subramaniam, S. | Deposit date: | 2021-07-23 | Release date: | 2021-09-22 | Last modified: | 2024-06-05 | Method: | ELECTRON MICROSCOPY (3 Å) | Cite: | AAA+ ATPase p97/VCP mutants and inhibitor binding disrupt inter-domain coupling and subsequent allosteric activation. J.Biol.Chem., 297, 2021
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7RJD
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![BU of 7rjd by Molmil](/molmil-images/mine/7rjd) | Complex III2 from Candida albicans, inhibitor free, Rieske head domain in c position | Descriptor: | Cytochrome b, Cytochrome b-c1 complex subunit 2, mitochondrial, ... | Authors: | Di Trani, J.M, Rubinstein, J.L. | Deposit date: | 2021-07-20 | Release date: | 2021-09-15 | Last modified: | 2022-01-19 | Method: | ELECTRON MICROSCOPY (3.2 Å) | Cite: | Rieske head domain dynamics and indazole-derivative inhibition of Candida albicans complex III. Structure, 30, 2022
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8U8Y
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![BU of 8u8y by Molmil](/molmil-images/mine/8u8y) | Human retinal variant phosphomimetic IMPDH1(546)-S477D filament bound by ATP, IMP, and NAD+, interface-centered | Descriptor: | INOSINIC ACID, Inosine-5'-monophosphate dehydrogenase 1, NICOTINAMIDE-ADENINE-DINUCLEOTIDE | Authors: | Calise, S.J, Kollman, J.M. | Deposit date: | 2023-09-18 | Release date: | 2024-01-31 | Last modified: | 2024-02-14 | Method: | ELECTRON MICROSCOPY (2.1 Å) | Cite: | Light-sensitive phosphorylation regulates retinal IMPDH1 activity and filament assembly. J.Cell Biol., 223, 2024
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7JOT
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2CM1
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![BU of 2cm1 by Molmil](/molmil-images/mine/2cm1) | Crystal structure of the catalytic domain of serine threonine protein phosphatase PstP in complex with 2 Manganese ions. | Descriptor: | GLYCEROL, MANGANESE (II) ION, SERINE THREONINE PROTEIN PHOSPHATASE PSTP | Authors: | Wehenkel, A, Villarino, A, Bellinzoni, M, Alzari, P.M. | Deposit date: | 2006-05-03 | Release date: | 2007-06-12 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Structural and Binding Studies of the Three-Metal Center in Two Mycobacterial Ppm Ser/Thr Protein Phosphatases. J.Mol.Biol., 374, 2007
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3C4Z
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7RLG
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![BU of 7rlg by Molmil](/molmil-images/mine/7rlg) | Cryo-EM structure of human p97-D592N mutant bound to ADP. | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, Transitional endoplasmic reticulum ATPase | Authors: | Caffrey, B, Zhu, X, Berezuk, A, Tuttle, K, Chittori, S, Subramaniam, S. | Deposit date: | 2021-07-23 | Release date: | 2021-09-22 | Last modified: | 2024-06-05 | Method: | ELECTRON MICROSCOPY (3.7 Å) | Cite: | AAA+ ATPase p97/VCP mutants and inhibitor binding disrupt inter-domain coupling and subsequent allosteric activation. J.Biol.Chem., 297, 2021
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8UM6
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5D9M
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![BU of 5d9m by Molmil](/molmil-images/mine/5d9m) | Crystal structure of PbGH5A, a glycoside hydrolase family 5 enzyme from Prevotella bryantii B14, E280A mutant in complex with the xyloglucan tetradecasaccharide XXXGXXXG | Descriptor: | B-1,4-endoglucanase, alpha-D-xylopyranose-(1-6)-beta-D-glucopyranose-(1-4)-[alpha-D-xylopyranose-(1-6)]beta-D-glucopyranose-(1-4)-[alpha-D-xylopyranose-(1-6)]beta-D-glucopyranose-(1-4)-alpha-D-glucopyranose, alpha-D-xylopyranose-(1-6)-beta-D-glucopyranose-(1-4)-[alpha-D-xylopyranose-(1-6)]beta-D-glucopyranose-(1-4)-[alpha-D-xylopyranose-(1-6)]beta-D-glucopyranose-(1-4)-beta-D-glucopyranose-(1-4)-[alpha-D-xylopyranose-(1-6)]beta-D-glucopyranose-(1-4)-[alpha-D-xylopyranose-(1-6)]beta-D-glucopyranose-(1-4)-[alpha-D-xylopyranose-(1-6)]beta-D-glucopyranose-(1-4)-alpha-D-glucopyranose | Authors: | Morar, M, Stogios, P.J, Xu, X, Cui, H, Di Leo, R, Yim, V, Savchenko, A. | Deposit date: | 2015-08-18 | Release date: | 2015-11-04 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Structure-Function Analysis of a Mixed-linkage beta-Glucanase/Xyloglucanase from the Key Ruminal Bacteroidetes Prevotella bryantii B14. J.Biol.Chem., 291, 2016
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3BK9
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![BU of 3bk9 by Molmil](/molmil-images/mine/3bk9) | H55A mutant of tryptophan 2,3-dioxygenase from Xanthomonas campestris | Descriptor: | PROTOPORPHYRIN IX CONTAINING FE, TRYPTOPHAN, Tryptophan 2,3-dioxygenase | Authors: | Bruckmann, C, Mowat, C.G. | Deposit date: | 2007-12-06 | Release date: | 2008-09-30 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (2.15 Å) | Cite: | Histidine 55 of tryptophan 2,3-dioxygenase is not an active site base but regulates catalysis by controlling substrate binding Biochemistry, 47, 2008
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1O7W
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![BU of 1o7w by Molmil](/molmil-images/mine/1o7w) | NAPHTHALENE 1,2-DIOXYGENASE, FULLY REDUCED FORM | Descriptor: | 1,2-ETHANEDIOL, FE (III) ION, FE2/S2 (INORGANIC) CLUSTER, ... | Authors: | Karlsson, A, Parales, J.V, Parales, R.E, Gibson, D.T, Eklund, H, Ramaswamy, S. | Deposit date: | 2002-11-14 | Release date: | 2003-02-20 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Crystal Structure of Naphthalene Dioxygenase: Side-on Binding of Dioxygen to Iron Science, 299, 2003
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5FZE
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![BU of 5fze by Molmil](/molmil-images/mine/5fze) | Crystal structure of the catalytic domain of human JARID1B in complex with MC3960 | Descriptor: | 1,2-ETHANEDIOL, CHLORIDE ION, DIMETHYL SULFOXIDE, ... | Authors: | Nowak, R, Krojer, T, Johansson, C, Gileadi, C, Kupinska, K, Strain-Damerell, C, Szykowska, A, von Delft, F, Burgess-Brown, N.A, Arrowsmith, C.H, Bountra, C, Edwards, A.M, Rotili, D, Mai, A, Oppermann, U. | Deposit date: | 2016-03-14 | Release date: | 2017-03-29 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.02 Å) | Cite: | Crystal Structure of the Catalytic Domain of Human Jarid1B in Complex with Mc3960 To be Published
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5D9Q
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![BU of 5d9q by Molmil](/molmil-images/mine/5d9q) | Crystal Structure of the BG505 SOSIP gp140 HIV-1 Env trimer in Complex with the Broadly Neutralizing Fab PGT122 and scFv NIH45-46 | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Envelope glycoprotein gp120, ... | Authors: | Julien, J.-P, Stanfield, R.L, Ward, A.B, Wilson, I.A. | Deposit date: | 2015-08-18 | Release date: | 2016-08-17 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (4.4 Å) | Cite: | Minimally Mutated HIV-1 Broadly Neutralizing Antibodies to Guide Reductionist Vaccine Design. Plos Pathog., 12, 2016
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4H6B
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![BU of 4h6b by Molmil](/molmil-images/mine/4h6b) | Structural basis for allene oxide cyclization in moss | Descriptor: | (9Z)-11-{(2R,3S)-3-[(2Z)-pent-2-en-1-yl]oxiran-2-yl}undec-9-enoic acid, (9Z)-11-{(2S,3S)-3-[(2Z)-pent-2-en-1-yl]oxiran-2-yl}undec-9-enoic acid, Allene oxide cyclase, ... | Authors: | Neumann, P, Ficner, R. | Deposit date: | 2012-09-19 | Release date: | 2012-10-17 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (1.35 Å) | Cite: | Crystal Structures of Physcomitrella patens AOC1 and AOC2: Insights into the Enzyme Mechanism and Differences in Substrate Specificity. Plant Physiol., 160, 2012
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5DAB
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![BU of 5dab by Molmil](/molmil-images/mine/5dab) | Crystal structure of FTO-IN115 | Descriptor: | 2-OXOGLUTARIC ACID, Alpha-ketoglutarate-dependent dioxygenase FTO, CHLORIDE ION, ... | Authors: | Chai, J, Zhou, B, Liu, W, Han, Z, Niu, T. | Deposit date: | 2015-08-19 | Release date: | 2016-08-24 | Last modified: | 2024-03-20 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Crystal structure of FTO-IN115 To Be Published
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7RJB
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![BU of 7rjb by Molmil](/molmil-images/mine/7rjb) | Complex III2 from Candida albicans, inhibitor free, Rieske head domain in b position | Descriptor: | Cytochrome b, Cytochrome b-c1 complex subunit 2, mitochondrial, ... | Authors: | Di Trani, J.M, Rubinstein, J.L. | Deposit date: | 2021-07-20 | Release date: | 2021-09-15 | Last modified: | 2022-01-19 | Method: | ELECTRON MICROSCOPY (3.2 Å) | Cite: | Rieske head domain dynamics and indazole-derivative inhibition of Candida albicans complex III. Structure, 30, 2022
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7LIW
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![BU of 7liw by Molmil](/molmil-images/mine/7liw) | Local refinement of human ATP citrate lyase E599Q mutant ASH domain | Descriptor: | (2S)-2-hydroxy-2-[2-oxo-2-(phosphonooxy)ethyl]butanedioic acid, ADENOSINE-5'-DIPHOSPHATE, ATP-citrate synthase, ... | Authors: | Wei, X, Marmorstein, R. | Deposit date: | 2021-01-28 | Release date: | 2021-05-19 | Last modified: | 2024-05-29 | Method: | ELECTRON MICROSCOPY (2.85 Å) | Cite: | Reply to: Acetyl-CoA is produced by the citrate synthase homology module of ATP-citrate lyase. Nat.Struct.Mol.Biol., 28, 2021
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5DB0
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![BU of 5db0 by Molmil](/molmil-images/mine/5db0) | Menin in complex with MI-352 | Descriptor: | 1-[(2R)-2,3-dihydroxypropyl]-5-[(4-{[6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]amino}piperidin-1-yl)methyl]-1H-indole-2-carbonitrile, 1-[(2S)-2,3-dihydroxypropyl]-5-[(4-{[6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]amino}piperidin-1-yl)methyl]-1 H-indole-2-carbonitrile, DIMETHYL SULFOXIDE, ... | Authors: | Pollock, J, Dmitry, B, Cierpicki, T, Grembecka, J. | Deposit date: | 2015-08-20 | Release date: | 2016-03-30 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | Property Focused Structure-Based Optimization of Small Molecule Inhibitors of the Protein-Protein Interaction between Menin and Mixed Lineage Leukemia (MLL). J.Med.Chem., 59, 2016
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3FV4
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![BU of 3fv4 by Molmil](/molmil-images/mine/3fv4) | Thermolysin inhibition | Descriptor: | CALCIUM ION, DIMETHYL SULFOXIDE, GLYCEROL, ... | Authors: | Englert, L, Biela, A, Heine, A, Klebe, G. | Deposit date: | 2009-01-15 | Release date: | 2010-02-09 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (1.56 Å) | Cite: | Displacement of disordered water molecules from hydrophobic pocket creates enthalpic signature: binding of phosphonamidate to the S1'-pocket of thermolysin. Biochim.Biophys.Acta, 1800, 2010
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