4CS6
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![BU of 4cs6 by Molmil](/molmil-images/mine/4cs6) | Crystal structure of AadA - an aminoglycoside adenyltransferase | Descriptor: | AMINOGLYCOSIDE ADENYLTRANSFERASE | Authors: | Chen, Y, Nasvall, J, Andersson, D.I, Selmer, M. | Deposit date: | 2014-03-05 | Release date: | 2015-03-25 | Last modified: | 2015-11-11 | Method: | X-RAY DIFFRACTION (2.502 Å) | Cite: | Structure of Aada from Salmonella Enterica: A Monomeric Aminoglycoside (3'')(9) Adenyltransferase. Acta Crystallogr.,Sect.D, 71, 2015
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4CTZ
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![BU of 4ctz by Molmil](/molmil-images/mine/4ctz) | Structure of bovine endothelial nitric oxide synthase heme domain in complex with (S)-6-(2-amino-2-(3-(2-(4-methylpyridin-2-yl)ethyl)phenyl)ethyl)-4-methylpyridin-2-amine | Descriptor: | (S)-6-(2-amino-2-(3-(2-(4-methylpyridin-2-yl)ethyl)phenyl)ethyl)-4-methylpyridin-2-amine, 5,6,7,8-TETRAHYDROBIOPTERIN, ACETATE ION, ... | Authors: | Chreifi, G, Li, H, Poulos, T.L. | Deposit date: | 2014-03-15 | Release date: | 2014-05-07 | Last modified: | 2014-12-03 | Method: | X-RAY DIFFRACTION (2.01 Å) | Cite: | Nitric Oxide Synthase Inhibitors that Interact with Both a Heme Propionate and Tetrahydrobiopterin Show High Isoform Selectivity. J.Med.Chem., 57, 2014
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4CUL
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![BU of 4cul by Molmil](/molmil-images/mine/4cul) | Structure of bovine endothelial nitric oxide synthase heme domain in complex with 6-acetyl-2-amino-7,7-dimethyl-7,8-dihydropteridin-4(3H)-one | Descriptor: | 6-acetyl-2-amino-7,7-dimethyl-7,8-dihydropteridin-4(3H)-one, ACETATE ION, ARGININE, ... | Authors: | Chreifi, G, Li, H, Poulos, T.L. | Deposit date: | 2014-03-20 | Release date: | 2014-05-28 | Last modified: | 2014-07-16 | Method: | X-RAY DIFFRACTION (2.23 Å) | Cite: | Communication between the Zinc and Tetrahydrobiopterin Binding Sites in Nitric Oxide Synthase. Biochemistry, 53, 2014
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6UQF
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![BU of 6uqf by Molmil](/molmil-images/mine/6uqf) | Human HCN1 channel in a hyperpolarized conformation | Descriptor: | ADENOSINE-3',5'-CYCLIC-MONOPHOSPHATE, MERCURY (II) ION, Potassium/sodium hyperpolarization-activated cyclic nucleotide-gated channel 1 | Authors: | Lee, C.-H, MacKinnon, R. | Deposit date: | 2019-10-19 | Release date: | 2019-12-11 | Last modified: | 2024-03-20 | Method: | ELECTRON MICROSCOPY (3.04 Å) | Cite: | Voltage Sensor Movements during Hyperpolarization in the HCN Channel. Cell, 179, 2019
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6RHM
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![BU of 6rhm by Molmil](/molmil-images/mine/6rhm) | Room temperature data of Galectin-3C in complex with a pair of enantiomeric ligands: S enantiomer | Descriptor: | (2~{S},3~{R},4~{S},5~{R},6~{R})-4-[4-(3-fluorophenyl)-1,2,3-triazol-1-yl]-2-[(2~{S})-3-[4-(3-fluorophenyl)-1,2,3-triazol-1-yl]-2-oxidanyl-propyl]sulfanyl-6-(hydroxymethyl)oxane-3,5-diol, Galectin-3 | Authors: | Kumar, R, Verteramo, M.L, Nilsson, U.J, Logan, D.T. | Deposit date: | 2019-04-22 | Release date: | 2019-08-21 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.596 Å) | Cite: | Are crystallographic B-factors suitable for calculating protein conformational entropy? Phys Chem Chem Phys, 21, 2019
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4D0Z
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![BU of 4d0z by Molmil](/molmil-images/mine/4d0z) | GalNAc-T2 crystal soaked with UDP-5SGalNAc, mEA2 and manganese (Higher resolution dataset) | Descriptor: | (2R,3R,4R,5R,6R)-3-(acetylamino)-4,5-dihydroxy-6-(hydroxymethyl)tetrahydro-2H-thiopyran-2-yl [(2R,3S,4R,5R)-5-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methyl dihydrogen diphosphate, 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-5-thio-alpha-D-galactopyranose, ... | Authors: | Lira-Navarrete, E, Iglesias-Fernandez, J, Zandberg, W.F, Companon, I, Kong, Y, Corzana, F, Pinto, B.M, Clausen, H, Peregrina, J.M, Vocadlo, D, Rovira, C, Hurtado-Guerrero, R. | Deposit date: | 2014-04-30 | Release date: | 2014-05-28 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Substrate-Guided Front-Face Reaction Revealed by Combined Structural Snapshots and Metadynamics for the Polypeptide N- Acetylgalactosaminyltransferase 2. Angew.Chem.Int.Ed.Engl., 53, 2014
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5TXN
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![BU of 5txn by Molmil](/molmil-images/mine/5txn) | STRUCTURE OF Q151M MUTANT HIV-1 REVERSE TRANSCRIPTASE (RT) TERNARY COMPLEX WITH A DOUBLE STRANDED DNA AND AN INCOMING DATP | Descriptor: | 1,2-ETHANEDIOL, 2'-DEOXYADENOSINE 5'-TRIPHOSPHATE, DNA (5'-D(*CP*AP*GP*TP*CP*CP*CP*TP*GP*TP*TP*CP*GP*GP*(MRG)P*CP*GP*CP*CP*G)-3'), ... | Authors: | Das, K, Martinez, S.M, Arnold, E. | Deposit date: | 2016-11-17 | Release date: | 2017-04-05 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (2.55 Å) | Cite: | Structural Insights into HIV Reverse Transcriptase Mutations Q151M and Q151M Complex That Confer Multinucleoside Drug Resistance. Antimicrob. Agents Chemother., 61, 2017
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4CXV
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![BU of 4cxv by Molmil](/molmil-images/mine/4cxv) | Structure of bifunctional endonuclease (AtBFN2) in complex with phosphate. | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ENDONUCLEASE 2, ... | Authors: | Yu, T.-F, Maestre-Reyna, M, Ko, C.-Y, Ko, T.-P, Sun, Y.-J, Lin, T.-Y, Shaw, J.-F, Wang, A.H.-J. | Deposit date: | 2014-04-09 | Release date: | 2014-07-23 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Structural Insights of the Ssdna Binding Site in the Multifunctional Endonuclease Atbfn2 from Arabidopsis Thaliana. Plos One, 9, 2014
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4CTY
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![BU of 4cty by Molmil](/molmil-images/mine/4cty) | Structure of bovine endothelial nitric oxide synthase heme domain in complex with (R)-6-(2-Amino-2-(3-(2-(6-amino-4-methylpyridin-2-yl) ethyl)phenyl)ethyl)-4-methylpyridin-2-amine | Descriptor: | (R)-6-(2-Amino-2-(3-(2-(6-amino-4-methylpyridin-2-yl)ethyl)phenyl)ethyl)-4-methylpyridin-2-amine, 5,6,7,8-TETRAHYDROBIOPTERIN, ACETATE ION, ... | Authors: | Chreifi, G, Li, H, Poulos, T.L. | Deposit date: | 2014-03-15 | Release date: | 2014-05-07 | Last modified: | 2014-06-04 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Nitric Oxide Synthase Inhibitors that Interact with Both a Heme Propionate and Tetrahydrobiopterin Show High Isoform Selectivity. J.Med.Chem., 57, 2014
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4D37
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![BU of 4d37 by Molmil](/molmil-images/mine/4d37) | Structure of bovine endothelial nitric oxide synthase heme domain in complex with N-{[(1R,2R)-2-(3-fluorophenyl)cyclopropyl]methyl}-2-[2-(1H-imidazol-1-yl) pyrimidin-4-yl]ethanamine | Descriptor: | 5,6,7,8-TETRAHYDROBIOPTERIN, ACETATE ION, GLYCEROL, ... | Authors: | Li, H, Poulos, T.L. | Deposit date: | 2014-10-20 | Release date: | 2014-12-24 | Last modified: | 2015-03-04 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Novel 2,4-Disubstituted Pyrimidines as Potent, Selective, and Cell-Permeable Inhibitors of Neuronal Nitric Oxide Synthase. J.Med.Chem., 58, 2015
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4CWY
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![BU of 4cwy by Molmil](/molmil-images/mine/4cwy) | Structure of bovine endothelial nitric oxide synthase heme domain in complex with 6-(5-(((3R,4R)-4-((6-AMINO-4-METHYLPYRIDIN-2-YL)METHYL) PYRROLIDIN-3-YL)OXY)PENTYL)-4-METHYLPYRIDIN-2-AMINE | Descriptor: | 5,6,7,8-TETRAHYDROBIOPTERIN, 6-[5-({(3R,4R)-4-[(6-amino-4-methylpyridin-2-yl)methyl]pyrrolidin-3-yl}oxy)pentyl]-4-methylpyridin-2-amine, ACETATE ION, ... | Authors: | Li, H, Poulos, T.L. | Deposit date: | 2014-04-03 | Release date: | 2014-08-13 | Last modified: | 2014-09-03 | Method: | X-RAY DIFFRACTION (2.15 Å) | Cite: | Mobility of a Conserved Tyrosine Residue Controls Isoform-Dependent Enzyme-Inhibitor Interactions in Nitric Oxide Synthases. Biochemistry, 53, 2014
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6V05
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![BU of 6v05 by Molmil](/molmil-images/mine/6v05) | Cryo-EM structure of a substrate-engaged Bam complex | Descriptor: | Outer membrane protein assembly factor BamA, Outer membrane protein assembly factor BamA,Outer membrane protein assembly factor BamA,Outer membrane protein assembly factor BamA,Outer membrane protein assembly factor BamA, Outer membrane protein assembly factor BamB, ... | Authors: | Tomasek, D, Rawson, S, Lee, J, Wzorek, J.S, Harrison, S.C, Li, Z, Kahne, D. | Deposit date: | 2019-11-18 | Release date: | 2020-06-10 | Last modified: | 2020-07-29 | Method: | ELECTRON MICROSCOPY (4.1 Å) | Cite: | Structure of a nascent membrane protein as it folds on the BAM complex. Nature, 583, 2020
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5U3I
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![BU of 5u3i by Molmil](/molmil-images/mine/5u3i) | CRYSTAL STRUCTURE OF CARBONMONOXY HEMOGLOBIN S (LIGANDED SICKLE CELL HEMOGLOBIN) COMPLEXED WITH GBT compound 31 | Descriptor: | 2-methoxy-5-({2-[1-(propan-2-yl)-1H-pyrazol-5-yl]pyridin-3-yl}methoxy)pyridine-4-carbaldehyde, CARBON MONOXIDE, Hemoglobin subunit alpha, ... | Authors: | Partridge, J.R, Choy, R.M, Li, Z, Metcalf, B. | Deposit date: | 2016-12-02 | Release date: | 2017-02-22 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (1.95 Å) | Cite: | Discovery of GBT440, an Orally Bioavailable R-State Stabilizer of Sickle Cell Hemoglobin. ACS Med Chem Lett, 8, 2017
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4AWD
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![BU of 4awd by Molmil](/molmil-images/mine/4awd) | Crystal structure of the beta-porphyranase BpGH16B (BACPLE_01689) from the human gut bacterium Bacteroides plebeius | Descriptor: | BETA-PORPHYRANASE, CALCIUM ION, GLYCEROL | Authors: | Hehemann, J.H, Kelly, A.G, Pudlo, N.A, Martens, E.C, Boraston, A.B. | Deposit date: | 2012-06-01 | Release date: | 2012-07-25 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Bacteria of the human gut microbiome catabolize red seaweed glycans with carbohydrate-active enzyme updates from extrinsic microbes. Proc. Natl. Acad. Sci. U.S.A., 109, 2012
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6V13
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![BU of 6v13 by Molmil](/molmil-images/mine/6v13) | immune receptor complex | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Fibrinogen beta 74cit69-81, G08 TCR alpha chain, ... | Authors: | Lim, J.J, Rossjohn, J. | Deposit date: | 2019-11-19 | Release date: | 2020-11-25 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (2.75 Å) | Cite: | The shared susceptibility epitope of HLA-DR4 binds citrullinated self-antigens and the TCR. Sci Immunol, 6, 2021
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6RU2
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![BU of 6ru2 by Molmil](/molmil-images/mine/6ru2) | Crystal Structure of Glucuronoyl Esterase from Cerrena unicolor | Descriptor: | 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, 4-O-methyl-glucuronoyl methylesterase, ... | Authors: | Ernst, H.A, Mosbech, C, Langkilde, A, Westh, P, Meyer, A, Agger, J.W, Larsen, S. | Deposit date: | 2019-05-27 | Release date: | 2020-03-18 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.96 Å) | Cite: | The structural basis of fungal glucuronoyl esterase activity on natural substrates. Nat Commun, 11, 2020
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5TVP
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![BU of 5tvp by Molmil](/molmil-images/mine/5tvp) | |
4AUX
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![BU of 4aux by Molmil](/molmil-images/mine/4aux) | Tet repressor class D in complex with 9-nitrotetracycline | Descriptor: | (4S,4aS,5aR,12aS)-4-(dimethylamino)-3,10,12,12a-tetrahydroxy-9-nitro-1,11-dioxo-1,4,4a,5,5a,6,11,12a-octahydrotetracene-2-carboxamide, CHLORIDE ION, MAGNESIUM ION, ... | Authors: | Orth, P, Saenger, W, Hinrichs, W. | Deposit date: | 2012-05-22 | Release date: | 2012-05-30 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.25 Å) | Cite: | Tet Repressor Class D in Complex with 9-Nitrotetracycline and Magnesium To be Published
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5U6S
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![BU of 5u6s by Molmil](/molmil-images/mine/5u6s) | Crystal structure of UDP-glucosyltransferase, UGT74F2, with UDP and 2-bromobenzoic acid | Descriptor: | 2-bromobenzoic acid, UDP-glycosyltransferase 74F2, URIDINE-5'-DIPHOSPHATE, ... | Authors: | George Thompson, A.M, Iancu, C.V, Dean, J.V, Choe, J. | Deposit date: | 2016-12-08 | Release date: | 2017-05-03 | Last modified: | 2020-07-29 | Method: | X-RAY DIFFRACTION (1.996 Å) | Cite: | Differences in salicylic acid glucose conjugations by UGT74F1 and UGT74F2 from Arabidopsis thaliana. Sci Rep, 7, 2017
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4B1W
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![BU of 4b1w by Molmil](/molmil-images/mine/4b1w) | Structure of the Phactr1 RPEL-2 domain bound to actin | Descriptor: | ACTIN, ALPHA SKELETAL MUSCLE, ADENOSINE-5'-TRIPHOSPHATE, ... | Authors: | Mouilleron, S, Wiezlak, M, O'Reilly, N, Treisman, R, McDonald, N.Q. | Deposit date: | 2012-07-12 | Release date: | 2013-07-31 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (1.95 Å) | Cite: | Structures of the Phactr1 RPEL domain and RPEL motif complexes with G-actin reveal the molecular basis for actin binding cooperativity. Structure, 20, 2012
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8F7J
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![BU of 8f7j by Molmil](/molmil-images/mine/8f7j) | LRRC8A(T48D):C conformation 2 top focus | Descriptor: | Volume-regulated anion channel subunit LRRC8A,Soluble cytochrome b562 | Authors: | Kern, D.M, Brohawn, S.G. | Deposit date: | 2022-11-18 | Release date: | 2023-03-08 | Last modified: | 2024-05-22 | Method: | ELECTRON MICROSCOPY (4.32 Å) | Cite: | Structural basis for assembly and lipid-mediated gating of LRRC8A:C volume-regulated anion channels. Nat.Struct.Mol.Biol., 30, 2023
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2MOA
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![BU of 2moa by Molmil](/molmil-images/mine/2moa) | |
4B1U
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![BU of 4b1u by Molmil](/molmil-images/mine/4b1u) | Structure of the Phactr1 RPEL domain and RPEL motif directed assemblies with G-actin reveal the molecular basis for actin binding cooperativity. | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, ACTIN, ALPHA SKELETAL MUSCLE, ... | Authors: | Mouilleron, S, Wiezlak, M, O'Reilly, N, Treisman, R, McDonald, N.Q. | Deposit date: | 2012-07-12 | Release date: | 2013-07-31 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Structures of the Phactr1 RPEL domain and RPEL motif complexes with G-actin reveal the molecular basis for actin binding cooperativity. Structure, 20, 2012
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8F7B
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![BU of 8f7b by Molmil](/molmil-images/mine/8f7b) | LRRC8A(T48D):C conformation 2 top focus | Descriptor: | 1,2-dioleoyl-sn-glycero-3-phosphoethanolamine, Volume-regulated anion channel subunit LRRC8A,Soluble cytochrome b562, Volume-regulated anion channel subunit LRRC8C | Authors: | Kern, D.M, Brohawn, S.G. | Deposit date: | 2022-11-18 | Release date: | 2023-03-08 | Last modified: | 2023-07-05 | Method: | ELECTRON MICROSCOPY (3.15 Å) | Cite: | Structural basis for assembly and lipid-mediated gating of LRRC8A:C volume-regulated anion channels. Nat.Struct.Mol.Biol., 30, 2023
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8F7E
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![BU of 8f7e by Molmil](/molmil-images/mine/8f7e) | LRRC8A(T48D):C conformation 2 top focus | Descriptor: | Volume-regulated anion channel subunit LRRC8A,Soluble cytochrome b562 | Authors: | Kern, D.M, Brohawn, S.G. | Deposit date: | 2022-11-18 | Release date: | 2023-03-08 | Last modified: | 2024-05-22 | Method: | ELECTRON MICROSCOPY (4.13 Å) | Cite: | Structural basis for assembly and lipid-mediated gating of LRRC8A:C volume-regulated anion channels. Nat.Struct.Mol.Biol., 30, 2023
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