6AU1
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![BU of 6au1 by Molmil](/molmil-images/mine/6au1) | Structure of the PgaB (BpsB) glycoside hydrolase domain from Bordetella bronchiseptica | Descriptor: | 1,2-ETHANEDIOL, CHLORIDE ION, Putative hemin storage protein, ... | Authors: | Little, D.J, Bamford, N.C, Howell, P.L. | Deposit date: | 2017-08-30 | Release date: | 2018-04-18 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (1.76 Å) | Cite: | PgaB orthologues contain a glycoside hydrolase domain that cleaves deacetylated poly-beta (1,6)-N-acetylglucosamine and can disrupt bacterial biofilms. PLoS Pathog., 14, 2018
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1AOO
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![BU of 1aoo by Molmil](/molmil-images/mine/1aoo) | AG-SUBSTITUTED METALLOTHIONEIN FROM SACCHAROMYCES CEREVISIAE, NMR, MINIMIZED AVERAGE STRUCTURE | Descriptor: | AG-METALLOTHIONEIN, SILVER ION | Authors: | Peterson, C.W, Narula, S.S, Armitage, I.M. | Deposit date: | 1997-07-08 | Release date: | 1997-12-24 | Last modified: | 2024-05-22 | Method: | SOLUTION NMR | Cite: | 3D solution structure of copper and silver-substituted yeast metallothioneins. FEBS Lett., 379, 1996
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1AQS
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![BU of 1aqs by Molmil](/molmil-images/mine/1aqs) | CU-METALLOTHIONEIN FROM SACCHAROMYCES CEREVISIAE, NMR, 10 STRUCTURES | Descriptor: | COPPER (I) ION, CU-METALLOTHIONEIN | Authors: | Peterson, C.W, Narula, S.S, Armitage, I.M. | Deposit date: | 1997-07-31 | Release date: | 1997-12-24 | Last modified: | 2024-05-22 | Method: | SOLUTION NMR | Cite: | 3D solution structure of copper and silver-substituted yeast metallothioneins. FEBS Lett., 379, 1996
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7WCK
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7W1O
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![BU of 7w1o by Molmil](/molmil-images/mine/7w1o) | Deactive state CI from Q10-NADH dataset, Subclass 1 | Descriptor: | (9R,11S)-9-({[(1S)-1-HYDROXYHEXADECYL]OXY}METHYL)-2,2-DIMETHYL-5,7,10-TRIOXA-2LAMBDA~5~-AZA-6LAMBDA~5~-PHOSPHAOCTACOSANE-6,6,11-TRIOL, 1,2-dioleoyl-sn-glycero-3-phosphoethanolamine, 1,4-DIHYDRONICOTINAMIDE ADENINE DINUCLEOTIDE, ... | Authors: | Gu, J.K, Yang, M.J. | Deposit date: | 2021-11-19 | Release date: | 2022-12-21 | Last modified: | 2023-06-28 | Method: | ELECTRON MICROSCOPY (3.5 Å) | Cite: | The coupling mechanism of mammalian mitochondrial complex I. Nat.Struct.Mol.Biol., 29, 2022
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5MDW
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![BU of 5mdw by Molmil](/molmil-images/mine/5mdw) | Structure of ArfA(A18T) and RF2 bound to the 70S ribosome (pre-accommodated state) | Descriptor: | 16S ribosomal RNA, 23S ribosomal RNA, 30S ribosomal protein S10, ... | Authors: | James, N.R, Brown, A, Gordiyenko, Y, Ramakrishnan, V. | Deposit date: | 2016-11-13 | Release date: | 2016-12-14 | Last modified: | 2024-04-24 | Method: | ELECTRON MICROSCOPY (3.06 Å) | Cite: | Translational termination without a stop codon. Science, 354, 2016
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5YDI
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![BU of 5ydi by Molmil](/molmil-images/mine/5ydi) | Crystal structure of acetylcholinesterase catalytic subunits of the malaria vector anopheles gambiae, new crystal packing | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Acetylcholinesterase, GLYCEROL, ... | Authors: | Han, Q, Guan, H, Ding, H, Liao, C, Robinson, H, Li, J. | Deposit date: | 2017-09-13 | Release date: | 2018-03-07 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (3.45 Å) | Cite: | Crystal structures of acetylcholinesterase of the malaria vector Anopheles gambiae reveal a polymerization interface, ligand binding residues and post translational modifications To Be Published
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7VZ8
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![BU of 7vz8 by Molmil](/molmil-images/mine/7vz8) | Membrane arm of deactive state CI from Q1-NADH dataset | Descriptor: | (9R,11S)-9-({[(1S)-1-HYDROXYHEXADECYL]OXY}METHYL)-2,2-DIMETHYL-5,7,10-TRIOXA-2LAMBDA~5~-AZA-6LAMBDA~5~-PHOSPHAOCTACOSANE-6,6,11-TRIOL, 1,2-dioleoyl-sn-glycero-3-phosphoethanolamine, ADENOSINE-5'-DIPHOSPHATE, ... | Authors: | Gu, J, Yang, M. | Deposit date: | 2021-11-15 | Release date: | 2022-12-28 | Last modified: | 2023-06-28 | Method: | ELECTRON MICROSCOPY (2.7 Å) | Cite: | The coupling mechanism of mammalian mitochondrial complex I. Nat.Struct.Mol.Biol., 29, 2022
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7VZ1
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![BU of 7vz1 by Molmil](/molmil-images/mine/7vz1) | Matrix arm of deactive state CI from Q1-NADH dataset | Descriptor: | (9R,11S)-9-({[(1S)-1-HYDROXYHEXADECYL]OXY}METHYL)-2,2-DIMETHYL-5,7,10-TRIOXA-2LAMBDA~5~-AZA-6LAMBDA~5~-PHOSPHAOCTACOSANE-6,6,11-TRIOL, 1,2-dioleoyl-sn-glycero-3-phosphoethanolamine, 1,4-DIHYDRONICOTINAMIDE ADENINE DINUCLEOTIDE, ... | Authors: | Gu, J, Yang, M. | Deposit date: | 2021-11-15 | Release date: | 2022-12-28 | Last modified: | 2023-06-28 | Method: | ELECTRON MICROSCOPY (2.5 Å) | Cite: | The coupling mechanism of mammalian mitochondrial complex I. Nat.Struct.Mol.Biol., 29, 2022
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7WCU
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![BU of 7wcu by Molmil](/molmil-images/mine/7wcu) | |
7WCH
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7WCP
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1TOR
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![BU of 1tor by Molmil](/molmil-images/mine/1tor) | MOLECULAR DYNAMICS SIMULATION FROM 2D-NMR DATA OF THE FREE ACHR MIR DECAPEPTIDE AND THE ANTIBODY-BOUND [A76]MIR ANALOGUE | Descriptor: | ACETYLCHOLINE RECEPTOR, MAIN IMMUNOGENIC REGION | Authors: | Orlewski, P, Tsikaris, V, Sakarellos, C, Sakarellos-Daistiotis, M, Vatzaki, E, Tzartos, S.J, Marraud, M, Cung, M.T. | Deposit date: | 1995-10-11 | Release date: | 1996-03-08 | Last modified: | 2024-05-01 | Method: | SOLUTION NMR | Cite: | Compared structures of the free nicotinic acetylcholine receptor main immunogenic region (MIR) decapeptide and the antibody-bound [A76]MIR analogue: a molecular dynamics simulation from two-dimensional NMR data. Biopolymers, 40, 1996
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7W1P
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![BU of 7w1p by Molmil](/molmil-images/mine/7w1p) | Deactive state CI from Q10-NADH dataset, Subclass 2 | Descriptor: | (9R,11S)-9-({[(1S)-1-HYDROXYHEXADECYL]OXY}METHYL)-2,2-DIMETHYL-5,7,10-TRIOXA-2LAMBDA~5~-AZA-6LAMBDA~5~-PHOSPHAOCTACOSANE-6,6,11-TRIOL, 1,2-dioleoyl-sn-glycero-3-phosphoethanolamine, 1,4-DIHYDRONICOTINAMIDE ADENINE DINUCLEOTIDE, ... | Authors: | Gu, J.K, Yang, M.J. | Deposit date: | 2021-11-19 | Release date: | 2022-12-28 | Last modified: | 2023-06-28 | Method: | ELECTRON MICROSCOPY (3.1 Å) | Cite: | The coupling mechanism of mammalian mitochondrial complex I. Nat.Struct.Mol.Biol., 29, 2022
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6B41
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![BU of 6b41 by Molmil](/molmil-images/mine/6b41) | Menin bound to M-525 | Descriptor: | Menin, methyl {(1S,2R)-2-[(S)-cyano[1-({1-[4-({1-[4-(dimethylamino)butanoyl]azetidin-3-yl}sulfonyl)phenyl]azetidin-3-yl}methyl)piperidin-4-yl](3-fluorophenyl)methyl]cyclopentyl}carbamate, praseodymium triacetate | Authors: | Stuckey, J.A. | Deposit date: | 2017-09-25 | Release date: | 2018-01-24 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (2.61 Å) | Cite: | Design of the First-in-Class, Highly Potent Irreversible Inhibitor Targeting the Menin-MLL Protein-Protein Interaction. Angew. Chem. Int. Ed. Engl., 57, 2018
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1ZBI
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![BU of 1zbi by Molmil](/molmil-images/mine/1zbi) | Bacillus halodurans RNase H catalytic domain mutant D132N in complex with 12-mer RNA/DNA hybrid | Descriptor: | 5'-D(*GP*AP*AP*TP*CP*AP*GP*GP*TP*GP*TP*C)-3', 5'-R(*GP*AP*CP*AP*CP*CP*UP*GP*AP*UP*UP*C)-3', MAGNESIUM ION, ... | Authors: | Nowotny, M, Gaidamakov, S.A, Crouch, R.J, Yang, W. | Deposit date: | 2005-04-08 | Release date: | 2005-07-12 | Last modified: | 2023-08-23 | Method: | X-RAY DIFFRACTION (1.85 Å) | Cite: | Crystal Structures of RNase H Bound to an RNA/DNA Hybrid: Substrate Specificity and Metal-Dependent Catalysis. Cell(Cambridge,Mass.), 121, 2005
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6H8M
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1ZFV
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![BU of 1zfv by Molmil](/molmil-images/mine/1zfv) | The structure of an all-RNA minimal Hairpin Ribozyme with Mutation G8A at the cleavage site | Descriptor: | 5'-R(*CP*GP*GP*UP*GP*AP*AP*AP*AP*GP*GP*G)-3', 5'-R(*GP*GP*CP*AP*GP*AP*GP*AP*AP*AP*CP*AP*CP*AP*CP*GP*A)-3', 5'-R(*UP*CP*CP*CP*AP*GP*UP*CP*CP*AP*CP*CP*G)-3', ... | Authors: | Wedekind, J.E. | Deposit date: | 2005-04-20 | Release date: | 2006-02-14 | Last modified: | 2023-08-23 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Water in the Active Site of an All-RNA Hairpin Ribozyme and Effects of Gua8 Base Variants on the Geometry of Phosphoryl Transfer. Biochemistry, 45, 2006
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7W1U
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![BU of 7w1u by Molmil](/molmil-images/mine/7w1u) | Active state CI from Rotenone dataset, Subclass 2 | Descriptor: | (2R,6aS,12aS)-8,9-dimethoxy-2-(prop-1-en-2-yl)-1,2,12,12a-tetrahydrofuro[2',3':7,8][1]benzopyrano[2,3-c][1]benzopyran-6(6aH)-one, (9R,11S)-9-({[(1S)-1-HYDROXYHEXADECYL]OXY}METHYL)-2,2-DIMETHYL-5,7,10-TRIOXA-2LAMBDA~5~-AZA-6LAMBDA~5~-PHOSPHAOCTACOSANE-6,6,11-TRIOL, 1,2-dioleoyl-sn-glycero-3-phosphoethanolamine, ... | Authors: | Gu, J.K, Yang, M.J. | Deposit date: | 2021-11-20 | Release date: | 2023-01-18 | Method: | ELECTRON MICROSCOPY (3.2 Å) | Cite: | The coupling mechanism of mammalian mitochondrial complex I. Nat.Struct.Mol.Biol., 29, 2022
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6B1O
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![BU of 6b1o by Molmil](/molmil-images/mine/6b1o) | The structure of DPP4 in complex with Vildagliptin Analog | Descriptor: | (2S)-2-amino-1-[(1S,3S,5S)-3-(aminomethyl)-2-azabicyclo[3.1.0]hexan-2-yl]-2-[(1r,3R,5S,7S)-3,5-dihydroxytricyclo[3.3.1.1~3,7~]decan-1-yl]ethan-1-one, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | Authors: | Scapin, G. | Deposit date: | 2017-09-18 | Release date: | 2017-09-27 | Last modified: | 2020-07-29 | Method: | X-RAY DIFFRACTION (1.91 Å) | Cite: | A comparative study of the binding properties, dipeptidyl peptidase-4 (DPP-4) inhibitory activity and glucose-lowering efficacy of the DPP-4 inhibitors alogliptin, linagliptin, saxagliptin, sitagliptin and vildagliptin in mice. Endocrinol Diabetes Metab, 1, 2018
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7W2Y
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![BU of 7w2y by Molmil](/molmil-images/mine/7w2y) | Active state CI from DQ-NADH dataset, Subclass 3 | Descriptor: | (9R,11S)-9-({[(1S)-1-HYDROXYHEXADECYL]OXY}METHYL)-2,2-DIMETHYL-5,7,10-TRIOXA-2LAMBDA~5~-AZA-6LAMBDA~5~-PHOSPHAOCTACOSANE-6,6,11-TRIOL, 1,2-dioleoyl-sn-glycero-3-phosphoethanolamine, 1,4-DIHYDRONICOTINAMIDE ADENINE DINUCLEOTIDE, ... | Authors: | Gu, J.K, Yang, M.J. | Deposit date: | 2021-11-24 | Release date: | 2023-02-01 | Method: | ELECTRON MICROSCOPY (2.7 Å) | Cite: | The coupling mechanism of mammalian mitochondrial complex I. Nat.Struct.Mol.Biol., 29, 2022
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5YSY
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![BU of 5ysy by Molmil](/molmil-images/mine/5ysy) | Crystal structure of the human vitamin D receptor ligand binding domain complexed with (1R,2R,3R)-5-[(E)-2-{(1R,3aS,7aR)-1-[(R)-6-hydroxy-6-methylheptan-2-yl]-7a-methyl-2,3,3a,6,7,7a-hexahydro-1H-inden-4-yl}vinyl]-2-(3-hydroxypropyl)cyclohex-4-ene-1,3-diol | Descriptor: | (1R,2R,3R)-5-[(E)-2-[(1R,3aS,7aR)-7a-methyl-1-[(2R)-6-methyl-6-oxidanyl-heptan-2-yl]-1,2,3,3a,6,7-hexahydroinden-4-yl]e thenyl]-2-(3-oxidanylpropyl)cyclohex-4-ene-1,3-diol, Vitamin D3 receptor | Authors: | Takimoto-Kamimura, M, Kakuda, S. | Deposit date: | 2017-11-16 | Release date: | 2018-04-11 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Effects of 2-substitution on 14-epi-19-nortachysterol-mediated biological events: based on synthesis and X-ray co-crystallographic analysis with the human vitamin D receptor. Org. Biomol. Chem., 16, 2018
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7W4C
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![BU of 7w4c by Molmil](/molmil-images/mine/7w4c) | Active state CI from Q1-NADH dataset, Subclass 1 | Descriptor: | (9R,11S)-9-({[(1S)-1-HYDROXYHEXADECYL]OXY}METHYL)-2,2-DIMETHYL-5,7,10-TRIOXA-2LAMBDA~5~-AZA-6LAMBDA~5~-PHOSPHAOCTACOSANE-6,6,11-TRIOL, 1,2-dioleoyl-sn-glycero-3-phosphoethanolamine, 1,4-DIHYDRONICOTINAMIDE ADENINE DINUCLEOTIDE, ... | Authors: | Gu, J.K, Yang, M.J. | Deposit date: | 2021-11-27 | Release date: | 2023-02-01 | Method: | ELECTRON MICROSCOPY (2.7 Å) | Cite: | The coupling mechanism of mammalian mitochondrial complex I. Nat.Struct.Mol.Biol., 29, 2022
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5YT2
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![BU of 5yt2 by Molmil](/molmil-images/mine/5yt2) | Crystal structure of the human vitamin D receptor ligand binding domain complexed with (1R,2S,3R)-5-[(E)-2-{(1R,3aS,7aR)-1-[(R)-6-hydroxy-6-methylheptan-2-yl]-7a-methyl-2,3,3a,6,7,7a-hexahydro-1H-inden-4-yl}vinyl]-2-(3-hydroxypropyl)cyclohex-4-ene-1,3-diol | Descriptor: | (1R,2S,3R)-5-[(E)-2-[(1R,3aS,7aR)-7a-methyl-1-[(2R)-6-methyl-6-oxidanyl-heptan-2-yl]-1,2,3,3a,6,7-hexahydroinden-4-yl]ethenyl]-2-(3-oxidanylpropyl)cyclohex-4-ene-1,3-diol, Vitamin D3 receptor | Authors: | Takimoto-Kamimura, M, Kakuda, S. | Deposit date: | 2017-11-16 | Release date: | 2018-04-11 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Effects of 2-substitution on 14-epi-19-nortachysterol-mediated biological events: based on synthesis and X-ray co-crystallographic analysis with the human vitamin D receptor. Org. Biomol. Chem., 16, 2018
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1UCF
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![BU of 1ucf by Molmil](/molmil-images/mine/1ucf) | The Crystal Structure of DJ-1, a Protein Related to Male Fertility and Parkinson's Disease | Descriptor: | RNA-binding protein regulatory subunit | Authors: | Honbou, K, Suzuki, N.N, Horiuchi, M, Niki, T, Taira, T, Ariga, H, Inagaki, F. | Deposit date: | 2003-04-11 | Release date: | 2003-08-19 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (1.95 Å) | Cite: | The Crystal Structure of DJ-1, a Protein Related to Male Fertility and Parkinson's Disease J.BIOL.CHEM., 278, 2003
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