2AQB
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![BU of 2aqb by Molmil](/molmil-images/mine/2aqb) | Structure-activity relationships at the 5-position of thiolactomycin: an intact 5(R)-isoprene unit is required for activity against the condensing enzymes from Mycobacterium tuberculosis and Escherchia coli | Descriptor: | (5R)-5-[(1E)-BUTA-1,3-DIENYL]-4-HYDROXY-3,5-DIMETHYLTHIOPHEN-2(5H)-ONE, 3-oxoacyl-[acyl-carrier-protein] synthase I | Authors: | Kim, P, Zhang, Y.M, Shenoy, G, Nguyen, Q.A, Boshoff, H.I, Manjunatha, U.H, Goodwin, M.B, Lonsdale, J, Price, A.C, Miller, D.J. | Deposit date: | 2005-08-17 | Release date: | 2006-01-17 | Last modified: | 2023-08-23 | Method: | X-RAY DIFFRACTION (2.19 Å) | Cite: | Structure-Activity Relationships at the 5-Position of Thiolactomycin: An Intact (5R)-Isoprene Unit Is Required for Activity against the Condensing Enzymes from Mycobacterium tuberculosis and Escherichia coli J.Med.Chem., 49, 2006
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2ANQ
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![BU of 2anq by Molmil](/molmil-images/mine/2anq) | Crystal Structure of E.coli DHFR in complex with NADPH and the inhibitor compound 10a. | Descriptor: | (2,5-dimethylbenzene-1,4-diyl)dimethanediyl bis(N-carbamimidoylcarbamimidothioate), Dihydrofolate reductase, MANGANESE (II) ION, ... | Authors: | Summerfield, R.L, Daigle, D.M, Mayer, S, Jackson, S.G, Organ, M, Hughes, D.W, Brown, E.D, Junop, M.S. | Deposit date: | 2005-08-11 | Release date: | 2006-07-25 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (2.13 Å) | Cite: | A 2.13 A Structure of E. coli Dihydrofolate Reductase Bound to a Novel Competitive Inhibitor Reveals a New Binding Surface Involving the M20 Loop Region J.Med.Chem., 49, 2006
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7CQT
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![BU of 7cqt by Molmil](/molmil-images/mine/7cqt) | Crystal structure of Brassica juncea HMG-CoA synthase 1 mutant - S359A in complex with acetyl-CoA | Descriptor: | 3-hydroxy-3-methylglutaryl coenzyme A synthase, ACETYL COENZYME *A, ADENOSINE-3'-5'-DIPHOSPHATE | Authors: | Liao, P, Hu, M, Kong, G.K.W, Hao, Q, Chye, M.L. | Deposit date: | 2020-08-11 | Release date: | 2021-07-14 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Overexpression and Inhibition of 3-Hydroxy-3-Methylglutaryl-CoA Synthase Affect Central Metabolic Pathways in Tobacco. Plant Cell.Physiol., 62, 2021
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2LQA
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2M2F
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![BU of 2m2f by Molmil](/molmil-images/mine/2m2f) | The membran-proximal domain of ADAM17 | Descriptor: | Disintegrin and metalloproteinase domain-containing protein 17 | Authors: | Duesterhoeft, S, Jung, S, Hung, C, Tholey, A, Soennichsen, F.D, Groetzinger, J, Lorenzen, I. | Deposit date: | 2012-12-20 | Release date: | 2013-04-10 | Last modified: | 2023-06-14 | Method: | SOLUTION NMR | Cite: | Membrane-proximal domain of a disintegrin and metalloprotease-17 represents the putative molecular switch of its shedding activity operated by protein-disulfide isomerase. J.Am.Chem.Soc., 135, 2013
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2M3J
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2LZY
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![BU of 2lzy by Molmil](/molmil-images/mine/2lzy) | |
7ZKB
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![BU of 7zkb by Molmil](/molmil-images/mine/7zkb) | ABCB1 V978C mutant (mABCB1) in the inward facing state | Descriptor: | (4S,11S,18S)-4-[[(2,4-dinitrophenyl)disulfanyl]methyl]-11,18-dimethyl-6,13,20-trithia-3,10,17,22,23,24-hexazatetracyclo[17.2.1.1^{5,8}.1^{12,15}]tetracosa-1(21),5(24),7,12(23),14,19(22)-hexaene-2,9,16-trione, (4~{S},11~{S},18~{S})-4,11-dimethyl-18-(sulfanylmethyl)-6,13,20-trithia-3,10,17,22,23,24-hexazatetracyclo[17.2.1.1^{5,8}.1^{12,15}]tetracosa-1(21),5(24),7,12(23),14,19(22)-hexaene-2,9,16-trione, ATP-dependent translocase ABCB1 | Authors: | Parey, K, Januliene, D, Gewering, T, Moeller, A. | Deposit date: | 2022-04-12 | Release date: | 2023-04-26 | Last modified: | 2024-03-20 | Method: | ELECTRON MICROSCOPY (4.7 Å) | Cite: | Tracing the substrate translocation mechanism in P-glycoprotein. Elife, 12, 2024
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7ZK8
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![BU of 7zk8 by Molmil](/molmil-images/mine/7zk8) | ABCB1 L971C mutant (mABCB1) in the outward facing state bound to AAC | Descriptor: | (4~{S},11~{S},18~{S})-4,11-dimethyl-18-(sulfanylmethyl)-6,13,20-trithia-3,10,17,22,23,24-hexazatetracyclo[17.2.1.1^{5,8}.1^{12,15}]tetracosa-1(21),5(24),7,12(23),14,19(22)-hexaene-2,9,16-trione, ADENOSINE-5'-TRIPHOSPHATE, ATP-dependent translocase ABCB1, ... | Authors: | Parey, K, Januliene, D, Gewering, T, Moeller, A. | Deposit date: | 2022-04-12 | Release date: | 2023-04-26 | Last modified: | 2024-03-20 | Method: | ELECTRON MICROSCOPY (3 Å) | Cite: | Tracing the substrate translocation mechanism in P-glycoprotein. Elife, 12, 2024
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8AVY
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![BU of 8avy by Molmil](/molmil-images/mine/8avy) | The ABCB1 L335C mutant (mABCB1) in the Apo state | Descriptor: | ADENOSINE-5'-TRIPHOSPHATE, ATP-dependent translocase ABCB1, CHOLESTEROL HEMISUCCINATE, ... | Authors: | Parey, K, Januliene, D, Gewering, T, Moeller, A. | Deposit date: | 2022-08-27 | Release date: | 2023-09-06 | Last modified: | 2024-03-20 | Method: | ELECTRON MICROSCOPY (2.9 Å) | Cite: | Tracing the substrate translocation mechanism in P-glycoprotein. Elife, 12, 2024
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7ZKA
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![BU of 7zka by Molmil](/molmil-images/mine/7zka) | ABCB1 V978C mutant (mABCB1) in the outward facing state bound to AAC | Descriptor: | (4~{S},11~{S},18~{S})-4,11-dimethyl-18-(sulfanylmethyl)-6,13,20-trithia-3,10,17,22,23,24-hexazatetracyclo[17.2.1.1^{5,8}.1^{12,15}]tetracosa-1(21),5(24),7,12(23),14,19(22)-hexaene-2,9,16-trione, ADENOSINE-5'-TRIPHOSPHATE, ATP-dependent translocase ABCB1, ... | Authors: | Parey, K, Januliene, D, Gewering, T, Urbatsch, I, Zhang, Q, Moeller, A. | Deposit date: | 2022-04-12 | Release date: | 2023-04-26 | Last modified: | 2024-03-20 | Method: | ELECTRON MICROSCOPY (2.9 Å) | Cite: | Tracing the substrate translocation mechanism in P-glycoprotein. Elife, 12, 2024
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7ZK5
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![BU of 7zk5 by Molmil](/molmil-images/mine/7zk5) | ABCB1 L335C mutant (mABCB1) in the outward facing state bound to AAC | Descriptor: | (4~{S},11~{S},18~{S})-4,11-dimethyl-18-(sulfanylmethyl)-6,13,20-trithia-3,10,17,22,23,24-hexazatetracyclo[17.2.1.1^{5,8}.1^{12,15}]tetracosa-1(21),5(24),7,12(23),14,19(22)-hexaene-2,9,16-trione, ADENOSINE-5'-TRIPHOSPHATE, ATP-dependent translocase ABCB1, ... | Authors: | Parey, K, Januliene, D, Gewering, T, Moeller, A. | Deposit date: | 2022-04-12 | Release date: | 2023-04-26 | Last modified: | 2024-03-20 | Method: | ELECTRON MICROSCOPY (2.6 Å) | Cite: | Tracing the substrate translocation mechanism in P-glycoprotein. Elife, 12, 2024
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7ZK6
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![BU of 7zk6 by Molmil](/molmil-images/mine/7zk6) | ABCB1 L335C mutant (mABCB1) in the outward facing state bound to 2 molecules of AAC | Descriptor: | (4S,11S,18S)-4-[[(2,4-dinitrophenyl)disulfanyl]methyl]-11,18-dimethyl-6,13,20-trithia-3,10,17,22,23,24-hexazatetracyclo[17.2.1.1^{5,8}.1^{12,15}]tetracosa-1(21),5(24),7,12(23),14,19(22)-hexaene-2,9,16-trione, (4~{S},11~{S},18~{S})-4,11-dimethyl-18-(sulfanylmethyl)-6,13,20-trithia-3,10,17,22,23,24-hexazatetracyclo[17.2.1.1^{5,8}.1^{12,15}]tetracosa-1(21),5(24),7,12(23),14,19(22)-hexaene-2,9,16-trione, ADENOSINE-5'-TRIPHOSPHATE, ... | Authors: | Parey, K, Januliene, D, Gewering, T, Moeller, A. | Deposit date: | 2022-04-12 | Release date: | 2023-04-26 | Last modified: | 2024-03-20 | Method: | ELECTRON MICROSCOPY (3.1 Å) | Cite: | Tracing the substrate translocation mechanism in P-glycoprotein. Elife, 12, 2024
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7ZK9
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![BU of 7zk9 by Molmil](/molmil-images/mine/7zk9) | ABCB1 L971C mutant (mABCB1) in the inward facing state | Descriptor: | (4~{S},11~{S},18~{S})-4,11-dimethyl-18-(sulfanylmethyl)-6,13,20-trithia-3,10,17,22,23,24-hexazatetracyclo[17.2.1.1^{5,8}.1^{12,15}]tetracosa-1(21),5(24),7,12(23),14,19(22)-hexaene-2,9,16-trione, ATP-dependent translocase ABCB1 | Authors: | Parey, K, Januliene, D, Gewering, T, Zhang, Q, Moeller, A. | Deposit date: | 2022-04-12 | Release date: | 2023-04-26 | Last modified: | 2024-03-20 | Method: | ELECTRON MICROSCOPY (4.3 Å) | Cite: | Tracing the substrate translocation mechanism in P-glycoprotein. Elife, 12, 2024
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7ZK4
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![BU of 7zk4 by Molmil](/molmil-images/mine/7zk4) | The ABCB1 L335C mutant (mABCB1) in the outward facing state | Descriptor: | ADENOSINE-5'-TRIPHOSPHATE, ATP-dependent translocase ABCB1, CHOLESTEROL HEMISUCCINATE, ... | Authors: | Parey, K, Januliene, D, Gewering, T, Moeller, A. | Deposit date: | 2022-04-12 | Release date: | 2023-04-26 | Last modified: | 2024-03-20 | Method: | ELECTRON MICROSCOPY (2.6 Å) | Cite: | Tracing the substrate translocation mechanism in P-glycoprotein. Elife, 12, 2024
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9C4I
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![BU of 9c4i by Molmil](/molmil-images/mine/9c4i) | Centrolobium microchaete seed lectin (CML) complexed with Man1-3Man-OMe | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, GLYCEROL, ... | Authors: | Nascimento, K.S, Pinto-Junior, V.R, Lima, F.E.O, Osterne, V.J.S, Oliveira, M.V, Ferreira, V.M.S, Cavada, B.S. | Deposit date: | 2024-06-04 | Release date: | 2024-06-26 | Method: | X-RAY DIFFRACTION (1.3 Å) | Cite: | Centrolobium microchaete seed lectin (CML) complexed with Man1-3Man-OMe To Be Published
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5KUJ
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![BU of 5kuj by Molmil](/molmil-images/mine/5kuj) | Human mitochondrial calcium uniporter (residues 72-189) crystal structure with magnesium. | Descriptor: | Calcium uniporter protein, mitochondrial, MAGNESIUM ION | Authors: | Mok, M.C.Y, Lee, S.K, Junop, M.S, Stathopulos, P.B. | Deposit date: | 2016-07-13 | Release date: | 2016-09-07 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Structural Insights into Mitochondrial Calcium Uniporter Regulation by Divalent Cations. Cell Chem Biol, 23, 2016
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5KUG
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![BU of 5kug by Molmil](/molmil-images/mine/5kug) | Human mitochondrial calcium uniporter (residues 72-189) crystal structure with lithium | Descriptor: | Calcium uniporter protein, mitochondrial | Authors: | Mok, M.C.Y, Lee, S.K, Junop, M.S, Stathopulos, P.B. | Deposit date: | 2016-07-13 | Release date: | 2016-09-07 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Structural Insights into Mitochondrial Calcium Uniporter Regulation by Divalent Cations. Cell Chem Biol, 23, 2016
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1F44
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![BU of 1f44 by Molmil](/molmil-images/mine/1f44) | CRYSTAL STRUCTURE OF TRIMERIC CRE RECOMBINASE-LOX COMPLEX | Descriptor: | CRE RECOMBINASE, DNA (5'- D(*TP*AP*TP*AP*AP*CP*TP*TP*CP*GP*TP*AP*TP*AP*GP*C)-3'), DNA (5'-D(*AP*TP*AP*TP*GP*CP*TP*AP*TP*AP*CP*GP*AP*AP*GP*TP*TP*AP*T)-3') | Authors: | Baldwin, E.P, Woods, K.C. | Deposit date: | 2000-06-07 | Release date: | 2001-10-12 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (2.05 Å) | Cite: | Quasi-equivalence in site-specific recombinase structure and function: crystal structure and activity of trimeric Cre recombinase bound to a three-way Lox DNA junction. J.Mol.Biol., 313, 2001
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5KKM
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![BU of 5kkm by Molmil](/molmil-images/mine/5kkm) | Con-Vc11-22 | Descriptor: | O2_contryphan_Vc1 prepropeptide | Authors: | Chittoor, B, Krishnarjuna, B, MacRaild, C.A, Robinson, S.D. | Deposit date: | 2016-06-22 | Release date: | 2017-05-31 | Last modified: | 2023-06-14 | Method: | SOLUTION NMR | Cite: | The Single Disulfide-Directed beta-Hairpin Fold. Dynamics, Stability, and Engineering. Biochemistry, 56, 2017
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6MHY
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6MYF
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![BU of 6myf by Molmil](/molmil-images/mine/6myf) | |
5JK9
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![BU of 5jk9 by Molmil](/molmil-images/mine/5jk9) | Crystal structure of human IZUMO1 | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Izumo sperm-egg fusion protein 1 | Authors: | Ohto, U, Ishida, H, Shimizu, T. | Deposit date: | 2016-04-26 | Release date: | 2016-06-22 | Last modified: | 2020-07-29 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Structure of IZUMO1-JUNO reveals sperm-oocyte recognition during mammalian fertilization Nature, 534, 2016
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2KDU
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![BU of 2kdu by Molmil](/molmil-images/mine/2kdu) | Structural basis of the Munc13-1/Ca2+-Calmodulin interaction: A novel 1-26 calmodulin binding motif with a bipartite binding mode | Descriptor: | CALCIUM ION, Calmodulin, Protein unc-13 homolog A | Authors: | Rodriguez-Castaneda, F.A, Maestre-Martinez, M, Coudevylle, N, Dimova, K, Jahn, O, Junge, H, Becker, S, Brose, N, Carlomagno, T, Griesinger, C. | Deposit date: | 2009-01-19 | Release date: | 2009-12-15 | Last modified: | 2024-05-22 | Method: | SOLUTION NMR | Cite: | Modular architecture of Munc13/calmodulin complexes: dual regulation by Ca2+ and possible function in short-term synaptic plasticity. Embo J., 29, 2010
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1KAJ
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![BU of 1kaj by Molmil](/molmil-images/mine/1kaj) | |