3M36
 
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7C1S
 | | Crystal structure of the starter condensation domain of rhizomide synthetase RzmA mutant H140A/R148A in complex with C8-CoA and Leu-SNAC | | Descriptor: | Non-ribosomal peptide synthetase modules, OCTANOYL-COENZYME A, S-(2-acetamidoethyl) (2S)-2-azanyl-4-methyl-pentanethioate | | Authors: | Zhong, L, Diao, X, Zhang, N, Li, F.W, Zhou, H.B, Chen, H.N, Ren, X, Zhang, Y, Wu, D, Bian, X. | | Deposit date: | 2020-05-05 | | Release date: | 2020-11-25 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (2.586 Å) | | Cite: | Engineering and elucidation of the lipoinitiation process in nonribosomal peptide biosynthesis.
Nat Commun, 12, 2021
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5JHM
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2DRJ
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7C1L
 | | Crystal structure of the starter condensation domain of rhizomide synthetase RzmA mutant R148A in complex with C8-CoA | | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Non-ribosomal peptide synthetase modules, OCTANOYL-COENZYME A | | Authors: | Zhong, L, Diao, X, Zhang, N, Li, F.W, Zhou, H.B, Chen, H.N, Ren, X, Zhang, Y, Wu, D, Bian, X. | | Deposit date: | 2020-05-05 | | Release date: | 2020-11-25 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (1.85 Å) | | Cite: | Engineering and elucidation of the lipoinitiation process in nonribosomal peptide biosynthesis.
Nat Commun, 12, 2021
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7C1U
 | | Crystal structure of the starter condensation domain of rhizomide synthetase RzmA mutant H140V/R148A in a "product-released" conformation | | Descriptor: | Non-ribosomal peptide synthetase modules | | Authors: | Zhong, L, Diao, X, Zhang, N, Li, F.W, Zhou, H.B, Chen, H.N, Ren, X, Zhang, Y, Wu, D, Bian, X. | | Deposit date: | 2020-05-05 | | Release date: | 2020-11-25 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (1.4 Å) | | Cite: | Engineering and elucidation of the lipoinitiation process in nonribosomal peptide biosynthesis.
Nat Commun, 12, 2021
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7C1H
 | | Crystal structure of the starter condensation domain of rhizomide synthetase RzmA | | Descriptor: | Non-ribosomal peptide synthetase modules | | Authors: | Zhong, L, Diao, X, Zhang, N, Li, F.W, Zhou, H.B, Chen, H.N, Ren, X, Zhang, Y, Wu, D, Bian, X. | | Deposit date: | 2020-05-04 | | Release date: | 2020-11-25 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Engineering and elucidation of the lipoinitiation process in nonribosomal peptide biosynthesis.
Nat Commun, 12, 2021
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7C1R
 | | Crystal structure of the starter condensation domain of rhizomide synthetase RzmA mutant H140A/R148A in complex with C8-CoA | | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Non-ribosomal peptide synthetase modules, OCTANOYL-COENZYME A | | Authors: | Zhong, L, Diao, X, Zhang, N, Li, F.W, Zhou, H.B, Chen, H.N, Ren, X, Zhang, Y, Wu, D, Bian, X. | | Deposit date: | 2020-05-05 | | Release date: | 2020-11-25 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (1.698 Å) | | Cite: | Engineering and elucidation of the lipoinitiation process in nonribosomal peptide biosynthesis.
Nat Commun, 12, 2021
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7C1P
 | | Crystal structure of the starter condensation domain of the rhizomide synthetase RzmA mutant H140V, R148A | | Descriptor: | Non-ribosomal peptide synthetase modules | | Authors: | Zhong, L, Diao, X, Zhang, N, Li, F.W, Zhou, H.B, Chen, H.N, Ren, X, Zhang, Y, Wu, D. | | Deposit date: | 2020-05-05 | | Release date: | 2020-11-25 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (2.6 Å) | | Cite: | Engineering and elucidation of the lipoinitiation process in nonribosomal peptide biosynthesis.
Nat Commun, 12, 2021
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2F2H
 | | Structure of the YicI thiosugar Michaelis complex | | Descriptor: | 3[N-MORPHOLINO]PROPANE SULFONIC ACID, 4-NITROPHENYL 6-THIO-6-S-ALPHA-D-XYLOPYRANOSYL-BETA-D-GLUCOPYRANOSIDE, GLYCEROL, ... | | Authors: | Kim, Y.-W, Lovering, A.L, Strynadka, N.C.J, Withers, S.G. | | Deposit date: | 2005-11-16 | | Release date: | 2006-02-28 | | Last modified: | 2023-08-23 | | Method: | X-RAY DIFFRACTION (1.95 Å) | | Cite: | Expanding the Thioglycoligase Strategy to the Synthesis of alpha-linked Thioglycosides Allows Structural Investigation of the Parent Enzyme/Substrate Complex
J.Am.Chem.Soc., 128, 2006
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6N47
 | | The structure of SB-2-204-tubulin complex | | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 4-(2-chloropyrido[3,2-d]pyrimidin-4-yl)-7-methoxy-3,4-dihydroquinoxalin-2(1H)-one, CALCIUM ION, ... | | Authors: | Arnst, K, Banerjee, S, Wang, Y, Li, W, Miller, D, Li, W. | | Deposit date: | 2018-11-17 | | Release date: | 2019-11-13 | | Last modified: | 2024-03-13 | | Method: | X-RAY DIFFRACTION (2.6 Å) | | Cite: | X-ray Crystal Structure Guided Discovery and Antitumor Efficacy of Dihydroquinoxalinone as Potent Tubulin Polymerization Inhibitors.
Acs Chem.Biol., 14, 2019
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7C1K
 | | Crystal structure of the starter condensation domain of rhizomide synthetase RzmA mutant R148A | | Descriptor: | Non-ribosomal peptide synthetase modules | | Authors: | Zhong, L, Diao, X, Zhang, N, Li, F.W, Zhou, H.B, Chen, H.N, Ren, X, Zhang, Y, Wu, D, Bian, X. | | Deposit date: | 2020-05-04 | | Release date: | 2020-11-25 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (2.755 Å) | | Cite: | Engineering and elucidation of the lipoinitiation process in nonribosomal peptide biosynthesis.
Nat Commun, 12, 2021
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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: | 2024-11-20 | | Method: | ELECTRON MICROSCOPY (3.1 Å) | | Cite: | Tracing the substrate translocation mechanism in P-glycoprotein.
Elife, 12, 2024
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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: | 2024-11-06 | | Method: | ELECTRON MICROSCOPY (2.9 Å) | | Cite: | Tracing the substrate translocation mechanism in P-glycoprotein.
Elife, 12, 2024
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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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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: | 2024-11-20 | | Method: | ELECTRON MICROSCOPY (2.6 Å) | | Cite: | Tracing the substrate translocation mechanism in P-glycoprotein.
Elife, 12, 2024
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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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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: | 2024-10-23 | | Method: | ELECTRON MICROSCOPY (4.7 Å) | | Cite: | Tracing the substrate translocation mechanism in P-glycoprotein.
Elife, 12, 2024
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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: | 2024-11-13 | | Method: | ELECTRON MICROSCOPY (3 Å) | | Cite: | Tracing the substrate translocation mechanism in P-glycoprotein.
Elife, 12, 2024
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5JNQ
 | | MraY tunicamycin complex | | Descriptor: | PALMITIC ACID, Phospho-N-acetylmuramoyl-pentapeptide-transferase, Tunicamycin, ... | | Authors: | Johansson, P. | | Deposit date: | 2016-04-30 | | Release date: | 2017-01-11 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (2.6 Å) | | Cite: | MraY-antibiotic complex reveals details of tunicamycin mode of action.
Nat. Chem. Biol., 13, 2017
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4GS6
 | | Irreversible Inhibition of TAK1 Kinase by 5Z-7-Oxozeaenol | | Descriptor: | (3S,5Z,8S,9S,11E)-8,9,16-trihydroxy-14-methoxy-3-methyl-3,4,9,10-tetrahydro-1H-2-benzoxacyclotetradecine-1,7(8H)-dione, 1,2-ETHANEDIOL, Tak1-Tab1 fusion protein | | Authors: | Larsen, N.A, Ferguson, A.D, Wu, J. | | Deposit date: | 2012-08-27 | | Release date: | 2013-01-23 | | Last modified: | 2024-11-06 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Mechanism and In Vitro Pharmacology of TAK1 Inhibition by (5Z)-7-Oxozeaenol.
Acs Chem.Biol., 8, 2013
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8IS4
 | | Structure of an Isocytosine specific deaminase Vcz in complexed with 5-FU | | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 5-FLUOROURACIL, GLYCEROL, ... | | Authors: | Guo, W.T, Li, X.J, Wu, B.X. | | Deposit date: | 2023-03-20 | | Release date: | 2023-08-30 | | Last modified: | 2024-11-20 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Structural characterization of an isocytosine-specific deaminase VCZ reveals its application potential in the anti-cancer therapy.
Iscience, 26, 2023
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8J57
 | | Cryo-EM structure of Mycobacterium tuberculosis ATP synthase Fo in complex with bedaquiline(BDQ) | | Descriptor: | ATP synthase subunit a, ATP synthase subunit c, Bedaquiline | | Authors: | Zhang, Y, Lai, Y, Liu, F, Rao, Z, Gong, H. | | Deposit date: | 2023-04-21 | | Release date: | 2024-05-01 | | Last modified: | 2024-08-21 | | Method: | ELECTRON MICROSCOPY (2.85 Å) | | Cite: | Inhibition of M. tuberculosis and human ATP synthase by BDQ and TBAJ-587.
Nature, 631, 2024
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8J58
 | | Cryo-EM structure of Mycobacterium tuberculosis ATP synthase Fo in the apo-form | | Descriptor: | ATP synthase subunit a, ATP synthase subunit c | | Authors: | Zhang, Y, Lai, Y, Liu, F, Rao, Z, Gong, H. | | Deposit date: | 2023-04-21 | | Release date: | 2024-05-01 | | Last modified: | 2024-08-21 | | Method: | ELECTRON MICROSCOPY (3.15 Å) | | Cite: | Inhibition of M. tuberculosis and human ATP synthase by BDQ and TBAJ-587.
Nature, 631, 2024
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8J0S
 | | Cryo-EM structure of Mycobacterium tuberculosis ATP synthase in complex with bedaquiline(BDQ) | | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, ADENOSINE-5'-TRIPHOSPHATE, ATP synthase epsilon chain, ... | | Authors: | Zhang, Y, Lai, Y, Liu, F, Rao, Z, Gong, H. | | Deposit date: | 2023-04-11 | | Release date: | 2024-05-22 | | Last modified: | 2024-08-21 | | Method: | ELECTRON MICROSCOPY (2.58 Å) | | Cite: | Inhibition of M. tuberculosis and human ATP synthase by BDQ and TBAJ-587.
Nature, 631, 2024
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