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7Y4G
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BU of 7y4g by Molmil
sit-bound btDPP4
Descriptor: (2R)-4-OXO-4-[3-(TRIFLUOROMETHYL)-5,6-DIHYDRO[1,2,4]TRIAZOLO[4,3-A]PYRAZIN-7(8H)-YL]-1-(2,4,5-TRIFLUOROPHENYL)BUTAN-2-A MINE, btDPP4
Authors:Hang, J, Jiang, C, Wang, K, Zhang, Z, Guo, F, Liu, J, Wang, G, Lei, X, Gonzalez, F, Qiao, J.
Deposit date:2022-06-14
Release date:2023-06-14
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (1.97 Å)
Cite:Microbial-host-isozyme analyses reveal microbial DPP4 as a potential antidiabetic target.
Science, 381, 2023
8J58
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BU of 8j58 by Molmil
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
8J57
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BU of 8j57 by Molmil
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
8J0T
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BU of 8j0t by Molmil
Cryo-EM structure of Mycobacterium tuberculosis ATP synthase in the apo-form
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 (2.8 Å)
Cite:Inhibition of M. tuberculosis and human ATP synthase by BDQ and TBAJ-587.
Nature, 631, 2024
8J0S
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BU of 8j0s by Molmil
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
8JR1
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BU of 8jr1 by Molmil
Cryo-EM structure of Mycobacterium tuberculosis ATP synthase Fo in complex with TBAJ-587
Descriptor: (1~{S},2~{S})-1-(6-bromanyl-2-methoxy-quinolin-3-yl)-2-(2,6-dimethoxypyridin-4-yl)-4-(dimethylamino)-1-(2-fluoranyl-3-methoxy-phenyl)butan-2-ol, ATP synthase subunit a, ATP synthase subunit c
Authors:Zhang, Y, Lai, Y, Liu, F, Rao, Z, Gong, H.
Deposit date:2023-06-15
Release date:2024-05-01
Last modified:2024-08-21
Method:ELECTRON MICROSCOPY (3.17 Å)
Cite:Inhibition of M. tuberculosis and human ATP synthase by BDQ and TBAJ-587.
Nature, 631, 2024
8KHF
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BU of 8khf by Molmil
Structure of the human ATP synthase bound to bedaquiline (membrane domain)
Descriptor: ATP synthase F(0) complex subunit B1, mitochondrial, ATP synthase F(0) complex subunit C1, ...
Authors:Lai, Y, Zhang, Y.
Deposit date:2023-08-21
Release date:2024-05-01
Last modified:2024-08-21
Method:ELECTRON MICROSCOPY (3.13 Å)
Cite:Inhibition of M. tuberculosis and human ATP synthase by BDQ and TBAJ-587.
Nature, 631, 2024
8JR0
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BU of 8jr0 by Molmil
Cryo-EM structure of Mycobacterium tuberculosis ATP synthase in complex with TBAJ-587
Descriptor: (1~{S},2~{S})-1-(6-bromanyl-2-methoxy-quinolin-3-yl)-2-(2,6-dimethoxypyridin-4-yl)-4-(dimethylamino)-1-(2-fluoranyl-3-methoxy-phenyl)butan-2-ol, ADENOSINE-5'-DIPHOSPHATE, ADENOSINE-5'-TRIPHOSPHATE, ...
Authors:Zhang, Y, Lai, Y, Liu, F, Rao, Z, Gong, H.
Deposit date:2023-06-15
Release date:2024-05-01
Last modified:2024-08-21
Method:ELECTRON MICROSCOPY (2.8 Å)
Cite:Inhibition of M. tuberculosis and human ATP synthase by BDQ and TBAJ-587.
Nature, 631, 2024
8KI3
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BU of 8ki3 by Molmil
Structure of the human ATP synthase bound to bedaquiline (composite)
Descriptor: ADENOSINE-5'-DIPHOSPHATE, ADENOSINE-5'-TRIPHOSPHATE, ATP synthase F(0) complex subunit B1, ...
Authors:Lai, Y, Zhang, Y, Gong, H.
Deposit date:2023-08-22
Release date:2024-05-01
Last modified:2024-08-21
Method:ELECTRON MICROSCOPY (2.89 Å)
Cite:Inhibition of M. tuberculosis and human ATP synthase by BDQ and TBAJ-587.
Nature, 631, 2024
5X7J
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BU of 5x7j by Molmil
Crystal structure of thymidylate kinase from thermus thermophilus HB8
Descriptor: 1,2-ETHANEDIOL, CALCIUM ION, CHLORIDE ION, ...
Authors:Chaudhary, S.K, Jeyakanthan, J, Sekar, K.
Deposit date:2017-02-27
Release date:2018-03-07
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.84 Å)
Cite:Insights into product release dynamics through structural analyses of thymidylate kinase.
Int. J. Biol. Macromol., 123, 2019
5ZB4
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BU of 5zb4 by Molmil
Crystal structure of thymidylate kinase in complex with ADP and TMP from thermus thermophilus HB8
Descriptor: ADENOSINE-5'-DIPHOSPHATE, CALCIUM ION, CHLORIDE ION, ...
Authors:Chaudhary, S.K, Jeyakanthan, J, Sekar, K.
Deposit date:2018-02-09
Release date:2018-12-19
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.92 Å)
Cite:Insights into product release dynamics through structural analyses of thymidylate kinase.
Int. J. Biol. Macromol., 123, 2018
5ZAX
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BU of 5zax by Molmil
Crystal structure of thymidylate kinase in complex with ADP, TDP and TMP from thermus thermophilus HB8
Descriptor: ADENOSINE-5'-DIPHOSPHATE, CHLORIDE ION, MAGNESIUM ION, ...
Authors:Chaudhary, S.K, Jeyakanthan, J, Sekar, K.
Deposit date:2018-02-09
Release date:2018-12-19
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.36 Å)
Cite:Insights into product release dynamics through structural analyses of thymidylate kinase.
Int. J. Biol. Macromol., 123, 2018
5ZB0
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BU of 5zb0 by Molmil
Crystal structure of thymidylate kinase in complex with ADP and TDP from thermus thermophilus HB8
Descriptor: ADENOSINE-5'-DIPHOSPHATE, CHLORIDE ION, MAGNESIUM ION, ...
Authors:Chaudhary, S.K, Jeyakanthan, J, Sekar, K.
Deposit date:2018-02-09
Release date:2018-12-19
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.19 Å)
Cite:Insights into product release dynamics through structural analyses of thymidylate kinase.
Int. J. Biol. Macromol., 123, 2018
3KDH
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BU of 3kdh by Molmil
Structure of ligand-free PYL2
Descriptor: Putative uncharacterized protein At2g26040
Authors:Yin, P, Fan, H, Hao, Q, Yuan, X, Yan, N.
Deposit date:2009-10-22
Release date:2009-11-10
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (1.653 Å)
Cite:Structural insights into the mechanism of abscisic acid signaling by PYL proteins
Nat.Struct.Mol.Biol., 16, 2009
3KDJ
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BU of 3kdj by Molmil
Complex structure of (+)-ABA-bound PYL1 and ABI1
Descriptor: (2Z,4E)-5-[(1S)-1-hydroxy-2,6,6-trimethyl-4-oxocyclohex-2-en-1-yl]-3-methylpenta-2,4-dienoic acid, MANGANESE (II) ION, Protein phosphatase 2C 56, ...
Authors:Yin, P, Fan, H, Hao, Q, Yuan, X, Yan, N.
Deposit date:2009-10-23
Release date:2009-11-10
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (1.878 Å)
Cite:Structural insights into the mechanism of abscisic acid signaling by PYL proteins
Nat.Struct.Mol.Biol., 16, 2009
3KDI
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BU of 3kdi by Molmil
Structure of (+)-ABA bound PYL2
Descriptor: (2Z,4E)-5-[(1S)-1-hydroxy-2,6,6-trimethyl-4-oxocyclohex-2-en-1-yl]-3-methylpenta-2,4-dienoic acid, Putative uncharacterized protein At2g26040
Authors:Yin, P, Fan, H, Hao, Q, Yuan, X, Yan, N.
Deposit date:2009-10-22
Release date:2009-11-10
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (2.379 Å)
Cite:Structural insights into the mechanism of abscisic acid signaling by PYL proteins
Nat.Struct.Mol.Biol., 16, 2009
4M9Y
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BU of 4m9y by Molmil
Crystal structure of CED-4 bound CED-3 fragment
Descriptor: ADENOSINE-5'-TRIPHOSPHATE, CED-3 fragment, Cell death protein 4, ...
Authors:Huang, W.J, Jinag, T.Y, Choi, W.Y, Wang, J.W, Shi, Y.G.
Deposit date:2013-08-15
Release date:2013-10-23
Last modified:2023-12-06
Method:X-RAY DIFFRACTION (4.2 Å)
Cite:Mechanistic insights into CED-4-mediated activation of CED-3.
Genes Dev., 27, 2013
1K9T
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BU of 1k9t by Molmil
Chitinase a complexed with tetra-N-acetylchitotriose
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CHITINASE A
Authors:Prag, G, Tucker, P.A, Oppenheim, A.B.
Deposit date:2001-10-30
Release date:2002-11-06
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Complex Structures of Chitinase A Mutant with Oligonag Provide Insight Into the Enzymatic Mechanism
To be Published
5XVA
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BU of 5xva by Molmil
Crystal Structure of PAK4 in complex with inhibitor CZH216
Descriptor: ETHANOL, Serine/threonine-protein kinase PAK 4, [6-chloranyl-4-[(5-methyl-1H-pyrazol-3-yl)amino]quinazolin-2-yl]-[(3R)-3-methylpiperazin-1-yl]methanone
Authors:Zhao, F, Li, H.
Deposit date:2017-06-27
Release date:2018-02-07
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.847 Å)
Cite:Structure-Based Design of 6-Chloro-4-aminoquinazoline-2-carboxamide Derivatives as Potent and Selective p21-Activated Kinase 4 (PAK4) Inhibitors.
J. Med. Chem., 61, 2018
5XVG
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BU of 5xvg by Molmil
Crystal Structure of PAK4 in complex with inhibitor CZH226
Descriptor: 1,2-ETHANEDIOL, ETHANOL, Serine/threonine-protein kinase PAK 4, ...
Authors:Zhao, F, Li, H.
Deposit date:2017-06-27
Release date:2018-02-07
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Structure-Based Design of 6-Chloro-4-aminoquinazoline-2-carboxamide Derivatives as Potent and Selective p21-Activated Kinase 4 (PAK4) Inhibitors.
J. Med. Chem., 61, 2018
8HAY
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BU of 8hay by Molmil
d4-bound btDPP4
Descriptor: (1~{R})-1-[[4-[5-[[(1~{R})-6,7-dimethoxy-2-methyl-3,4-dihydro-1~{H}-isoquinolin-1-yl]methyl]-2-methoxy-phenoxy]phenyl]methyl]-6,7-dimethoxy-2-methyl-3,4-dihydro-1~{H}-isoquinoline, btDPP4
Authors:Hang, J, Jiang, C, Wang, K, Zhang, Z, Guo, F, Liu, J, Wang, G, Lei, X, Gonzalez, F, Qiao, J.
Deposit date:2022-10-27
Release date:2023-07-26
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2.74 Å)
Cite:Microbial-host-isozyme analyses reveal microbial DPP4 as a potential antidiabetic target.
Science, 381, 2023
5XVF
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BU of 5xvf by Molmil
Crystal Structure of PAK4 in complex with inhibitor CZH062
Descriptor: 2-(4-azanylpiperidin-1-yl)-6-chloranyl-N-(1-methylimidazol-4-yl)quinazolin-4-amine, Serine/threonine-protein kinase PAK 4
Authors:Zhao, F, Li, H.
Deposit date:2017-06-27
Release date:2018-02-07
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.655 Å)
Cite:Structure-Based Design of 6-Chloro-4-aminoquinazoline-2-carboxamide Derivatives as Potent and Selective p21-Activated Kinase 4 (PAK4) Inhibitors.
J. Med. Chem., 61, 2018
4M9R
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BU of 4m9r by Molmil
Crystal structure of CED-3
Descriptor: Cell death protein 3
Authors:Xu, Y, Jeffrey, P.D, Shi, Y.G.
Deposit date:2013-08-15
Release date:2013-10-09
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.656 Å)
Cite:Mechanistic insights into CED-4-mediated activation of CED-3
Genes Dev., 27, 2013
1NKD
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BU of 1nkd by Molmil
ATOMIC RESOLUTION (1.07 ANGSTROMS) STRUCTURE OF THE ROP MUTANT <2AA>
Descriptor: ROP
Authors:Vlassi, M, Kokkinidis, M.
Deposit date:1997-09-23
Release date:1999-03-23
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (1.09 Å)
Cite:Structural parameters for proteins derived from the atomic resolution (1.09 A) structure of a designed variant of the ColE1 ROP protein.
Acta Crystallogr.,Sect.D, 54, 1998
1RPO
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BU of 1rpo by Molmil
RESTORED HEPTAD PATTERN CONTINUITY DOES NOT ALTER THE FOLDING OF A 4-ALPHA-HELICAL BUNDLE
Descriptor: ROP PROTEIN
Authors:Vlassi, M, Kokkinidis, M.
Deposit date:1994-08-25
Release date:1995-02-14
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (1.4 Å)
Cite:Restored heptad pattern continuity does not alter the folding of a four-alpha-helix bundle.
Nat.Struct.Biol., 1, 1994

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