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PDB: 672 results

4MC6
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BU of 4mc6 by Molmil
HIV protease in complex with SA499
Descriptor: 1,2-ETHANEDIOL, 1-tert-butyl-3-{(2S,3R)-4-[(4R)-7-fluoro-1,1-dioxido-4-(propan-2-yl)-4,5-dihydro-1,2-benzothiazepin-2(3H)-yl]-3-hydroxy-1-phenylbutan-2-yl}urea, CHLORIDE ION, ...
Authors:Ganguly, A.K, Alluri, S.S, Wang, C, Antropow, A, White, A, Caroccia, D, Biswas, D, Kang, E, Zhang, L, Carroll, S.S, Burlein, C, Munshi, V, Orth, P, Strickland, C.
Deposit date:2013-08-21
Release date:2014-04-02
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.31 Å)
Cite:Structural Optimization of Cyclic Sulfonamide based Novel HIV-1 Protease Inhibitors to Pico Molar Affinities guided by X-ray Crystallographic Analysis
Tetrahedron, 2014
5ERG
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BU of 5erg by Molmil
Crystal structure of the two-subunit tRNA m1A58 methyltransferase TRM6-TRM61 in complex with SAM
Descriptor: S-ADENOSYLMETHIONINE, tRNA (adenine(58)-N(1))-methyltransferase catalytic subunit TRM61, tRNA (adenine(58)-N(1))-methyltransferase non-catalytic subunit TRM6
Authors:Zhu, Y, Wang, M, Wang, C, Fan, X, Jiang, X, Teng, M, Li, X.
Deposit date:2015-11-14
Release date:2016-09-14
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (2.202 Å)
Cite:Crystal structure of the two-subunit tRNA m(1)A58 methyltransferase TRM6-TRM61 from Saccharomyces cerevisiae.
Sci Rep, 6, 2016
1DQP
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BU of 1dqp by Molmil
CRYSTAL STRUCTURE OF GIARDIA GUANINE PHOSPHORIBOSYLTRANSFERASE COMPLEXED WITH IMMUCILLING
Descriptor: 1,4-DIDEOXY-1,4-IMINO-1-(S)-(9-DEAZAGUANIN-9-YL)-D-RIBITOL, GUANINE PHOSPHORIBOSYLTRANSFERASE, ISOPROPYL ALCOHOL
Authors:Shi, W, Munagala, N.R, Wang, C.C, Li, C.M, Tyler, P.C, Furneaux, R.H, Grubmeyer, C, Schramm, V.L, Almo, S.C.
Deposit date:2000-01-04
Release date:2000-07-26
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:Crystal structures of Giardia lamblia guanine phosphoribosyltransferase at 1.75 A(,).
Biochemistry, 39, 2000
6W2D
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BU of 6w2d by Molmil
Structures of Capsid and Capsid-Associated Tegument Complex inside the Epstein-Barr Virus
Descriptor: Capsid vertex component 1, Capsid vertex component 2, Large tegument protein deneddylase, ...
Authors:Liu, W, Cui, Y.X, Wang, C.Y, Li, Z.H, Gong, D.Y, Dai, X.H, Bi, G.Q, Sun, R, Zhou, Z.H.
Deposit date:2020-03-05
Release date:2020-07-15
Last modified:2024-03-06
Method:ELECTRON MICROSCOPY (4 Å)
Cite:Structures of capsid and capsid-associated tegument complex inside the Epstein-Barr virus.
Nat Microbiol, 5, 2020
5YIS
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BU of 5yis by Molmil
Crystal Structure of AnkB LIR/LC3B complex
Descriptor: Ankyrin-2, GLYCEROL, Microtubule-associated proteins 1A/1B light chain 3B, ...
Authors:Li, J, Zhu, R, Chen, K, Zheng, H, Yuan, C, Zhang, H, Wang, C, Zhang, M.
Deposit date:2017-10-06
Release date:2018-05-23
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.201 Å)
Cite:Potent and specific Atg8-targeting autophagy inhibitory peptides from giant ankyrins.
Nat. Chem. Biol., 14, 2018
5YIR
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BU of 5yir by Molmil
Crystal Structure of AnkB LIR/GABARAP complex
Descriptor: Ankyrin-2, Gamma-aminobutyric acid receptor-associated protein, NICKEL (II) ION
Authors:Li, J, Zhu, R, Chen, K, Zheng, H, Yuan, C, Zhang, H, Wang, C, Zhang, M.
Deposit date:2017-10-06
Release date:2018-05-23
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.75 Å)
Cite:Potent and specific Atg8-targeting autophagy inhibitory peptides from giant ankyrins.
Nat. Chem. Biol., 14, 2018
4MC1
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BU of 4mc1 by Molmil
HIV protease in complex with SA526P
Descriptor: (3S)-tetrahydrofuran-3-yl {(2S,3R)-4-[(4S)-4-tert-butyl-7-fluoro-1,1-dioxido-4,5-dihydro-1,2-benzothiazepin-2(3H)-yl]-3-hydroxy-1-phenylbutan-2-yl}carbamate, CHLORIDE ION, Protease
Authors:Ganguly, A.K, Alluri, S.S, Wang, C, Antropow, A, White, A, Caroccia, D, Biswas, D, Kang, E, Zhang, L, Carroll, S.S, Burlein, C, Munshi, V, Orth, P, Strickland, C.
Deposit date:2013-08-21
Release date:2014-04-02
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.39 Å)
Cite:Structural Optimization of Cyclic Sulfonamide based Novel HIV-1 Protease Inhibitors to Pico Molar Affinities guided by X-ray Crystallographic Analysis
Tetrahedron, 2014
1DQN
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BU of 1dqn by Molmil
CRYSTAL STRUCTURE OF GIARDIA GUANINE PHOSPHORIBOSYLTRANSFERASE COMPLEXED WITH A TRANSITION STATE ANALOGUE
Descriptor: GUANINE PHOSPHORIBOSYLTRANSFERASE, ISOPROPYL ALCOHOL, MAGNESIUM ION, ...
Authors:Shi, W, Munagala, N.R, Wang, C.C, Li, C.M, Tyler, P.C, Furneaux, R.H, Grubmeyer, C, Schramm, V.L, Almo, S.C.
Deposit date:2000-01-04
Release date:2000-07-26
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:Crystal structures of Giardia lamblia guanine phosphoribosyltransferase at 1.75 A(,).
Biochemistry, 39, 2000
1RZQ
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BU of 1rzq by Molmil
Crystal Structure of C-Terminal Despentapeptide Nitrite Reductase from Achromobacter Cycloclastes at pH5.0
Descriptor: ACETIC ACID, COPPER (II) ION, Copper-containing nitrite reductase, ...
Authors:Li, H.T, Wang, C, Chang, T, Chang, W.C, Liu, M.Y, Le Gall, J, Gui, L.L, Zhang, J.P, An, X.M, Chang, W.R.
Deposit date:2003-12-26
Release date:2004-03-30
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:pH-profile crystal structure studies of C-terminal despentapeptide nitrite reductase from Achromobacter cycloclastes
Biochem.Biophys.Res.Commun., 316, 2004
1RZP
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BU of 1rzp by Molmil
Crystal Structure of C-Terminal Despentapeptide Nitrite Reductase from Achromobacter Cycloclastes at pH6.2
Descriptor: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, COPPER (II) ION, Copper-containing nitrite reductase, ...
Authors:Li, H.T, Wang, C, Chang, T, Chang, W.C, Liu, M.Y, Le Gall, J, Gui, L.L, Zhang, J.P, An, X.M, Chang, W.R.
Deposit date:2003-12-26
Release date:2004-03-30
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:pH-profile crystal structure studies of C-terminal despentapeptide nitrite reductase from Achromobacter cycloclastes
Biochem.Biophys.Res.Commun., 316, 2004
4MC9
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BU of 4mc9 by Molmil
HIV protease in complex with AA74
Descriptor: (3S)-tetrahydrofuran-3-yl {(2S,3R)-4-[(4R)-7-fluoro-1,1-dioxido-4-(propan-2-yl)-4,5-dihydro-1,2-benzothiazepin-2(3H)-yl]-3-hydroxy-1-phenylbutan-2-yl}carbamate, 1,2-ETHANEDIOL, CHLORIDE ION, ...
Authors:Ganguly, A.K, Alluri, S.S, Wang, C, Antropow, A, White, A, Caroccia, D, Biswas, D, Kang, E, Zhang, L, Carroll, S.S, Burlein, C, Munshi, V, Orth, P, Strickland, C.
Deposit date:2013-08-21
Release date:2014-04-02
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.19 Å)
Cite:Structural Optimization of Cyclic Sulfonamide based Novel HIV-1 Protease Inhibitors to Pico Molar Affinities guided by X-ray Crystallographic Analysis
Tetrahedron, 2014
3TKR
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BU of 3tkr by Molmil
Crystal structure of full-length human peroxiredoxin 4 with T118E mutation
Descriptor: Peroxiredoxin-4
Authors:Wang, X, Wang, L, Wang, X, Sun, F, Wang, C.-C.
Deposit date:2011-08-28
Release date:2011-10-05
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Structural insights into the peroxidase activity and inactivation of human peroxiredoxin 4
Biochem.J., 2011
5Y8C
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BU of 5y8c by Molmil
Crystal Structure Analysis of the BRD4
Descriptor: 1,2-ETHANEDIOL, 5-chloranyl-2-methoxy-N-(6-methoxy-3-methyl-1,2-benzoxazol-5-yl)benzenesulfonamide, Bromodomain-containing protein 4, ...
Authors:Xu, Y, Zhang, Y, Song, M, Wang, C.
Deposit date:2017-08-21
Release date:2018-06-13
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.42 Å)
Cite:Structure-Based Discovery and Optimization of Benzo[ d]isoxazole Derivatives as Potent and Selective BET Inhibitors for Potential Treatment of Castration-Resistant Prostate Cancer (CRPC)
J. Med. Chem., 61, 2018
3TKQ
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BU of 3tkq by Molmil
Crystal structure of full-length human peroxiredoxin 4 with mixed conformation
Descriptor: Peroxiredoxin-4
Authors:Wang, X, Wang, L, Wang, X, Sun, F, Wang, C.-C.
Deposit date:2011-08-28
Release date:2011-10-05
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (2.22 Å)
Cite:Structural insights into the peroxidase activity and inactivation of human peroxiredoxin 4
Biochem.J., 2011
3TKP
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BU of 3tkp by Molmil
Crystal structure of full-length human peroxiredoxin 4 in the reduced form
Descriptor: Peroxiredoxin-4
Authors:Wang, X, Wang, L, Wang, X, Sun, F, Wang, C.-C.
Deposit date:2011-08-28
Release date:2011-10-05
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (2.49 Å)
Cite:Structural insights into the peroxidase activity and inactivation of human peroxiredoxin 4
Biochem.J., 2011
5Z1S
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BU of 5z1s by Molmil
Crystal Structure Analysis of the BRD4(1)
Descriptor: 1,2-ETHANEDIOL, 5-bromo-2-methoxy-N-(6-methoxy-2,2-dimethyl-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-7-yl)benzene-1-sulfonamide, Bromodomain-containing protein 4, ...
Authors:Xu, Y, Zhang, Y, Xiang, Q, Song, M, Wang, C.
Deposit date:2017-12-28
Release date:2019-01-02
Last modified:2024-03-27
Method:X-RAY DIFFRACTION (1.42 Å)
Cite:Y08060: A Selective BET Inhibitor for Treatment of Prostate Cancer.
Acs Med.Chem.Lett., 9, 2018
5Z1R
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BU of 5z1r by Molmil
Crystal Structure Analysis of the BRD4
Descriptor: 1,2-ETHANEDIOL, 5-bromo-N-(2,2-dimethyl-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-7-yl)-2-methoxybenzene-1-sulfonamide, Bromodomain-containing protein 4, ...
Authors:Xu, Y, Zhang, Y, Xiang, Q, Song, M, Wang, C.
Deposit date:2017-12-28
Release date:2019-01-02
Last modified:2024-03-27
Method:X-RAY DIFFRACTION (1.62 Å)
Cite:Y08060: A Selective BET Inhibitor for Treatment of Prostate Cancer.
Acs Med.Chem.Lett., 9, 2018
5BOF
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BU of 5bof by Molmil
Crystal Structure of Staphylococcus aureus Enolase
Descriptor: Enolase, MAGNESIUM ION, SULFATE ION
Authors:Wu, Y.F, Wang, C.L, Wu, M.H, Han, L, Zhang, X, Zang, J.Y.
Deposit date:2015-05-27
Release date:2015-12-09
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.45 Å)
Cite:Octameric structure of Staphylococcus aureus enolase in complex with phosphoenolpyruvate.
Acta Crystallogr.,Sect.D, 71, 2015
5WZJ
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BU of 5wzj by Molmil
Structure of APUM23-GGAUUUGACGG
Descriptor: Pumilio homolog 23, RNA (5'-R(*GP*GP*AP*UP*UP*UP*GP*AP*CP*GP*G)-3')
Authors:Bao, H, Wang, N, Wang, C, Jiang, Y, Wu, J, Shi, Y.
Deposit date:2017-01-18
Release date:2017-09-27
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.101 Å)
Cite:Structural basis for the specific recognition of 18S rRNA by APUM23.
Nucleic Acids Res., 45, 2017
7V1U
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BU of 7v1u by Molmil
Crystal Structure of the first bromodomain of human BRD4 in complex with the inhibitor ZJ12
Descriptor: 1,2-ETHANEDIOL, Bromodomain-containing protein 4, ~{N}-(3-ethyl-6-methoxy-1,2-benzoxazol-5-yl)-2-methoxy-benzenesulfonamide
Authors:Zhang, M, Wang, C, Zhang, C, Zhang, Y, Xu, Y.
Deposit date:2021-08-06
Release date:2022-08-10
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.82 Å)
Cite:Design, synthesis and pharmacological characterization of N-(3-ethylbenzo[d]isoxazol-5-yl) sulfonamide derivatives as BRD4 inhibitors against acute myeloid leukemia.
Acta Pharmacol.Sin., 43, 2022
7V2J
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BU of 7v2j by Molmil
Crystal Structure of the first bromodomain of human BRD4 in complex with the inhibitor 33
Descriptor: Bromodomain-containing protein 4, ~{N}-(3-ethyl-6-methoxy-1,2-benzoxazol-5-yl)-4-methoxy-benzenesulfonamide
Authors:Zhang, M, Wang, C, Zhang, C, Zhang, Y, Xu, Y.
Deposit date:2021-08-09
Release date:2022-08-17
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.24 Å)
Cite:Design, synthesis and pharmacological characterization of N-(3-ethylbenzo[d]isoxazol-5-yl) sulfonamide derivatives as BRD4 inhibitors against acute myeloid leukemia.
Acta Pharmacol.Sin., 43, 2022
5WZK
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BU of 5wzk by Molmil
Structure of APUM23-deletion-of-insert-region-GGAAUUGACGG
Descriptor: Pumilio homolog 23, RNA (5'-R(*GP*GP*AP*AP*UP*UP*GP*AP*CP*GP*G)-3')
Authors:Bao, H, Wang, N, Wang, C, Jiang, Y, Wu, J, Shi, Y.
Deposit date:2017-01-18
Release date:2017-09-27
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Structural basis for the specific recognition of 18S rRNA by APUM23.
Nucleic Acids Res., 45, 2017
7RIJ
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BU of 7rij by Molmil
[I11G]hyen D
Descriptor: ACETATE ION, Cyclotide hyen-D, D-[I11L]hyen D
Authors:Du, Q, Huang, Y.H, Wang, C.K, Craik, D.J.
Deposit date:2021-07-20
Release date:2021-09-22
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (1.3 Å)
Cite:Enabling efficient folding and high-resolution crystallographic analysis of bracelet cyclotides
Molecules, 26(18), 2021
7RII
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BU of 7rii by Molmil
[I11L]hyen D crystal structure
Descriptor: Cyclotide hyen-D, PHOSPHATE ION
Authors:Du, Q, Huang, Y.H, Craik, D.J, Wang, C.K.
Deposit date:2021-07-20
Release date:2021-09-29
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.22 Å)
Cite:Enabling efficient folding and high-resolution crystallographic analysis of bracelet cyclotides
Molecules, 26(18), 2021
8K69
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BU of 8k69 by Molmil
Cryo-EM structure of Oryza sativa HKT2;2/1 at 2.3 angstrom
Descriptor: 1,2-DIACYL-SN-GLYCERO-3-PHOSPHOCHOLINE, CHOLESTEROL, CHOLESTEROL HEMISUCCINATE, ...
Authors:Wang, X, Shen, X, Qu, Y, Wang, C, Shen, H.
Deposit date:2023-07-25
Release date:2024-04-03
Last modified:2024-05-08
Method:ELECTRON MICROSCOPY (2.33 Å)
Cite:Structural insights into ion selectivity and transport mechanisms of Oryza sativa HKT2;1 and HKT2;2/1 transporters.
Nat.Plants, 10, 2024

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