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7MA1
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BU of 7ma1 by Molmil
HIV-1 Protease (I84V) in Complex with GRL-98065
Descriptor: (3R,3AS,6AR)-HEXAHYDROFURO[2,3-B]FURAN-3-YL(2S,3R)-3-HYDROXY-4-(N-ISOBUTYLBENZO[D][1,3]DIOXOLE-5-SULFONAMIDO)-1-PHENYLBUTAN-2-YLCARBAMATE, Protease, SULFATE ION
Authors:Lockbaum, G.J, Schiffer, C.A.
Deposit date:2021-03-31
Release date:2022-04-27
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.848 Å)
Cite:HIV-1 Protease (I84V) in Complex with GRL-98065
To Be Published
8VCB
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BU of 8vcb by Molmil
Crystal structure of a Bacteroides fragilis S41 protease
Descriptor: Q5LIA5
Authors:Fellner, M, Bogyo, M, Lakemeyer, M.
Deposit date:2023-12-13
Release date:2024-12-18
Method:X-RAY DIFFRACTION (1.96 Å)
Cite:Crystal structure of a Bacteroides fragilis S41 protease
To Be Published
5VJM
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BU of 5vjm by Molmil
Crystal structure of H7 hemagglutinin mutant (V186K, K193T, G228S) from the influenza virus A/Shanghai/2/2013 (H7N9) with LSTa
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Hemagglutinin HA1, Hemagglutinin HA2, ...
Authors:Zhu, X, Wilson, I.A.
Deposit date:2017-04-19
Release date:2017-05-24
Last modified:2024-10-23
Method:X-RAY DIFFRACTION (2.909 Å)
Cite:Three mutations switch H7N9 influenza to human-type receptor specificity.
PLoS Pathog., 13, 2017
5VQJ
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BU of 5vqj by Molmil
Discovery of a first GH11 exo-1,4-beta-xylanase from a diverse microbial sugar cane bagasse composting community
Descriptor: exo-beta-1,4-xylanase
Authors:Mello, B.L, Polikarpov, I.
Deposit date:2017-05-09
Release date:2018-03-21
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.761 Å)
Cite:Targeted metatranscriptomics of compost-derived consortia reveals a GH11 exerting an unusual exo-1,4-beta-xylanase activity.
Biotechnol Biofuels, 10, 2017
7MA0
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BU of 7ma0 by Molmil
HIV-1 Protease (I84V) in Complex with LR2-91
Descriptor: (3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-yl {(2S,3R)-3-hydroxy-4-[{[4-(hydroxymethyl)phenyl]sulfonyl}(2-methylpropyl)amino]-1-phenylbutan-2-yl}carbamate, Protease, SULFATE ION
Authors:Lockbaum, G.J, Schiffer, C.A.
Deposit date:2021-03-31
Release date:2022-04-27
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.92 Å)
Cite:HIV-1 Protease (I84V) in Complex with LR2-91
To Be Published
8VXL
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BU of 8vxl by Molmil
Crystal Structure of the External Aldimine Complex of Pyridoxal-5'-Tetrazole and (S)-4-amino-5-phenoxypentanoate with the Bacillus subtilis GabR C-terminal Effector-binding and Oligomerization Domain
Descriptor: (4S)-4-[(E)-({3-hydroxy-2-methyl-5-[(E)-2-(1H-tetrazol-5-yl)ethenyl]pyridin-4-yl}methylidene)amino]-5-phenoxypentanoic acid, GLYCEROL, HTH-type transcriptional regulatory protein GabR, ...
Authors:Kaley, N.E, Liveris, Z.J, Becker, D.P, Liu, D.
Deposit date:2024-02-05
Release date:2025-01-08
Method:X-RAY DIFFRACTION (2.24 Å)
Cite:Bioisosteric replacement of pyridoxal-5'-phosphate to pyridoxal-5'-tetrazole targeting Bacillus subtilis GabR.
Protein Sci., 34, 2025
5I6W
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BU of 5i6w by Molmil
Crystal structure of Staphylococcal nuclease variant Delta+PHS A58D at cryogenic temperature
Descriptor: CALCIUM ION, THYMIDINE-3',5'-DIPHOSPHATE, Thermonuclease
Authors:Skerritt, L.A, Schlessman, J.L, Garcia-Moreno E, B.
Deposit date:2016-02-16
Release date:2016-02-24
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Crystal structure of Staphylococcal nuclease variant Delta+PHS A58D at cryogenic temperature
To be Published
5VQR
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BU of 5vqr by Molmil
Crystal Structure of HIV-1 Reverse Transcriptase in Complex with N-(6-cyano-3-(2-(2-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)ethoxy)phenoxy)-4-methylnaphthalen-1-yl)-N-methylacrylamide (JLJ684), a Non-nucleoside Inhibitor
Descriptor: N-(6-cyano-3-{2-[2-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)ethoxy]phenoxy}-4-methylnaphthalen-1-yl)-N-methylprop-2-enamide, Reverse transcriptase/ribonuclease H, SULFATE ION, ...
Authors:Chan, A.H, Anderson, K.S.
Deposit date:2017-05-09
Release date:2017-08-23
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.55 Å)
Cite:Covalent inhibitors for eradication of drug-resistant HIV-1 reverse transcriptase: From design to protein crystallography.
Proc. Natl. Acad. Sci. U.S.A., 114, 2017
7MA2
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BU of 7ma2 by Molmil
HIV-1 Protease (I84V) in Complex with a Darunavir Derivative
Descriptor: (3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-yl [(2S,3R)-4-{[(1,3-benzothiazol-6-yl)sulfonyl](2-methylpropyl)amino}-3-hydroxy-1-phenylbutan-2-yl]carbamate, Protease, SULFATE ION
Authors:Lockbaum, G.J, Schiffer, C.A.
Deposit date:2021-03-31
Release date:2022-04-27
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.869 Å)
Cite:HIV-1 Protease (I84V) in Complex with a Darunavir Derivative
To Be Published
8VSQ
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BU of 8vsq by Molmil
Crystal structure of Esub1
Descriptor: Esub1, SULFATE ION
Authors:Muna, T.H, Prehna, G.
Deposit date:2024-01-24
Release date:2025-01-08
Last modified:2025-01-29
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:The phage protein paratox is a multifunctional metabolic regulator of Streptococcus.
Nucleic Acids Res., 53, 2025
5I72
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BU of 5i72 by Molmil
Crystal structure of the oligomeric form of the Lassa virus matrix protein Z
Descriptor: RING finger protein Z, ZINC ION
Authors:Hastie, K, Zandonatti, M, Liu, T, Li, S, Woods Jr, V, Saphire, E.O.
Deposit date:2016-02-16
Release date:2016-03-09
Last modified:2024-05-22
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:Crystal Structure of the Oligomeric Form of Lassa Virus Matrix Protein Z.
J.Virol., 90, 2016
5ID6
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BU of 5id6 by Molmil
Structure of Cpf1/RNA Complex
Descriptor: Cpf1, MAGNESIUM ION, RNA (5'-R(P*AP*AP*UP*UP*UP*CP*UP*AP*CP*UP*AP*AP*GP*UP*GP*UP*AP*GP*AP*UP*C)-3')
Authors:Dong, D, Ren, K, Qiu, X, Wang, J, Huang, Z.
Deposit date:2016-02-24
Release date:2016-04-27
Last modified:2024-10-23
Method:X-RAY DIFFRACTION (2.382 Å)
Cite:The crystal structure of Cpf1 in complex with CRISPR RNA
Nature, 532, 2016
8VXK
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BU of 8vxk by Molmil
Crystal Structure of the Apo Bacillus subtilis GabR C-terminal Effector-binding and Oligomerization Domain
Descriptor: HTH-type transcriptional regulatory protein GabR, PHOSPHATE ION
Authors:Kaley, N.E, Liu, D.
Deposit date:2024-02-05
Release date:2025-01-08
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Bioisosteric replacement of pyridoxal-5'-phosphate to pyridoxal-5'-tetrazole targeting Bacillus subtilis GabR.
Protein Sci., 34, 2025
6VKO
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BU of 6vko by Molmil
Crystal Structure of human PARP-1 CAT domain bound to inhibitor UKTT15
Descriptor: Poly [ADP-ribose] polymerase 1, SULFATE ION, methyl 2-{4-[4-(7-carbamoyl-1H-benzimidazol-2-yl)benzene-1-carbonyl]piperazin-1-yl}pyrimidine-5-carboxylate
Authors:Langelier, M.F, Pascal, J.M.
Deposit date:2020-01-21
Release date:2020-06-17
Last modified:2024-11-13
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Structural basis for allosteric PARP-1 retention on DNA breaks.
Science, 368, 2020
5VQZ
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BU of 5vqz by Molmil
Crystal Structure of HIV-1 Reverse Transcriptase (K103N, Y181C) Variant in Complex with 2-chloro-N-(6-cyano-3-(2-(2-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)ethoxy)phenoxy)-4-methylnaphthalen-1-yl)-N-methylacetamide (JLJ686), a Non-nucleoside Inhibitor
Descriptor: N-(6-cyano-3-{2-[2-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)ethoxy]phenoxy}-4-methylnaphthalen-1-yl)-N-methylacetamide, Reverse transcriptase/ribonuclease H, SULFATE ION, ...
Authors:Buckingham, A.B, Chan, A.H, Anderson, K.S.
Deposit date:2017-05-09
Release date:2017-08-23
Last modified:2024-10-30
Method:X-RAY DIFFRACTION (2.23 Å)
Cite:Covalent inhibitors for eradication of drug-resistant HIV-1 reverse transcriptase: From design to protein crystallography.
Proc. Natl. Acad. Sci. U.S.A., 114, 2017
7M1S
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BU of 7m1s by Molmil
Crystal structure of human guanylate-binding protein 2 (hGBP2) K51A mutant
Descriptor: Guanylate-binding protein 2, PHOSPHATE ION
Authors:Roy, S, Wang, B, Tian, Y, Yin, Q.
Deposit date:2021-03-15
Release date:2022-04-27
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.91 Å)
Cite:Crystal structure of human guanylate-binding protein 2 (hGBP2) K51A mutant
To Be Published
5IDO
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BU of 5ido by Molmil
RNA Editing TUTase 1 from Trypanosoma brucei in complex with UTP
Descriptor: 3' terminal uridylyl transferase, MAGNESIUM ION, URIDINE 5'-TRIPHOSPHATE, ...
Authors:Thore, S, Rajappa, L.T.
Deposit date:2016-02-24
Release date:2016-10-26
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:RNA Editing TUTase 1: structural foundation of substrate recognition, complex interactions and drug targeting.
Nucleic Acids Res., 44, 2016
7MAF
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BU of 7maf by Molmil
HIV-1 Protease (I84V) in Complex with PU2 (LR2-79)
Descriptor: Protease, SULFATE ION, diethyl ({4-[(2S,3R)-2-[({[(3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-yl]oxy}carbonyl)amino]-3-hydroxy-4-{[(4-methoxyphenyl)sulfonyl][(2S)-2-methylbutyl]amino}butyl]phenoxy}methyl)phosphonate
Authors:Lockbaum, G.J, Schiffer, C.A.
Deposit date:2021-03-31
Release date:2022-04-27
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.902 Å)
Cite:HIV-1 Protease (I84V) in Complex with PU2 (LR2-79)
To Be Published
7M9G
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BU of 7m9g by Molmil
HIV-1 Protease (I84V) in Complex with LR2-18
Descriptor: (3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-yl {(2S,3R)-4-[({4-[(1R)-1,2-dihydroxyethyl]phenyl}sulfonyl)(2-methylpropyl)amino]-3-hydroxy-1-phenylbutan-2-yl}carbamate, Protease, SULFATE ION
Authors:Lockbaum, G.J, Schiffer, C.A.
Deposit date:2021-03-31
Release date:2022-04-27
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.87 Å)
Cite:HIV-1 Protease (I84V) in Complex with LR2-18
To Be Published
5IDT
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BU of 5idt by Molmil
Crystal Structure of a Glucose-1-phosphate Thymidylyltransferase from Burkholderia vietnamiensis with bound Thymidine
Descriptor: 1,2-ETHANEDIOL, Glucose-1-phosphate thymidylyltransferase, THYMIDINE
Authors:Seattle Structural Genomics Center for Infectious Disease (SSGCID)
Deposit date:2016-02-24
Release date:2016-03-09
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.35 Å)
Cite:Crystal Structure of a Glucose-1-phosphate Thymidylyltransferase from Burkholderia vietnamiensis with bound Thymidine
to be published
6VLU
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BU of 6vlu by Molmil
Factor XIa in complex with compound 7
Descriptor: CITRIC ACID, Coagulation factor XIa light chain, N-cyclohexyl-D-leucyl-N-[(1-aminoisoquinolin-6-yl)methyl]-4,4-difluoro-L-prolinamide
Authors:Lesburg, C.A, Fradera, X.
Deposit date:2020-01-27
Release date:2020-05-06
Last modified:2024-11-20
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Augmenting Hit Identification by Virtual Screening Techniques in Small Molecule Drug Discovery.
J.Chem.Inf.Model., 60, 2020
8VFS
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BU of 8vfs by Molmil
oppF ROSE-like RNA thermometer structure
Descriptor: RNA (27-MER)
Authors:Shaffer, S.N, Passalacqua, L.F.M, Abdelsayed, M.M, Ferre-D'Amare, A.R.
Deposit date:2023-12-21
Release date:2024-12-25
Last modified:2025-01-22
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:RNA thermometers are widespread upstream of ABC transporter genes in bacteria.
J.Biol.Chem., 300, 2024
8VG6
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BU of 8vg6 by Molmil
Structure of Tulane virus
Descriptor: Capsid protein
Authors:Yu, G, Li, K, Jiang, W.
Deposit date:2023-12-22
Release date:2024-12-25
Last modified:2025-05-14
Method:ELECTRON MICROSCOPY (2.6 Å)
Cite:Structure of Tulane virus
To Be Published
7M9H
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BU of 7m9h by Molmil
HIV-1 Protease (I84V) in Complex with LR2-20
Descriptor: (3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-yl [(2S,3R)-4-{({4-[(1R)-1,2-dihydroxyethyl]phenyl}sulfonyl)[(2S)-2-methylbutyl]amino}-3-hydroxy-1-phenylbutan-2-yl]carbamate, Protease, SULFATE ION
Authors:Lockbaum, G.J, Schiffer, C.A.
Deposit date:2021-03-31
Release date:2022-04-27
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.891 Å)
Cite:HIV-1 Protease (I84V) in Complex with LR2-20
To Be Published
5IE6
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BU of 5ie6 by Molmil
Crystal structure of a lactonase mutant in complex with substrate b
Descriptor: (3S,7S,11E)-7,14,16-trihydroxy-3-methyl-3,4,5,6,7,8,9,10-octahydro-1H-2-benzoxacyclotetradecin-1-one, Zearalenone hydrolase
Authors:Zheng, Y.Y, Xu, Z.X, Liu, W.D, Chen, C.C, Guo, R.T.
Deposit date:2016-02-25
Release date:2017-01-04
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.67 Å)
Cite:Enhanced alph-Zearalenol Hydrolyzing Activity of a Mycoestrogen-Detoxifying Lactonase by Structure-Based Engineering
Acs Catalysis, 6, 2016

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数据于2025-10-22公开中

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