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7MA5
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BU of 7ma5 by Molmil
HIV-1 Protease (I84V) in Complex with UMass4
Descriptor: (3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-yl [(1S,2R)-3-{(1,3-benzodioxol-5-ylsulfonyl)[(2S)-2-methylbutyl]amino}-1-benzyl-2-hydroxypropyl]carbamate, Protease, SULFATE ION
Authors:Lockbaum, G.J, Schiffer, C.A.
Deposit date:2021-03-31
Release date:2022-11-09
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.977 Å)
Cite:HIV-1 Protease (I84V) in Complex with UMass4
To Be Published
7MA3
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BU of 7ma3 by Molmil
HIV-1 Protease (I84V) in Complex with UMass2
Descriptor: (3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-yl [(1S,2R)-1-benzyl-2-hydroxy-3-{[(4-methoxyphenyl)sulfonyl][(2S)-2-methylbutyl]amino}propyl]carbamate, Protease, SULFATE ION
Authors:Lockbaum, G.J, Schiffer, C.A.
Deposit date:2021-03-31
Release date:2022-11-09
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.969 Å)
Cite:HIV-1 Protease (I84V) in Complex with UMass2
To Be Published
8VRL
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BU of 8vrl by Molmil
Structure of Mycobacterium smegmatis 50S ribosomal subunit bound to HflX and chloramphenicol:50S-HflX-A-Clm
Descriptor: 23S ribosomal RNA, 50S Ribosomal Protein L27, 50S Ribosomal Protein L31, ...
Authors:Majumdar, S, Koripella, R.K, Sharma, M.R, Manjari, S.R, Banavali, N.K, Agrawal, R.K.
Deposit date:2024-01-22
Release date:2025-02-19
Last modified:2025-04-30
Method:ELECTRON MICROSCOPY (3.33 Å)
Cite:HflX-mediated drug resistance through ribosome splitting and rRNA disordering in mycobacteria.
Proc.Natl.Acad.Sci.USA, 122, 2025
8VTF
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BU of 8vtf by Molmil
A structural study of selectivity mechanisms for JNK3 and p38 alpha with indazole scaffold probing compounds
Descriptor: (4P)-4-[6-fluoro-5-(2-methoxyanilino)-1H-indazol-1-yl]-N-(oxetan-3-yl)thiophene-2-carboxamide, Mitogen-activated protein kinase 10
Authors:Park, H, Feng, Y.
Deposit date:2024-01-26
Release date:2025-01-29
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:A structural study of selectivity mechanisms for JNK3 and p38 alpha with indazole scaffold probing compounds
To Be Published
6VJ5
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BU of 6vj5 by Molmil
Structure of PE25-PPE41(A124L) in complex with EspG5 chaperone from the type VII (ESX-5) secretion system
Descriptor: CHLORIDE ION, ESX-5 secretion-associated protein EspG5, PE-PGRS family protein PE25, ...
Authors:Williamson, Z.A, Korotkov, K.V.
Deposit date:2020-01-14
Release date:2021-01-27
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Molecular basis of diverse substrate recognition by EspG5 chaperone from mycobacterial ESX-5 Type VII Secretion System.
To Be Published
5IBQ
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BU of 5ibq by Molmil
Crystal structure of an ABC solute binding protein from Rhizobium etli CFN 42 (RHE_PF00037,TARGET EFI-511357) in complex with alpha-D-apiose
Descriptor: 3-C-(hydroxylmethyl)-alpha-D-erythrofuranose, CALCIUM ION, Probable ribose ABC transporter, ...
Authors:Vetting, M.W, Carter, M.S, Al Obaidi, N.F, Morisco, L.L, Benach, J, Koss, J, Wasserman, S.R, Gerlt, J.A, Almo, S.C, Enzyme Function Initiative (EFI)
Deposit date:2016-02-22
Release date:2016-04-20
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.2 Å)
Cite:Crystal structure of an ABC solute binding protein from Rhizobium etli CFN 42 (RHE_PF00037,TARGET EFI-511357) in complex with alpha-D-apiose
To be published
8VKX
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BU of 8vkx by Molmil
VX22 bound to GII.4 P domain
Descriptor: VP1, VX22 heavy chain, VX22 light chain
Authors:Olia, A.S, Park, J, Lindesmith, L.C, Kwong, P.D.
Deposit date:2024-01-10
Release date:2025-02-19
Last modified:2025-09-03
Method:X-RAY DIFFRACTION (3.35 Å)
Cite:Broadly neutralizing antibodies targeting pandemic GII.4 variants or seven GII genotypes of human norovirus.
Sci Transl Med, 17, 2025
5IH8
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BU of 5ih8 by Molmil
MELK in complex with NVS-MELK1
Descriptor: Maternal embryonic leucine zipper kinase, N-[(pyridin-2-yl)methyl]-4-[4-(pyridin-4-yl)-1H-pyrazol-1-yl]benzamide
Authors:Sprague, E.R, Puleo, D.E.
Deposit date:2016-02-29
Release date:2016-06-01
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Toward the Validation of Maternal Embryonic Leucine Zipper Kinase: Discovery, Optimization of Highly Potent and Selective Inhibitors, and Preliminary Biology Insight.
J.Med.Chem., 59, 2016
6VXC
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BU of 6vxc by Molmil
Crystal structure of hydroxyproline dehydratase (HypD) from Clostridioides difficile
Descriptor: GLYCEROL, Trans-4-hydroxy-L-proline dehydratase
Authors:Backman, L.R.F, Drennan, C.L.
Deposit date:2020-02-21
Release date:2020-04-08
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.05 Å)
Cite:Molecular basis for catabolism of the abundant metabolitetrans-4-hydroxy-L-proline by a microbial glycyl radical enzyme.
Elife, 9, 2020
8VXX
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BU of 8vxx by Molmil
Mango II bound to 365A-061
Descriptor: 3-[2-({[(6P)-2-fluoro-6-(1H-pyrazol-1-yl)phenyl]methyl}amino)-2-oxoethyl]-2-[(E)-(1-methylquinolin-4(1H)-ylidene)methyl]-1,3-benzothiazol-3-ium, Chains: A,B,C, POTASSIUM ION
Authors:Passalacqua, L.F.M, Ferre-D'Amare, A.R, Schneekloth, J.S.
Deposit date:2024-02-06
Release date:2025-02-19
Last modified:2025-10-08
Method:X-RAY DIFFRACTION (3.1 Å)
Cite:Structure-informed design of an ultrabright RNA-activated fluorophore.
Nat.Chem., 17, 2025
7MA8
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BU of 7ma8 by Molmil
HIV-1 Protease (I84V) in Complex with UMass8
Descriptor: (3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-yl {(1S,2R)-1-benzyl-3-[(2-ethylbutyl){[4-(hydroxymethyl)phenyl]sulfonyl}amino]-2-hydroxypropyl}carbamate, Protease, SULFATE ION
Authors:Lockbaum, G.J, Schiffer, C.A.
Deposit date:2021-03-31
Release date:2022-11-09
Last modified:2024-12-25
Method:X-RAY DIFFRACTION (1.901 Å)
Cite:HIV-1 Protease (I84V) in Complex with UMass8
To Be Published
5W17
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BU of 5w17 by Molmil
Crystal structure of Campylobacter jejuni YCEI protein that crystallizes with large solvent channels for nanotechnology applications
Descriptor: EICOSANE, Putative periplasmic protein, SULFATE ION
Authors:Huber, T.R, Snow, C.D.
Deposit date:2017-06-01
Release date:2018-01-03
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.58 Å)
Cite:Installing Guest Molecules at Specific Sites within Scaffold Protein Crystals.
Bioconjug. Chem., 29, 2018
7MA4
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BU of 7ma4 by Molmil
HIV-1 Protease (I84V) in Complex with UMass3
Descriptor: (3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-yl [(1S,2R)-1-benzyl-2-hydroxy-3-({[4-(hydroxymethyl)phenyl]sulfonyl}[(2S)-2-methylbutyl]amino)propyl]carbamate, Protease, SULFATE ION
Authors:Lockbaum, G.J, Schiffer, C.A.
Deposit date:2021-03-31
Release date:2022-11-09
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.989 Å)
Cite:HIV-1 Protease (I84V) in Complex with UMass3
To Be Published
8VR8
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BU of 8vr8 by Molmil
Structure of Mycobacterium smegmatis 50S ribosomal subunit bound to HflX and chloramphenicol:50S-HflX-B-Clm
Descriptor: 23S ribosomal RNA, 50S Ribosomal Protein L13, 50S Ribosomal Protein L20, ...
Authors:Majumdar, S, Koripella, R.K, Sharma, M.R, Manjari, S.R, Banavali, N.K, Agrawal, R.K.
Deposit date:2024-01-20
Release date:2025-02-19
Last modified:2025-04-30
Method:ELECTRON MICROSCOPY (3.25 Å)
Cite:HflX-mediated drug resistance through ribosome splitting and rRNA disordering in mycobacteria.
Proc.Natl.Acad.Sci.USA, 122, 2025
5IIA
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BU of 5iia by Molmil
Crystal structure of red abalone egg VERL repeat 3 in complex with sperm lysin at 1.7 A resolution (crystal form I)
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Egg-lysin, Vitelline envelope sperm lysin receptor
Authors:Sadat Al-Hosseini, H, Raj, I, Nishimura, K, De Sanctis, D, Jovine, L.
Deposit date:2016-03-01
Release date:2017-06-14
Last modified:2024-11-06
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Structural Basis of Egg Coat-Sperm Recognition at Fertilization.
Cell, 169, 2017
8VK0
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BU of 8vk0 by Molmil
Structure of Mycobacterium smegmatis 50S ribosomal subunit bound to HflX:50S-HflX-A
Descriptor: 23S ribosomal RNA, 50S Ribosomal Protein L13, 50S Ribosomal Protein L18, ...
Authors:Majumdar, S, Koripella, R.K, Sharma, M.R, Manjari, S.R, Banavali, N.K, Agrawal, R.K.
Deposit date:2024-01-08
Release date:2025-02-19
Last modified:2025-04-30
Method:ELECTRON MICROSCOPY (3.14 Å)
Cite:HflX-mediated drug resistance through ribosome splitting and rRNA disordering in mycobacteria.
Proc.Natl.Acad.Sci.USA, 122, 2025
6VJI
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BU of 6vji by Molmil
Structure of mammalian NEIL2 from Monodelphis domestica
Descriptor: Nei like DNA glycosylase 2, ZINC ION
Authors:Eckenroth, B.E, Doublie, S.
Deposit date:2020-01-16
Release date:2020-08-12
Last modified:2024-11-06
Method:X-RAY DIFFRACTION (2.54 Å)
Cite:Unique Structural Features of Mammalian NEIL2 DNA Glycosylase Prime Its Activity for Diverse DNA Substrates and Environments.
Structure, 29, 2021
8VK7
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BU of 8vk7 by Molmil
Structure of Mycobacterium smegmatis 50S ribosomal subunit bound to HflX:50S-HflX-B
Descriptor: 23S ribosomal RNA, 50S Ribosomal Protein L13, 50S Ribosomal Protein L18, ...
Authors:Majumdar, S, Koripella, R.K, Sharma, M.R, Manjari, S.R, Banavali, N.K, Agrawal, R.K.
Deposit date:2024-01-08
Release date:2025-02-19
Last modified:2025-04-30
Method:ELECTRON MICROSCOPY (3.09 Å)
Cite:HflX-mediated drug resistance through ribosome splitting and rRNA disordering in mycobacteria.
Proc.Natl.Acad.Sci.USA, 122, 2025
8VIO
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BU of 8vio by Molmil
Structure of Mycobacterium smegmatis HflX bound to a 70S ribosome
Descriptor: 16S ribosomal RNA, 23S ribosomal RNA, 30S Ribosomal Protein S14, ...
Authors:Majumdar, S, Koripella, R.K, Sharma, M.R, Manjari, S.R, Banavali, N.K, Agrawal, R.K.
Deposit date:2024-01-05
Release date:2025-02-19
Last modified:2025-04-30
Method:ELECTRON MICROSCOPY (3.26 Å)
Cite:HflX-mediated drug resistance through ribosome splitting and rRNA disordering in mycobacteria.
Proc.Natl.Acad.Sci.USA, 122, 2025
5IIX
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BU of 5iix by Molmil
Crystal structure of Equine Serum Albumin in the presence of 15 mM zinc at pH 6.5
Descriptor: SULFATE ION, Serum albumin, UNKNOWN LIGAND, ...
Authors:Handing, K.B, Shabalin, I.G, Cooper, D.R, Gasiorowska, O.A, Almo, S.C, Minor, W, New York Structural Genomics Research Consortium (NYSGRC)
Deposit date:2016-03-01
Release date:2016-03-16
Last modified:2024-11-06
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Circulatory zinc transport is controlled by distinct interdomain sites on mammalian albumins.
Chem Sci, 7, 2016
8VKI
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BU of 8vki by Molmil
Structure of Mycobacterium smegmatis 50S ribosomal subunit bound to HflX:50S-HflX-C
Descriptor: 23S ribosomal RNA, 50S Ribosomal Protein L13, 50S Ribosomal Protein L18, ...
Authors:Majumdar, S, Koripella, R.K, Sharma, M.R, Manjari, S.R, Banavali, N.K, Agrawal, R.K.
Deposit date:2024-01-09
Release date:2025-02-19
Last modified:2025-04-30
Method:ELECTRON MICROSCOPY (2.96 Å)
Cite:HflX-mediated drug resistance through ribosome splitting and rRNA disordering in mycobacteria.
Proc.Natl.Acad.Sci.USA, 122, 2025
8VKW
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BU of 8vkw by Molmil
Structure of Mycobacterium smegmatis 50S ribosomal subunit bound to delNTE-HflX
Descriptor: 23S ribosomal RNA, 50S Ribosomal Protein L13, 50S Ribosomal Protein L18, ...
Authors:Majumdar, S, Koripella, R.K, Sharma, M.R, Manjari, S.R, Banavali, N.K, Agrawal, R.K.
Deposit date:2024-01-10
Release date:2025-02-19
Last modified:2025-04-30
Method:ELECTRON MICROSCOPY (3.44 Å)
Cite:HflX-mediated drug resistance through ribosome splitting and rRNA disordering in mycobacteria.
Proc.Natl.Acad.Sci.USA, 122, 2025
7LVA
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BU of 7lva by Molmil
Solution structure of the HIV-1 PBS-segment
Descriptor: RNA (103-MER)
Authors:Heng, X, Song, Z.
Deposit date:2021-02-24
Release date:2021-03-17
Last modified:2024-05-15
Method:SOLUTION NMR, SOLUTION SCATTERING
Cite:The three-way junction structure of the HIV-1 PBS-segment binds host enzyme important for viral infectivity.
Nucleic Acids Res., 49, 2021
5W1Y
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BU of 5w1y by Molmil
SETD8 in complex with a covalent inhibitor
Descriptor: 2-(4-methylpiperazin-1-yl)-3-(phenylsulfanyl)naphthalene-1,4-dione, N-lysine methyltransferase KMT5A, UNKNOWN ATOM OR ION
Authors:Tempel, W, Yu, W, Li, Y, Blum, G, Luo, M, Pittella-Silva, F, Bountra, C, Arrowsmith, C.H, Edwards, A.M, Brown, P.J, Structural Genomics Consortium (SGC)
Deposit date:2017-06-05
Release date:2017-06-21
Last modified:2024-11-06
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:SETD8 in complex with a covalent inhibitor
to be published
6VL7
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BU of 6vl7 by Molmil
Crystal structure of the H583C mutant of GoxA soaked with glycine
Descriptor: DI(HYDROXYETHYL)ETHER, Glycine oxidase, MAGNESIUM ION, ...
Authors:Yukl, E.T.
Deposit date:2020-01-22
Release date:2020-04-08
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.14 Å)
Cite:Roles of active-site residues in catalysis, substrate binding, cooperativity, and the reaction mechanism of the quinoprotein glycine oxidase.
J.Biol.Chem., 295, 2020

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数据于2025-10-22公开中

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