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2RF2
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BU of 2rf2 by Molmil
HIV reverse transcriptase in complex with inhibitor 7e (NNRTI)
Descriptor: 5-bromo-3-(pyrrolidin-1-ylsulfonyl)-1H-indole-2-carboxamide, Reverse transcriptase/ribonuclease H (EC 2.7.7.49) (EC 2.7.7.7) (EC 3.1.26.4) (p66 RT)
Authors:Yan, Y, Prasad, S.
Deposit date:2007-09-27
Release date:2008-01-01
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Novel indole-3-sulfonamides as potent HIV non-nucleoside reverse transcriptase inhibitors (NNRTIs).
Bioorg.Med.Chem.Lett., 18, 2008
4V4F
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BU of 4v4f by Molmil
The structure of the trp RNA-binding attenuation protein (TRAP) bound to a RNA molecule containing UAGAU repeats
Descriptor: 5'-R(*UP*AP*GP*AP*UP)-3', TRANSCRIPTION ATTENUATION PROTEIN MTRB, TRYPTOPHAN
Authors:Hopcroft, N.H, Manfredo, A, Wendt, A.L, Brzozowski, A.M, Gollnick, P, Antson, A.A.
Deposit date:2003-12-08
Release date:2014-07-09
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:The Interaction of RNA with Trap: The Role of Triplet Repeats and Separating Spacer Nucleotides
J.Mol.Biol., 338, 2004
8H7B
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BU of 8h7b by Molmil
The crystal structure of human mcl1 kinase domain in complex with MCL1-M-EBA
Descriptor: 7-[3-(isoquinolin-7-yloxymethyl)-1,5-dimethyl-pyrazol-4-yl]-3-(3-naphthalen-1-yloxypropyl)-1H-indole-2-carboxylic acid, Induced myeloid leukemia cell differentiation protein Mcl-1
Authors:Zhu, C.J, Zhang, Z.M.
Deposit date:2022-10-19
Release date:2023-02-22
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (1.46408451 Å)
Cite:2-Ethynylbenzaldehyde-Based, Lysine-Targeting Irreversible Covalent Inhibitors for Protein Kinases and Nonkinases.
J.Am.Chem.Soc., 2023
2RJC
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BU of 2rjc by Molmil
Crystal structure of L3MBTL1 protein in complex with MES
Descriptor: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, Lethal(3)malignant brain tumor-like protein, SULFATE ION
Authors:Allali-Hassani, A, Liu, Y, Herzanych, N, Ouyang, H, Mackenzie, F, Crombet, L, Loppnau, P, Kozieradzki, I, Vedadi, M, Weigelt, J, Sundstrom, M, Arrowsmith, C.H, Edwards, A.M, Bochkarev, A, Min, J.R, Structural Genomics Consortium (SGC)
Deposit date:2007-10-14
Release date:2007-10-30
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2 Å)
Cite:L3MBTL1 recognition of mono- and dimethylated histones.
Nat.Struct.Mol.Biol., 14, 2007
5SRT
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BU of 5srt by Molmil
PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with Z5198562791 - (R) isomer
Descriptor: 7-fluoro-4-[(2R)-2-(1H-tetrazol-5-yl)morpholin-4-yl]-9H-pyrimido[4,5-b]indole, Non-structural protein 3
Authors:Correy, G.J, Fraser, J.S.
Deposit date:2022-06-09
Release date:2022-07-06
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.05 Å)
Cite:Iterative computational design and crystallographic screening identifies potent inhibitors targeting the Nsp3 macrodomain of SARS-CoV-2.
Proc.Natl.Acad.Sci.USA, 120, 2023
8HKG
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BU of 8hkg by Molmil
Crystal structure of glycosidic hydrolase family 10 (GH10) xylanase XynA contains an additional proline-rich sequence in the C-terminus
Descriptor: xylanase
Authors:Dong, R.Y, Tu, T.
Deposit date:2022-11-26
Release date:2023-02-22
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2.56 Å)
Cite:Effectiveness of ruminal xylanase with an extra proline-rich C-terminus on lignocellulosic biomass degradation.
Bioresour Technol, 372, 2023
2RK0
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BU of 2rk0 by Molmil
Crystal structure of glyoxylase/bleomycin resistance protein/dioxygenase domain from Frankia sp. EAN1pec
Descriptor: Glyoxalase/Bleomycin resistance protein/dioxygenase domain
Authors:Sugadev, R, Burley, S.K, Swaminathan, S, New York SGX Research Center for Structural Genomics (NYSGXRC)
Deposit date:2007-10-16
Release date:2007-10-30
Last modified:2021-02-03
Method:X-RAY DIFFRACTION (2.04 Å)
Cite:Crystal structure of glyoxylase/bleomycin resistance protein/dioxygenase domain from Frankia sp. EAN1pec.
To be Published
5SP8
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BU of 5sp8 by Molmil
PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with Z5010894415 - (S) isomer
Descriptor: (6~{S})-7-[4-(cyclopropylcarbamoylamino)phenyl]carbonyl-3-methyl-6,8-dihydro-5~{H}-[1,2,4]triazolo[4,3-a]pyrazine-6-carboxylic acid, Non-structural protein 3
Authors:Correy, G.J, Fraser, J.S.
Deposit date:2022-06-09
Release date:2022-07-13
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.05 Å)
Cite:Iterative computational design and crystallographic screening identifies potent inhibitors targeting the Nsp3 macrodomain of SARS-CoV-2.
Proc.Natl.Acad.Sci.USA, 120, 2023
8CEH
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BU of 8ceh by Molmil
Translocation intermediate 4 (TI-4) of 80S S. cerevisiae ribosome with ligands and eEF2 in the presence of sordarin
Descriptor: 18S ribosomal RNA, 25S ribosomal RNA, 40S ribosomal protein S0-A, ...
Authors:Milicevic, N, Jenner, L, Myasnikov, A, Yusupov, M, Yusupova, G.
Deposit date:2023-02-01
Release date:2023-09-20
Last modified:2024-04-24
Method:ELECTRON MICROSCOPY (2.05 Å)
Cite:mRNA reading frame maintenance during eukaryotic ribosome translocation.
Nature, 625, 2024
5SPD
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BU of 5spd by Molmil
PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with Z4718398539 - (R,R) and (S,S) isomers
Descriptor: (1R,2R)-1-[4-(cyclopropylcarbamamido)benzamido]-4-hydroxy-2,3-dihydro-1H-indene-2-carboxylic acid, (1S,2S)-1-[4-(cyclopropylcarbamamido)benzamido]-4-hydroxy-2,3-dihydro-1H-indene-2-carboxylic acid, Non-structural protein 3
Authors:Correy, G.J, Fraser, J.S.
Deposit date:2022-06-09
Release date:2022-07-13
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.05 Å)
Cite:Iterative computational design and crystallographic screening identifies potent inhibitors targeting the Nsp3 macrodomain of SARS-CoV-2.
Proc.Natl.Acad.Sci.USA, 120, 2023
8H7F
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BU of 8h7f by Molmil
The crystal structure of human abl1 kinase domain in complex with abl1-B-EBA
Descriptor: 1-[6-(6-methoxyisoquinolin-7-yl)-1,3-benzothiazol-2-yl]-3-(2-oxidanylideneethyl)urea, Tyrosine-protein kinase ABL1
Authors:Zhu, C.J, Zhang, Z.M.
Deposit date:2022-10-20
Release date:2023-03-01
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (2.45013428 Å)
Cite:2-Ethynylbenzaldehyde-Based, Lysine-Targeting Irreversible Covalent Inhibitors for Protein Kinases and Nonkinases.
J.Am.Chem.Soc., 2023
4V4W
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BU of 4v4w by Molmil
Structure of a SecM-stalled E. coli ribosome complex obtained by fitting atomic models for RNA and protein components into cryo-EM map EMD-1143
Descriptor: 16S ribosomal RNA, 23S ribosomal RNA, 30S ribosomal subunit protein S10, ...
Authors:Mitra, K, Frank, J.
Deposit date:2006-05-09
Release date:2014-07-09
Last modified:2024-02-28
Method:ELECTRON MICROSCOPY (15 Å)
Cite:Elongation arrest by SecM via a cascade of ribosomal RNA rearrangements
Mol.Cell, 22, 2006
5SPE
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BU of 5spe by Molmil
PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with Z4718398531 - (S,S) isomer
Descriptor: (1S,2S)-1-{4-[(methoxycarbonyl)amino]benzamido}-2,3-dihydro-1H-indene-2-carboxylic acid, Non-structural protein 3
Authors:Correy, G.J, Fraser, J.S.
Deposit date:2022-06-09
Release date:2022-07-13
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.05 Å)
Cite:Iterative computational design and crystallographic screening identifies potent inhibitors targeting the Nsp3 macrodomain of SARS-CoV-2.
Proc.Natl.Acad.Sci.USA, 120, 2023
8H39
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BU of 8h39 by Molmil
Structure of Acb2 complexed with c-di-AMP
Descriptor: (2R,3R,3aS,5R,7aR,9R,10R,10aS,12R,14aR)-2,9-bis(6-amino-9H-purin-9-yl)octahydro-2H,7H-difuro[3,2-d:3',2'-j][1,3,7,9,2,8 ]tetraoxadiphosphacyclododecine-3,5,10,12-tetrol 5,12-dioxide, 1,2-ETHANEDIOL, p26
Authors:Feng, Y, Cao, X.L.
Deposit date:2022-10-08
Release date:2023-02-22
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (2.01 Å)
Cite:Bacteriophages inhibit and evade cGAS-like immune function in bacteria.
Cell, 186, 2023
2RFO
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BU of 2rfo by Molmil
Crystral Structure of the nucleoporin Nic96
Descriptor: Nucleoporin NIC96
Authors:Schrader, N, Stelter, P, Flemming, D, Kunze, K, Hurt, E, Vetter, I.R.
Deposit date:2007-10-01
Release date:2008-01-29
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Structural basis of the nic96 subcomplex organization in the nuclear pore channel.
Mol.Cell, 29, 2008
4V58
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BU of 4v58 by Molmil
Crystal structure of fatty acid synthase from thermomyces lanuginosus at 3.1 angstrom resolution.
Descriptor: FATTY ACID SYNTHASE ALPHA SUBUNITS, FATTY ACID SYNTHASE BETA SUBUNITS, FLAVIN MONONUCLEOTIDE
Authors:Jenni, S, Leibundgut, M, Boehringer, D, Frick, C, Mikolasek, B, Ban, N.
Deposit date:2007-03-09
Release date:2014-07-09
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (3.1 Å)
Cite:Structure of Fungal Fatty Acid Synthase and Implications for Iterative Substrate Shuttling
Science, 316, 2007
2RGB
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BU of 2rgb by Molmil
Crystal structure of H-RasQ61K-GppNHp
Descriptor: CALCIUM ION, GTPase HRas, MAGNESIUM ION, ...
Authors:Buhrman, G, Wink, G, Mattos, C.
Deposit date:2007-10-03
Release date:2007-12-18
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (1.35 Å)
Cite:Transformation Efficiency of RasQ61 Mutants Linked to Structural Features of the Switch Regions in the Presence of Raf.
Structure, 15, 2007
8H68
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BU of 8h68 by Molmil
Crystal structure of Caenorhabditis elegans NMAD-1 in complex with NOG and Mg(II)
Descriptor: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, DI(HYDROXYETHYL)ETHER, ...
Authors:Shi, Y, Ding, J, Yang, H.
Deposit date:2022-10-16
Release date:2023-02-22
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Caenorhabditis elegans NMAD-1 functions as a demethylase for actin.
J Mol Cell Biol, 15, 2023
5SSA
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BU of 5ssa by Molmil
PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with ZINClv000001jcNa - (r,r) isomer
Descriptor: Non-structural protein 3, [(1r,3r)-3-{[(thieno[2,3-c]pyridine-5-carbonyl)amino]methyl}cyclobutyl]acetic acid
Authors:Correy, G.J, Fraser, J.S.
Deposit date:2022-06-09
Release date:2022-07-06
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.15 Å)
Cite:Iterative computational design and crystallographic screening identifies potent inhibitors targeting the Nsp3 macrodomain of SARS-CoV-2.
Proc.Natl.Acad.Sci.USA, 120, 2023
4V5F
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BU of 4v5f by Molmil
The structure of the ribosome with elongation factor G trapped in the post-translocational state
Descriptor: 16S ribosomal RNA, 23S RIBOSOMAL RNA, 30S RIBOSOMAL PROTEIN S10, ...
Authors:Gao, Y.-G, Selmer, M, Dunham, C.M, Weixlbaumer, A, Kelley, A.C, Ramakrishnan, V.
Deposit date:2009-09-01
Release date:2014-07-09
Last modified:2024-10-16
Method:X-RAY DIFFRACTION (3.6 Å)
Cite:The structure of the ribosome with elongation factor G trapped in the posttranslocational state.
Science, 326, 2009
2RGG
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BU of 2rgg by Molmil
Crystal structure of H-RasQ61I-GppNHp, trigonal crystal form
Descriptor: GTPase HRas, MAGNESIUM ION, PHOSPHOAMINOPHOSPHONIC ACID-GUANYLATE ESTER
Authors:Buhrman, G, Wink, G, Mattos, C.
Deposit date:2007-10-03
Release date:2007-12-18
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (1.45 Å)
Cite:Transformation Efficiency of RasQ61 Mutants Linked to Structural Features of the Switch Regions in the Presence of Raf.
Structure, 15, 2007
8HLO
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BU of 8hlo by Molmil
Crystal structure of ASAP1-SH3 and MICAL1-PRM complex
Descriptor: Arf-GAP with SH3 domain, ANK repeat and PH domain-containing protein 1, Proline rich motif from MICAL1, ...
Authors:Niu, F, Wei, Z, Yu, C.
Deposit date:2022-11-30
Release date:2023-02-22
Last modified:2024-05-29
Method:X-RAY DIFFRACTION (1.168 Å)
Cite:Crystal Structure of the SH3 Domain of ASAP1 in Complex with the Proline Rich Motif (PRM) of MICAL1 Reveals a Unique SH3/PRM Interaction Mode.
Int J Mol Sci, 24, 2023
4W2P
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BU of 4w2p by Molmil
Anti-Marburgvirus Nucleoprotein Single Domain Antibody C
Descriptor: ACETATE ION, Anti-Marburgvirus Nucleoprotein Single Domain Antibody C, SODIUM ION
Authors:Taylor, A.B, Garza, J.A.
Deposit date:2017-08-17
Release date:2017-10-11
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.77 Å)
Cite:Unveiling a Drift Resistant Cryptotope withinMarburgvirusNucleoprotein Recognized by Llama Single-Domain Antibodies.
Front Immunol, 8, 2017
5SSQ
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BU of 5ssq by Molmil
PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with Z5459166291
Descriptor: 3-{[(1H-benzimidazole-5-carbonyl)amino]methyl}-1H-indole-2-carboxylic acid, Non-structural protein 3
Authors:Correy, G.J, Fraser, J.S.
Deposit date:2022-06-09
Release date:2022-07-06
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.15 Å)
Cite:Iterative computational design and crystallographic screening identifies potent inhibitors targeting the Nsp3 macrodomain of SARS-CoV-2.
Proc.Natl.Acad.Sci.USA, 120, 2023
8GYJ
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BU of 8gyj by Molmil
Crystal structure of Fic25 complexed with PLP-(5S,6S)-N2-acetyl-DADH adduct from Streptomyces ficellus
Descriptor: (2~{S},5~{S},6~{S})-2-acetamido-6-[[2-methyl-3-oxidanyl-5-(phosphonooxymethyl)pyridin-4-yl]methylamino]-5,7-bis(oxidanyl)heptanoic acid, DegT/DnrJ/EryC1/StrS family aminotransferase, GLYCEROL, ...
Authors:Kurosawa, S, Yoshida, A, Tomita, T, Nishiyama, M.
Deposit date:2022-09-22
Release date:2023-02-22
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.82 Å)
Cite:Mechanisms of Sugar Aminotransferase-like Enzymes to Synthesize Stereoisomers of Non-proteinogenic Amino Acids in Natural Product Biosynthesis.
Acs Chem.Biol., 18, 2023

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数据于2024-10-16公开中

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