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8F5V
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BU of 8f5v by Molmil
Crystal structure of Mycobacterium tuberculosis Mycothiol S-transferase enzyme in complex with mycothiol and Zn2+
Descriptor: Conserved protein, Mycothiol, ZINC ION
Authors:Jayasinghe, Y.P, Ronning, D.R.
Deposit date:2022-11-15
Release date:2023-04-05
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.45 Å)
Cite:The Mycobacterium tuberculosis mycothiol S -transferase is divalent metal-dependent for mycothiol binding and transfer.
Rsc Med Chem, 14, 2023
7RRG
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BU of 7rrg by Molmil
Crystal structure of human 0606T1-2 TCR bound to HLA-A*03:01 in complex with a mutant PIK3CA peptide
Descriptor: Beta-2-microglobulin, GLYCEROL, HLA class I histocompatibility antigen, ...
Authors:Ma, J, Baker, B.M.
Deposit date:2021-08-09
Release date:2022-03-23
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.12 Å)
Cite:Immunogenicity and therapeutic targeting of a public neoantigen derived from mutated PIK3CA.
Nat Med, 28, 2022
7UB0
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BU of 7ub0 by Molmil
SARS-CoV-2 Omicron-BA.2 3-RBD down Spike Protein Trimer without the P986-P987 stabilizing mutations (S-GSAS-Omicron-BA.2)
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Spike glycoprotein
Authors:Stalls, V, Acharya, P.
Deposit date:2022-03-14
Release date:2022-04-20
Last modified:2022-07-13
Method:ELECTRON MICROSCOPY (3.31 Å)
Cite:Cryo-EM structures of SARS-CoV-2 Omicron BA.2 spike.
Cell Rep, 39, 2022
7UB6
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BU of 7ub6 by Molmil
SARS-CoV-2 Omicron-BA.2 3-RBD down Spike Protein Trimer without the P986-P987 stabilizing mutations (S-GSAS-Omicron-BA.2)
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Spike glycoprotein
Authors:Stalls, V, Acharya, P.
Deposit date:2022-03-14
Release date:2022-04-20
Last modified:2022-07-13
Method:ELECTRON MICROSCOPY (3.52 Å)
Cite:Cryo-EM structures of SARS-CoV-2 Omicron BA.2 spike.
Cell Rep, 39, 2022
7UB5
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BU of 7ub5 by Molmil
SARS-CoV-2 Omicron-BA.2 3-RBD down Spike Protein Trimer without the P986-P987 stabilizing mutations (S-GSAS-Omicron-BA.2)
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Spike glycoprotein
Authors:Stalls, V, Acharya, P.
Deposit date:2022-03-14
Release date:2022-04-20
Last modified:2022-07-13
Method:ELECTRON MICROSCOPY (3.35 Å)
Cite:Cryo-EM structures of SARS-CoV-2 Omicron BA.2 spike.
Cell Rep, 39, 2022
7TP4
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BU of 7tp4 by Molmil
Crystal structure of SARS-CoV-2 receptor binding domain in complex with neutralizing antibody K398.22
Descriptor: 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, K398.22 heavy chain, ...
Authors:Yuan, M, Zhu, X, Wilson, I.A.
Deposit date:2022-01-24
Release date:2022-02-23
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Broadly neutralizing antibodies to SARS-related viruses can be readily induced in rhesus macaques.
Sci Transl Med, 14, 2022
2RCM
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BU of 2rcm by Molmil
Crystal Structure of Arabidopsis thaliana Allene Oxide Synthase variant (F137L) (At-AOS(F137L), cytochrome P450 74A) at 1.73 A Resolution
Descriptor: Cytochrome P450 74A, GLYCEROL, PROTOPORPHYRIN IX CONTAINING FE
Authors:Lee, D.S, Nioche, P, Raman, C.S.
Deposit date:2007-09-20
Release date:2008-08-19
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (1.73 Å)
Cite:Structural insights into the evolutionary paths of oxylipin biosynthetic enzymes.
Nature, 455, 2008
2RCL
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BU of 2rcl by Molmil
Crystal Structure of Arabidopsis thaliana Allene Oxide Synthase (AOS, cytochrome P450 74A, CYP74A) Complexed with 12R,13S-Vernolic Acid at 2.4 A resolution
Descriptor: (9Z)-11-[(2R,3S)-3-pentyloxiran-2-yl]undec-9-enoic acid, Cytochrome P450 74A, GLYCEROL, ...
Authors:Lee, D.S, Nioche, P, Raman, C.S.
Deposit date:2007-09-20
Release date:2008-08-19
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2.41 Å)
Cite:Structural insights into the evolutionary paths of oxylipin biosynthetic enzymes.
Nature, 455, 2008
2RBE
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BU of 2rbe by Molmil
The discovery of 2-anilinothiazolones as 11beta-HSD1 inhibitors
Descriptor: (5R)-2-[(2-fluorophenyl)amino]-5-(1-methylethyl)-1,3-thiazol-4(5H)-one, Corticosteroid 11-beta-dehydrogenase isozyme 1, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE
Authors:Zhang, J, Jordan, S.R, Li, V.
Deposit date:2007-09-18
Release date:2008-01-15
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:The discovery of 2-anilinothiazolones as 11beta-HSD1 inhibitors.
Bioorg.Med.Chem.Lett., 17, 2007
2RJQ
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BU of 2rjq by Molmil
Crystal structure of ADAMTS5 with inhibitor bound
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 4-(N-HYDROXYAMINO)-2R-ISOBUTYL-2S-(2-THIENYLTHIOMETHYL)SUCCINYL-L-PHENYLALANINE-N-METHYLAMIDE, ADAMTS-5, ...
Authors:Mosyak, L, Stahl, M, Somers, W.
Deposit date:2007-10-15
Release date:2007-12-11
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Crystal structures of the two major aggrecan degrading enzymes, ADAMTS4 and ADAMTS5.
Protein Sci., 17, 2008
2RCH
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BU of 2rch by Molmil
Crystal Structure of Arabidopsis thaliana Allene Oxide Synthase (AOS, cytochrome P450 74A, CYP74A) Complexed with 13(S)-HOD at 1.85 A Resolution
Descriptor: (9Z,11E,13S)-13-hydroxyoctadeca-9,11-dienoic acid, Cytochrome P450 74A, GLYCEROL, ...
Authors:Lee, D.S, Nioche, P, Raman, C.S.
Deposit date:2007-09-20
Release date:2008-08-19
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Structural insights into the evolutionary paths of oxylipin biosynthetic enzymes.
Nature, 455, 2008
2RA1
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BU of 2ra1 by Molmil
Crystal structure of the N-terminal part of the bacterial S-layer protein SbsC
Descriptor: Surface layer protein
Authors:Pavkov, T, Egelseer, E.M, Tesarz, M, Sleytr, U.B, Keller, W.
Deposit date:2007-09-14
Release date:2008-08-19
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (2.406 Å)
Cite:The structure and binding behavior of the bacterial cell surface layer protein SbsC.
Structure, 16, 2008
3EP2
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BU of 3ep2 by Molmil
Model of Phe-tRNA(Phe) in the ribosomal pre-accommodated state revealed by cryo-EM
Descriptor: 30S ribosomal protein S12, 50S ribosomal protein L11, Elongation factor Tu, ...
Authors:Frank, J, Li, W, Agirrezabala, X.
Deposit date:2008-09-29
Release date:2008-12-16
Last modified:2024-02-21
Method:ELECTRON MICROSCOPY (9 Å)
Cite:Recognition of aminoacyl-tRNA: a common molecular mechanism revealed by cryo-EM.
Embo J., 27, 2008
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
2RJP
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BU of 2rjp by Molmil
Crystal structure of ADAMTS4 with inhibitor bound
Descriptor: ADAMTS-4, CALCIUM ION, N-({4'-[(4-isobutyrylphenoxy)methyl]biphenyl-4-yl}sulfonyl)-D-valine, ...
Authors:Mosyak, L, Stahl, M, Somers, W.
Deposit date:2007-10-15
Release date:2007-12-11
Last modified:2021-10-20
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Crystal structures of the two major aggrecan degrading enzymes, ADAMTS4 and ADAMTS5.
Protein Sci., 17, 2008
2RMA
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BU of 2rma by Molmil
Crystal structures of cyclophilin A complexed with cyclosporin A and N-methyl-4-[(E)-2-butenyl]-4,4-dimethylthreonine cyclosporin A
Descriptor: CYCLOSPORIN A, PEPTIDYL-PROLYL CIS-TRANS ISOMERASE
Authors:Ke, H, Mayrose, D.
Deposit date:1994-01-07
Release date:1995-02-07
Last modified:2017-11-01
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Crystal Structures of Cyclophilin a Complexed with Cyclosporin a and N-Methyl-4-[(E)-2-Butenyl]-4,4-Dimethylthreonine Cyclosporin A.
Structure, 2, 1994
3ES8
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BU of 3es8 by Molmil
Crystal structure of divergent enolase from Oceanobacillus Iheyensis complexed with Mg and L-malate.
Descriptor: (2S)-2-hydroxybutanedioic acid, MAGNESIUM ION, Muconate cycloisomerase
Authors:Fedorov, A.A, Fedorov, E.V, Sauder, J.M, Burley, S.K, Gerlt, J.A, Almo, S.C, New York SGX Research Center for Structural Genomics (NYSGXRC)
Deposit date:2008-10-04
Release date:2008-10-21
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Computation-facilitated assignment of the function in the enolase superfamily: a regiochemically distinct galactarate dehydratase from Oceanobacillus iheyensis .
Biochemistry, 48, 2009
7KIY
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BU of 7kiy by Molmil
Plasmodium falciparum RhopH complex in soluble form
Descriptor: Cytoadherence linked asexual protein 3, High molecular weight rhoptry protein 3, High molecular weight rhoptry protein-2
Authors:Schureck, M.A, Darling, J.E, Merk, A, Subramaniam, S, Desai, S.A.
Deposit date:2020-10-25
Release date:2021-01-13
Method:ELECTRON MICROSCOPY (2.92 Å)
Cite:Malaria parasites use a soluble RhopH complex for erythrocyte invasion and an integral form for nutrient uptake.
Elife, 10, 2021
7KL9
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BU of 7kl9 by Molmil
Structure of the SARS-CoV-2 S 6P trimer in complex with the ACE2 protein decoy, CTC-445.2 (State 4)
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CTC-445.2 inhibitor, ...
Authors:Barnes, C.O, Bjorkman, P.J.
Deposit date:2020-10-29
Release date:2020-11-11
Last modified:2020-12-16
Method:ELECTRON MICROSCOPY (4.1 Å)
Cite:De novo design of potent and resilient hACE2 decoys to neutralize SARS-CoV-2.
Science, 370, 2020
7KLD
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BU of 7kld by Molmil
Crystal Structure of an Essential Ribosomal Processing Protease Prp from S. aureus in complex with a covalently linked product Peptide
Descriptor: CALCIUM ION, LYS-LEU-ASN-LEU-GLN-PHE-PCS, Phage-related ribosomal protease
Authors:Wright, H.T, Peterson, D.
Deposit date:2020-10-29
Release date:2021-09-01
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (2.25 Å)
Cite:Phage-Related Ribosomal Protease (Prp) of Staphylococcus aureus : In Vitro Michaelis-Menten Kinetics, Screening for Inhibitors, and Crystal Structure of a Covalent Inhibition Product Complex.
Biochemistry, 61, 2022
7L1D
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BU of 7l1d by Molmil
Crystal structure of human 21LT2-2 TCR bound to HLA-A*03:01 in complex with a mutant PIK3CA peptide
Descriptor: ACETATE ION, Beta-2-microglobulin, GLYCEROL, ...
Authors:Ma, J, Baker, B.M.
Deposit date:2020-12-14
Release date:2022-03-23
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (3.11 Å)
Cite:Immunogenicity and therapeutic targeting of a public neoantigen derived from mutated PIK3CA.
Nat Med, 28, 2022
7F4V
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BU of 7f4v by Molmil
Cryo-EM structure of a primordial cyanobacterial photosystem I
Descriptor: 1,2-DIPALMITOYL-PHOSPHATIDYL-GLYCEROLE, 1,2-DISTEAROYL-MONOGALACTOSYL-DIGLYCERIDE, BETA-CAROTENE, ...
Authors:Kato, K, Hamaguchi, T, Nagao, R, Kawakami, K, Yonekura, K, Shen, J.R.
Deposit date:2021-06-21
Release date:2022-04-06
Method:ELECTRON MICROSCOPY (2.04 Å)
Cite:Structural basis for the absence of low-energy chlorophylls responsible for photoprotection from a primitive cyanobacterial PSI
Biorxiv, 2022
7L1C
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BU of 7l1c by Molmil
Crystal structure of HLA-A*03:01 in complex with a mutant PIK3CA peptide
Descriptor: Beta-2-microglobulin, FORMIC ACID, GLYCEROL, ...
Authors:Ma, J, Baker, B.M.
Deposit date:2020-12-14
Release date:2022-03-23
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.96 Å)
Cite:Immunogenicity and therapeutic targeting of a public neoantigen derived from mutated PIK3CA.
Nat Med, 28, 2022
7L1B
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BU of 7l1b by Molmil
Crystal structure of HLA-A*03:01 in complex with a wild-type PIK3CA peptide
Descriptor: Beta-2-microglobulin, GLYCEROL, HLA class I histocompatibility antigen, ...
Authors:Ma, J, Baker, B.M.
Deposit date:2020-12-14
Release date:2022-03-23
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.04 Å)
Cite:Immunogenicity and therapeutic targeting of a public neoantigen derived from mutated PIK3CA.
Nat Med, 28, 2022
3FYY
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BU of 3fyy by Molmil
Crystal structure of divergent enolase from Oceanobacillus iheyensis complexed with Mg
Descriptor: MAGNESIUM ION, Muconate cycloisomerase
Authors:Fedorov, A.A, Fedorov, E.V, Sauder, J.M, Burley, S.K, Gerlt, J.A, Almo, S.C, New York SGX Research Center for Structural Genomics (NYSGXRC)
Deposit date:2009-01-23
Release date:2009-02-03
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Computation-facilitated assignment of the function in the enolase superfamily: a regiochemically distinct galactarate dehydratase from Oceanobacillus iheyensis .
Biochemistry, 48, 2009

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數據於2024-07-17公開中

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