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7LPF
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BU of 7lpf by Molmil
The internal aldimine form of the wild-type Salmonella typhimurium Tryptophan Synthase in complex with inhibitor N-(4'-trifluoromethoxybenzenesulfonyl)-2-amino-1-ethylphosphate (F9F) at the enzyme alpha-site and sodium ion at the metal coordination site at 1.10 Angstrom resolution
分子名称: 1,2-ETHANEDIOL, 2-({[4-(TRIFLUOROMETHOXY)PHENYL]SULFONYL}AMINO)ETHYL DIHYDROGEN PHOSPHATE, DI(HYDROXYETHYL)ETHER, ...
著者Hilario, E, Dunn, M.F, Mueller, L.J.
登録日2021-02-11
公開日2022-02-16
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.1 Å)
主引用文献The internal aldimine form of the wild-type Salmonella typhimurium Tryptophan Synthase in complex with inhibitor N-(4'-trifluoromethoxybenzenesulfonyl)-2-amino-1-ethylphosphate (F9F) at the enzyme alpha-site and sodium ion at the metal coordination site at 1.10 Angstrom resolution
To be Published
8ROP
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BU of 8rop by Molmil
Crystal structure of HLA B*18:01 in complex with QEIRTFSF, an 8-mer epitope from Influenza A
分子名称: 1,2-ETHANEDIOL, Beta-2-microglobulin, CHLORIDE ION, ...
著者Murdolo, L.D, Maddumage, J.C, Gras, S.
登録日2024-01-12
公開日2024-05-08
実験手法X-RAY DIFFRACTION (1.15 Å)
主引用文献Crystal structure of HLA B*18:01 in complex with QEIRTFSF, an 8-mer epitope from Influenza A
To Be Published
8SFV
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BU of 8sfv by Molmil
High affinity nanobodies to GFP
分子名称: GLYCEROL, Green fluorescent protein, LaG19, ...
著者Ketaren, N.E, Rout, M.P, Bonanno, J.B, Almo, S.C.
登録日2023-04-11
公開日2024-05-22
実験手法X-RAY DIFFRACTION (1.83 Å)
主引用文献High affinity nanobodies to GFP
To Be Published
8SLC
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BU of 8slc by Molmil
High Affinity nanobodies against GFP
分子名称: CHLORIDE ION, GLYCEROL, Green fluorescent protein, ...
著者Ketaren, N.E, Rout, M.P, Bonanno, J.B, Almo, S.C.
登録日2023-04-21
公開日2024-05-22
実験手法X-RAY DIFFRACTION (2.97 Å)
主引用文献High Affinity nanobodies against GFP
To Be Published
7RAX
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BU of 7rax by Molmil
ATP-binding state of the nucleotide-binding domain of Hsp70 DnaK mutant T199A
分子名称: ADENOSINE-5'-TRIPHOSPHATE, Chaperone protein DnaK, GLYCEROL, ...
著者Wang, W, Hendrickson, W.A.
登録日2021-07-04
公開日2023-07-05
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (1.41 Å)
主引用文献Visualization of Hsp70-catalyzed ATP Hydrolysis
To Be Published
7LI0
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BU of 7li0 by Molmil
Crystal structure of apo Moraxella catarrhalis ferric binding protein A in an open conformation
分子名称: CARBONATE ION, CITRIC ACID, DI(HYDROXYETHYL)ETHER, ...
著者Chan, C, Ng, D, Fraser, M.E, Schryvers, A.B.
登録日2021-01-26
公開日2022-02-23
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献Structural and functional insights into iron acquisition from lactoferrin and transferrin in Gram-negative bacterial pathogens.
Biometals, 2022
7REC
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BU of 7rec by Molmil
Structure of Thr354Asn, Glu355Gln, Thr412Asn, Ile414Met, Ile464His, and Phe467Met mutant human CaMKII alpha hub bound to 5-HDC
分子名称: 5-hydroxydiclofenac, Calcium/calmodulin-dependent protein kinase type II subunit alpha, SODIUM ION
著者McSpadden, E.D, Chi, C.C, Gee, C.L, Kuriyan, J.
登録日2021-07-12
公開日2021-07-21
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献GHB analogs confer neuroprotection through specific interaction with the CaMKII alpha hub domain.
Proc.Natl.Acad.Sci.USA, 118, 2021
7LRF
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BU of 7lrf by Molmil
Netrin-1 in complex with SOS
分子名称: 1,2-ETHANEDIOL, 1,3,4,6-tetra-O-sulfo-beta-D-fructofuranose-(2-1)-2,3,4,6-tetra-O-sulfonato-alpha-D-glucopyranose, 2-[N-CYCLOHEXYLAMINO]ETHANE SULFONIC ACID, ...
著者Gupta, M, McDougall, M, Torres, A.M, Stetefeld, J.
登録日2021-02-16
公開日2022-02-23
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (3.21 Å)
主引用文献The dynamic nature of netrin-1 and the structural basis for glycosaminoglycan fragment-induced filament formation.
Nat Commun, 14, 2023
8REF
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BU of 8ref by Molmil
Crystal structure of HLA B*13:01 in complex with SVLNDILARL, an 10-mer epitope from SARS-CoV-2 Spike (S975-984)
分子名称: 1,2-ETHANEDIOL, Beta-2-microglobulin, DI(HYDROXYETHYL)ETHER, ...
著者Ahn, Y.M, Maddumage, J.C, Szeto, C, Gras, S.
登録日2023-12-11
公開日2024-05-15
最終更新日2024-05-22
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献The impact of SARS-CoV-2 spike mutation on peptide presentation is HLA allomorph-specific.
Curr Res Struct Biol, 7, 2024
7LOQ
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BU of 7loq by Molmil
X-ray radiation damage series on Lysozyme at 277K, multi-conformer model, dataset 2
分子名称: CHLORIDE ION, Lysozyme C, SODIUM ION
著者Yabukarski, F, Doukov, T, Herschlag, D.
登録日2021-02-10
公開日2022-02-23
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.3 Å)
主引用文献Evaluating the impact of X-ray damage on conformational heterogeneity in room-temperature (277 K) and cryo-cooled protein crystals.
Acta Crystallogr D Struct Biol, 78, 2022
7LN9
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BU of 7ln9 by Molmil
X-ray radiation damage series on Lysozyme at 277K, multi-conformer model, dataset 1
分子名称: CHLORIDE ION, Lysozyme C, SODIUM ION
著者Yabukarski, F, Doukov, T, Herschlag, D.
登録日2021-02-06
公開日2022-02-23
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.13 Å)
主引用文献Evaluating the impact of X-ray damage on conformational heterogeneity in room-temperature (277 K) and cryo-cooled protein crystals.
Acta Crystallogr D Struct Biol, 78, 2022
7LPL
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BU of 7lpl by Molmil
X-ray radiation damage series on Lysozyme at 277K, multi-conformer model, dataset 3 (merged)
分子名称: CHLORIDE ION, Lysozyme C, SODIUM ION
著者Yabukarski, F, Doukov, T, Herschlag, D.
登録日2021-02-12
公開日2022-02-23
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.14 Å)
主引用文献Evaluating the impact of X-ray damage on conformational heterogeneity in room-temperature (277 K) and cryo-cooled protein crystals.
Acta Crystallogr D Struct Biol, 78, 2022
8RBU
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BU of 8rbu by Molmil
Crystal structure of HLA-A*11:01 in complex with SVLNDILARL, an 10-mer epitope from SARS-CoV-2 Spike (S975-984)
分子名称: 1,2-ETHANEDIOL, Beta-2-microglobulin, CHLORIDE ION, ...
著者Ahn, Y.M, Maddumage, J.C, Szeto, C, Gras, S.
登録日2023-12-05
公開日2024-05-15
最終更新日2024-05-22
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献The impact of SARS-CoV-2 spike mutation on peptide presentation is HLA allomorph-specific.
Curr Res Struct Biol, 7, 2024
7LPM
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BU of 7lpm by Molmil
X-ray radiation damage series on Lysozyme at 277K, multi-conformer model, crystal 2
分子名称: CHLORIDE ION, Lysozyme C, SODIUM ION
著者Yabukarski, F, Doukov, T, Herschlag, D.
登録日2021-02-12
公開日2022-02-23
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.1 Å)
主引用文献Evaluating the impact of X-ray damage on conformational heterogeneity in room-temperature (277 K) and cryo-cooled protein crystals.
Acta Crystallogr D Struct Biol, 78, 2022
7LLP
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BU of 7llp by Molmil
X-ray radiation damage series on Lysozyme at 277K, crystal structure, dataset 1
分子名称: CHLORIDE ION, Lysozyme C, SODIUM ION
著者Yabukarski, F, Doukov, T, Herschlag, D.
登録日2021-02-04
公開日2022-02-23
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.13 Å)
主引用文献Evaluating the impact of X-ray damage on conformational heterogeneity in room-temperature (277 K) and cryo-cooled protein crystals.
Acta Crystallogr D Struct Biol, 78, 2022
8RCV
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BU of 8rcv by Molmil
Crystal structure of HLA B*13:01 in complex with SVLNDIFSRL, an 10-mer epitope from SARS-CoV-2 Spike (S975-984)
分子名称: 1,2-ETHANEDIOL, Beta-2-microglobulin, HLA class I histocompatibility antigen B alpha chain, ...
著者Ahn, Y.M, Maddumage, J.C, Szeto, C, Gras, S.
登録日2023-12-07
公開日2024-05-15
最終更新日2024-05-22
実験手法X-RAY DIFFRACTION (1.65 Å)
主引用文献The impact of SARS-CoV-2 spike mutation on peptide presentation is HLA allomorph-specific.
Curr Res Struct Biol, 7, 2024
7LN8
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BU of 7ln8 by Molmil
X-ray radiation damage series on Lysozyme at 277K, crystal structure, dataset 3
分子名称: CHLORIDE ION, Lysozyme C, SODIUM ION
著者Yabukarski, F, Doukov, T, Herschlag, D.
登録日2021-02-06
公開日2022-02-23
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.52 Å)
主引用文献Evaluating the impact of X-ray damage on conformational heterogeneity in room-temperature (277 K) and cryo-cooled protein crystals.
Acta Crystallogr D Struct Biol, 78, 2022
7LOR
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BU of 7lor by Molmil
X-ray radiation damage series on Lysozyme at 277K, multi-conformer model, dataset 3
分子名称: CHLORIDE ION, Lysozyme C, SODIUM ION
著者Yabukarski, F, Doukov, T, Herschlag, D.
登録日2021-02-10
公開日2022-02-23
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.52 Å)
主引用文献Evaluating the impact of X-ray damage on conformational heterogeneity in room-temperature (277 K) and cryo-cooled protein crystals.
Acta Crystallogr D Struct Biol, 78, 2022
7RLR
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BU of 7rlr by Molmil
Crystal Structure of K83A Mutant of Class D beta-lactamase from Clostridium difficile 630
分子名称: 1,2-ETHANEDIOL, ACETATE ION, Beta-lactamase, ...
著者Minasov, G, Shuvalova, L, Dubrovska, I, Rosas-Lemus, M, Jedrzejczak, R, Satchell, K.J.F, Center for Structural Genomics of Infectious Diseases (CSGID)
登録日2021-07-26
公開日2021-08-11
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.88 Å)
主引用文献Crystal Structure of K83A Mutant of Class D beta-lactamase from Clostridium difficile 630
To Be Published
7LD9
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BU of 7ld9 by Molmil
Structure of human GGT1 in complex with ABBA
分子名称: (2R)-2-amino-4-boronobutanoic acid, (2S)-2-amino-4-boronobutanoic acid, 2-acetamido-2-deoxy-beta-D-glucopyranose, ...
著者Terzyan, S.S, Hanigan, M.
登録日2021-01-12
公開日2022-02-23
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (1.42 Å)
主引用文献Design and evaluation of novel analogs of 2-amino-4-boronobutanoic acid (ABBA) as inhibitors of human gamma-glutamyl transpeptidase.
Bioorg.Med.Chem., 73, 2022
7LP6
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BU of 7lp6 by Molmil
X-ray radiation damage series on Lysozyme at 277K, multi-conformer model, dataset 2 (merged)
分子名称: CHLORIDE ION, Lysozyme C, SODIUM ION
著者Yabukarski, F, Doukov, T, Herschlag, D.
登録日2021-02-11
公開日2022-02-23
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.13 Å)
主引用文献Evaluating the impact of X-ray damage on conformational heterogeneity in room-temperature (277 K) and cryo-cooled protein crystals.
Acta Crystallogr D Struct Biol, 78, 2022
6ZT3
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BU of 6zt3 by Molmil
N-terminal 47 kDa fragment of the Mycobacterium smegmatis DNA Gyrase B subunit complexed with ADPNP
分子名称: 1,2-ETHANEDIOL, DNA gyrase subunit B, MAGNESIUM ION, ...
著者Feng, L, Mundy, J.E.A, Stevenson, C.E.M, Mitchenall, L.A, Lawson, D.M, Mi, K, Maxwell, A.
登録日2020-07-17
公開日2021-03-03
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.56 Å)
主引用文献The pentapeptide-repeat protein, MfpA, interacts with mycobacterial DNA gyrase as a DNA T-segment mimic.
Proc.Natl.Acad.Sci.USA, 118, 2021
7LY8
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BU of 7ly8 by Molmil
The internal aldimine form of the wild-type Salmonella Typhimurium Tryptophan Synthase in complex with two molecules of N-(4'-trifluoromethoxybenzoyl)-2-amino-1-ethylphosphate (F6F) inhibitor at the enzyme alpha-site, a single F6F molecule at the enzyme beta-site, and sodium ion at the metal coordination site at 1.55 Angstrom resolution. One of the beta-Q114 rotamer conformations allows a hydrogen bond to form with the PLP oxygen at the position 3 in the ring
分子名称: 1,2-ETHANEDIOL, 2-{[4-(TRIFLUOROMETHOXY)BENZOYL]AMINO}ETHYL DIHYDROGEN PHOSPHATE, CHLORIDE ION, ...
著者Hilario, E, Dunn, M.F, Mueller, L.J.
登録日2021-03-06
公開日2022-03-09
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.55 Å)
主引用文献The internal aldimine form of the wild-type Salmonella Typhimurium Tryptophan Synthase in complex with two molecules of N-(4'-trifluoromethoxybenzoyl)-2-amino-1-ethylphosphate (F6F) inhibitor at the enzyme alpha-site, a single F6F molecule at the enzyme beta-site, and sodium ion at the metal coordination site at 1.55 Angstrom resolution. One of the beta-Q114 rotamer conformations allows a hydrogen bond to form with the PLP oxygen at the position 3 in the ring.
To be Published
6I1O
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BU of 6i1o by Molmil
Fab fragment of an antibody selective for wild-type alpha-1-antitrypsin
分子名称: 2-[BIS-(2-HYDROXY-ETHYL)-AMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, FAB 2H2 heavy chain, FAB 2H2 light chain, ...
著者Laffranchi, M, Elliston, E.L.K, Miranda, E, Perez, J, Fra, A, Lomas, D.A, Irving, J.A.
登録日2018-10-29
公開日2019-11-20
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.93 Å)
主引用文献Intrahepatic heteropolymerization of M and Z alpha-1-antitrypsin.
JCI Insight, 5, 2020
8S6E
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BU of 8s6e by Molmil
Monoclonal antibody MenW targeting serogroup W of Neisseria meningitidis
分子名称: MenW.01 Heavy chain, MenW.01 Light chain, SODIUM ION
著者Pietri, G.P, Bertuzzi, S, Karnicar, K, Unione, L, Lisnic, B, Malic, S, Miklic, K, Novak, M, Calloni, I, Santini, L, Usenik, A, Rosaria Romano, M, Adamo, R, Jonjic, S, Turk, D, Jimenez-Barbero, J, Lenac Rovis, T.
登録日2024-02-27
公開日2024-06-26
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献Antigenic determinants driving serogroup-specific antibody response to Neisseria meningitidis C, W, and Y capsular polysaccharides: Insights for rational vaccine design.
Carbohydr Polym, 341, 2024

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件を2024-07-10に公開中

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