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6W8Y
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BU of 6w8y by Molmil
Co-crystal structures of CHIKV nsP3 macrodomain with pyrimidone fragments
分子名称: 2-oxo-2,3-dihydropyrimidine-4-carboxylic acid, Nonstructural polyprotein
著者Zhang, S, Garzan, A, Pathak, A.K, Augelli-Szafran, C.E, Wu, M.
登録日2020-03-21
公開日2021-01-13
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Pyrimidone inhibitors targeting Chikungunya Virus nsP3 macrodomain by fragment-based drug design.
Plos One, 16, 2021
6W9C
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The crystal structure of papain-like protease of SARS CoV-2
分子名称: CHLORIDE ION, Non-structural protein 3, ZINC ION
著者Osipiuk, J, Jedrzejczak, R, Tesar, C, Endres, M, Stols, L, Babnigg, G, Kim, Y, Michalska, K, Joachimiak, A, Center for Structural Genomics of Infectious Diseases (CSGID)
登録日2020-03-22
公開日2020-04-01
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献The crystal structure of papain-like protease of SARS CoV-2
to be published
6W8Z
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BU of 6w8z by Molmil
Co-crystal structures of CHIKV nsP3 macrodomain with pyrimidone fragments
分子名称: Nonstructural polyprotein, methyl 2-oxo-1,2-dihydroquinazoline-4-carboxylate
著者Zhang, S, Garzan, A, Pathak, A.K, Augelli-Szafran, C.E, Wu, M.
登録日2020-03-21
公開日2021-01-13
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Pyrimidone inhibitors targeting Chikungunya Virus nsP3 macrodomain by fragment-based drug design.
Plos One, 16, 2021
6W91
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Co-crystal structures of CHIKV nsP3 macrodomain with pyrimidone fragments
分子名称: Nonstructural polyprotein, methyl 2-oxo-2,5-dihydropyrimidine-4-carboxylate
著者Zhang, S, Garzan, A, Pathak, A.K, Augelli-Szafran, C.E, Wu, M.
登録日2020-03-21
公開日2021-01-13
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.21 Å)
主引用文献Pyrimidone inhibitors targeting Chikungunya Virus nsP3 macrodomain by fragment-based drug design.
Plos One, 16, 2021
6VQ2
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BU of 6vq2 by Molmil
HLA-B*27:05 presenting an HIV-1 14mer peptide
分子名称: 14-mer peptide, Beta-2-microglobulin, GLYCEROL, ...
著者Pymm, P, Tenzer, S, Wee, E, Weimershaus, M, Burgevin, A, Kollnberger, S, Gerstoft, J, Josephs, T.M, Ladell, K, Mclaren, J.E, Appay, V, Price, D.A, Fugger, L, Bell, J.I, Hansjorg, S, Van Endert, P, Harkiolaki, M, Iversen, A.K.N.
登録日2020-02-04
公開日2021-02-10
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.25 Å)
主引用文献Epitope length variants balance protective immune responses and viral escape in HIV-1 infection
Cell Rep, 38, 2022
6VQD
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BU of 6vqd by Molmil
HLA-B*27:05 presenting an HIV-1 8mer peptide
分子名称: 8-mer peptide, Beta-2-microglobulin, GLYCEROL, ...
著者Pymm, P, Tenzer, S, Wee, E, Weimershaus, M, Burgevin, A, Kollnberger, S, Gerstoft, J, Josephs, T.M, Ladell, K, Mclaren, J.E, Appay, V, Price, D.A, Fugger, L, Bell, J.I, Hansjorg, S, Van Endert, P, Harkiolaki, M, Iversen, A.K.N.
登録日2020-02-05
公開日2021-02-10
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.88 Å)
主引用文献Epitope length variants balance protective immune responses and viral escape in HIV-1 infection
Cell Rep, 38, 2022
6VQE
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BU of 6vqe by Molmil
HLA-B*27:05 presenting an HIV-1 13mer peptide
分子名称: 13-mer peptide, Beta-2-microglobulin, GLYCEROL, ...
著者Pymm, P, Tenzer, S, Wee, E, Weimershaus, M, Burgevin, A, Kollnberger, S, Gerstoft, J, Josephs, T.M, Ladell, K, Mclaren, J.E, Appay, V, Price, D.A, Fugger, L, Bell, J.I, Hansjorg, S, Van Endert, P, Harkiolaki, M, Iversen, A.K.N.
登録日2020-02-05
公開日2021-02-10
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.77 Å)
主引用文献Epitope length variants balance protective immune responses and viral escape in HIV-1 infection
Cell Rep, 38, 2022
6VQY
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BU of 6vqy by Molmil
HLA-B*27:05 presenting an HIV-1 7mer peptide
分子名称: 7-mer peptide, ARGININE, Beta-2-microglobulin, ...
著者Pymm, P, Tenzer, S, Wee, E, Weimershaus, M, Burgevin, A, Kollnberger, S, Gerstoft, J, Josephs, T.M, Ladell, K, Mclaren, J.E, Appay, V, Price, D.A, Fugger, L, Bell, J.I, Hansjorg, S, Van Endert, P, Harkiolaki, M, Iversen, A.K.N.
登録日2020-02-06
公開日2021-02-10
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.57 Å)
主引用文献Epitope length variants balance protective immune responses and viral escape in HIV-1 infection
Cell Rep, 38, 2022
7TVI
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BU of 7tvi by Molmil
Alpha1/BetaB Heteromeric Glycine Receptor in Glycine-Bound State
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, GLYCINE, Glycine receptor beta subunit 2, ...
著者Gibbs, E, Chakrapani, S, Kumar, A.
登録日2022-02-04
公開日2023-03-22
実験手法ELECTRON MICROSCOPY (3.2 Å)
主引用文献Conformational transitions and allosteric modulation in a heteromeric glycine receptor
Nat Commun, 14, 2023
7TU9
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Alpha1/BetaB Heteromeric Glycine Receptor in Strychnine-Bound State
分子名称: 1,2-DIMYRISTOYL-SN-GLYCERO-3-PHOSPHOCHOLINE, 2-acetamido-2-deoxy-beta-D-glucopyranose, Glycine receptor beta subunit 2, ...
著者Gibbs, E, Kumar, A, Chakrapani, S.
登録日2022-02-02
公開日2023-03-22
実験手法ELECTRON MICROSCOPY (3 Å)
主引用文献Conformational transitions and allosteric modulation in a heteromeric glycine receptor
Nat Commun, 14, 2023
6VQZ
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BU of 6vqz by Molmil
HLA-B*27:05 presenting an HIV-1 6mer peptide
分子名称: 6-mer peptide, ARGININE, Beta-2-microglobulin, ...
著者Pymm, P, Tenzer, S, Wee, E, Weimershaus, M, Burgevin, A, Kollnberger, S, Gerstoft, J, Josephs, T.M, Ladell, K, Mclaren, J.E, Appay, V, Price, D.A, Fugger, L, Bell, J.I, Hansjorg, S, Van Endert, P, Harkiolaki, M, Iversen, A.K.N.
登録日2020-02-06
公開日2021-02-10
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.25 Å)
主引用文献Epitope length variants balance protective immune responses and viral escape in HIV-1 infection
Cell Rep, 38, 2022
6VPZ
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BU of 6vpz by Molmil
HLA-B*27:05 presenting an HIV-1 11mer peptide
分子名称: 11-mer peptide, Beta-2-microglobulin, GLYCEROL, ...
著者Pymm, P, Tenzer, S, Wee, E, Weimershaus, M, Burgevin, A, Kollnberger, S, Gerstoft, J, Josephs, T.M, Ladell, K, Mclaren, J.E, Appay, V, Price, D.A, Fugger, L, Bell, J.I, Hansjorg, S, Van Endert, P, Harkiolaki, M, Iversen, A.K.N.
登録日2020-02-04
公開日2021-02-10
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Epitope length variants balance protective immune responses and viral escape in HIV-1 infection
Cell Rep, 38, 2022
6VR0
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BU of 6vr0 by Molmil
Agrobacterium Tumefaciens ADP-glucose pyrophosphorylase W106A
分子名称: GLYCEROL, Glucose-1-phosphate adenylyltransferase, SULFATE ION
著者Mascarenhas, R.N, Liu, D, Ballicora, M, Iglesias, A, Asencion, M, Figueroa, C.
登録日2020-02-06
公開日2021-02-17
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Agrobacterium Tumefaciens ADP-glucose pyrophosphorylase W106A
To Be Published
7THG
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BU of 7thg by Molmil
Crystal Structure Of Human NADH-Cytochrome B5 Reductase
分子名称: FLAVIN-ADENINE DINUCLEOTIDE, NADH-cytochrome b5 reductase 3 soluble form
著者Zheng, A, Thibodeau, P.H.
登録日2022-01-10
公開日2023-04-12
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (2.9 Å)
主引用文献Structure Of wild-type Human NADH-Cytochrome B5 Reductase and mutants
to be published
4MYO
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BU of 4myo by Molmil
Crystal structure of streptogramin group A antibiotic acetyltransferase VatA from Staphylococcus aureus
分子名称: CHLORIDE ION, MAGNESIUM ION, SULFATE ION, ...
著者Stogios, P.J, Minasov, G, Dong, A, Evdokimova, E, Yim, V, Krishnamoorthy, M, Di Leo, R, Courvalin, P, Savchenko, A, Anderson, W.F, Center for Structural Genomics of Infectious Diseases (CSGID)
登録日2013-09-27
公開日2013-10-16
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2.696 Å)
主引用文献Potential for Reduction of Streptogramin A Resistance Revealed by Structural Analysis of Acetyltransferase VatA.
Antimicrob.Agents Chemother., 58, 2014
7TNV
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BU of 7tnv by Molmil
Crystal Structure Of Human NADH-Cytochrome B5 Reductase T117S Mutant
分子名称: FLAVIN-ADENINE DINUCLEOTIDE, NADH-cytochrome b5 reductase 3 soluble form
著者Zheng, A, Thibodeau, P.H.
登録日2022-01-21
公開日2023-04-12
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (1.93 Å)
主引用文献Structure Of wild-type Human NADH-Cytochrome B5 Reductase and mutants
to be published
1U4S
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BU of 1u4s by Molmil
Plasmodium falciparum lactate dehydrogenase complexed with 2,6-naphthalenedisulphonic acid
分子名称: L-lactate dehydrogenase, NAPHTHALENE-2,6-DISULFONIC ACID
著者Conners, R, Cameron, A, Read, J, Schambach, F, Sessions, R.B, Brady, R.L.
登録日2004-07-26
公開日2005-06-21
最終更新日2023-08-23
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Mapping the binding site for gossypol-like inhibitors of Plasmodium falciparum lactate dehydrogenase.
Mol.Biochem.Parasitol., 142, 2005
7U4A
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BU of 7u4a by Molmil
Crystal Structure of Zika virus xrRNA1 mutant
分子名称: MAGNESIUM ION, RNA (70-MER)
著者Thompson, R.D, Carbaugh, D.L, Nielsen, J.R, Witt, C, Meganck, R.M, Rangadurai, A, Zhao, B, Bonin, J.P, Nathan, N.T, Marzluff, W.F, Frank, A.T, Lazear, H.M, Zhang, Q.
登録日2022-02-28
公開日2023-09-06
実験手法X-RAY DIFFRACTION (3.15 Å)
主引用文献Dynamic Basis of Xrn1 Resistance in Mosquito-borne Flavivirus RNA
To Be Published
2N65
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BU of 2n65 by Molmil
Disulphide linked homodimer of designed antimicrobial peptide VG16KRKP
分子名称: antimicrobial peptide VG16KRKP
著者Datta, A, Bhunia, A.
登録日2015-08-12
公開日2016-03-23
最終更新日2023-06-14
実験手法SOLUTION NMR
主引用文献Designing potent antimicrobial peptides by disulphide linked dimerization and N-terminal lipidation to increase antimicrobial activity and membrane perturbation: Structural insights into lipopolysaccharide binding.
J Colloid Interface Sci, 461, 2016
6W6Q
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BU of 6w6q by Molmil
WT HTLV-1 Protease in Complex with Darunavir (DRV)
分子名称: (3R,3AS,6AR)-HEXAHYDROFURO[2,3-B]FURAN-3-YL(1S,2R)-3-[[(4-AMINOPHENYL)SULFONYL](ISOBUTYL)AMINO]-1-BENZYL-2-HYDROXYPROPYLCARBAMATE, HTLV-1 Protease
著者Lockbaum, G.J, Henes, M, Kosovrasti, K, Nalivaika, E.A, Ali, A, KurtYilmaz, N, Schiffer, C.A.
登録日2020-03-17
公開日2021-03-17
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献To Be Determined
To Be Published
2MSG
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BU of 2msg by Molmil
Solid-state NMR structure of ubiquitin
分子名称: Ubiquitin
著者Lakomek, N, Habenstein, B, Loquet, A, Shi, C, Giller, K, Wolff, S, Becker, S, Fasshuber, H, Lange, A.
登録日2014-08-04
公開日2015-02-18
最終更新日2024-05-15
実験手法SOLID-STATE NMR
主引用文献Structural heterogeneity in microcrystalline ubiquitin studied by solid-state NMR.
Protein Sci., 24, 2015
6W6T
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BU of 6w6t by Molmil
WT HIV-1 Protease in Complex with Phosphonated UMass6 (PU6)
分子名称: Protease, SULFATE ION, diethyl [(4-{(2S,3R)-4-{[(4-aminophenyl)sulfonyl](2-ethylbutyl)amino}-2-[({[(3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-yl]oxy}carbonyl)amino]-3-hydroxybutyl}phenoxy)methyl]phosphonate
著者Lockbaum, G.J, Henes, M, Kosovrasti, K, Nalivaika, E.A, Ali, A, KurtYilmaz, N, Schiffer, C.A.
登録日2020-03-17
公開日2021-03-17
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.84 Å)
主引用文献To Be Determined
To Be Published
6W6R
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BU of 6w6r by Molmil
WT HTLV-1 Protease in Complex with UMass6 (UM6)
分子名称: (3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-yl [(1S,2R)-3-{[(4-aminophenyl)sulfonyl](2-ethylbutyl)amino}-1-benzyl-2-hydroxypropyl]carbamate, HTLV-1 Protease
著者Lockbaum, G.J, Henes, M, Kosovrasti, K, Nalivaika, E.A, Ali, A, KurtYilmaz, N, Schiffer, C.A.
登録日2020-03-17
公開日2021-03-17
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.05 Å)
主引用文献To Be Determined
To Be Published
6W6S
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BU of 6w6s by Molmil
WT HTLV-1 Protease in Complex with Phosphonated UMass6 (PU6)
分子名称: HTLV-1 Protease, diethyl [(4-{(2S,3R)-4-{[(4-aminophenyl)sulfonyl](2-ethylbutyl)amino}-2-[({[(3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-yl]oxy}carbonyl)amino]-3-hydroxybutyl}phenoxy)methyl]phosphonate
著者Lockbaum, G.J, Henes, M, Kosovrasti, K, Nalivaika, E.A, Ali, A, KurtYilmaz, N, Schiffer, C.A.
登録日2020-03-17
公開日2021-03-17
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.29 Å)
主引用文献To Be Determined
To Be Published
6W4N
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BU of 6w4n by Molmil
Co-crystal structure of Pd_dinase with probe glycine-propargylglycine-AOMK
分子名称: 2-azanyl-~{N}-[(3~{S})-2-oxidanylidenehex-5-yn-3-yl]ethanamide, Aminopeptidase, POTASSIUM ION
著者Xu, J.H, Solania, A, Wolan, D.W.
登録日2020-03-11
公開日2021-03-17
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.623 Å)
主引用文献Co-crystal structure of Pd_dinase with probe glycine-propargylglycine-AOMK
To Be Published

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