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8P58
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BU of 8p58 by Molmil
Crystal structure of the main protease (3CLpro/Mpro) of SARS-CoV-2 obtained in presence of 500 micromolar X77 enantiomer R.
Descriptor: 1,2-ETHANEDIOL, 3C-like proteinase nsp5, CHLORIDE ION, ...
Authors:Costanzi, E, Demitri, N, Storici, P.
Deposit date:2023-05-23
Release date:2024-05-01
Method:X-RAY DIFFRACTION (1.55 Å)
Cite:Unexpected Single-Ligand Occupancy and Negative Cooperativity in the SARS-CoV-2 Main Protease.
J.Chem.Inf.Model., 64, 2024
8P86
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BU of 8p86 by Molmil
Crystal structure of the main protease (3CLpro/Mpro) of SARS-CoV-2 obtained in presence of 5 mM MG-132, from an "old" crystal.
Descriptor: 1,2-ETHANEDIOL, 3C-like proteinase nsp5, CHLORIDE ION, ...
Authors:Costanzi, E, Demitri, N, Storici, P.
Deposit date:2023-05-31
Release date:2024-05-01
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Unexpected Single-Ligand Occupancy and Negative Cooperativity in the SARS-CoV-2 Main Protease.
J.Chem.Inf.Model., 64, 2024
7ZQK
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BU of 7zqk by Molmil
Crystal structure of photosynthetic glyceraldehyde-3-phosphate dehydrogenase from Chlamydomonas reinhardtii (CrGAPA) complexed with NAD+
Descriptor: Glyceraldehyde-3-phosphate dehydrogenase A, chloroplastic, NICOTINAMIDE-ADENINE-DINUCLEOTIDE, ...
Authors:Fermani, S, Zaffagnini, M, Lemaire, S.D, Falini, G, Fanti, S, Rossi, J.
Deposit date:2022-04-30
Release date:2022-07-20
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Structural snapshots of nitrosoglutathione binding and reactivity underlying S-nitrosylation of photosynthetic GAPDH.
Redox Biol, 54, 2022
7ZQ4
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BU of 7zq4 by Molmil
Crystal structure of photosynthetic glyceraldehyde-3-phosphate dehydrogenase from Chlamydomonas reinhardtii (CrGAPA) complexed with NADP+ and the oxidated catalytic cysteine
Descriptor: 1,2-ETHANEDIOL, GLYCEROL, Glyceraldehyde-3-phosphate dehydrogenase A, ...
Authors:Fermani, S, Zaffagnini, M, Lemaire, S.D, Falini, G, Fanti, S, Rossi, J.
Deposit date:2022-04-29
Release date:2022-07-20
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Structural snapshots of nitrosoglutathione binding and reactivity underlying S-nitrosylation of photosynthetic GAPDH.
Redox Biol, 54, 2022
7ZQ3
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BU of 7zq3 by Molmil
Crystal structure of photosynthetic glyceraldehyde-3-phosphate dehydrogenase from Chlamydomonas reinhardtii (CrGAPA) complexed with NADP+
Descriptor: Glyceraldehyde-3-phosphate dehydrogenase A, chloroplastic, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, ...
Authors:Fermani, S, Zaffagnini, M, Lemaire, S.D, Falini, G, Fanti, S, Rossi, J.
Deposit date:2022-04-29
Release date:2022-07-20
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Structural snapshots of nitrosoglutathione binding and reactivity underlying S-nitrosylation of photosynthetic GAPDH.
Redox Biol, 54, 2022
1QBO
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BU of 1qbo by Molmil
BOVINE TRYPSIN 7-[[6-[[1-(1-IMINOETHYL)PIPERIDIN-4-YL]OXY]-2-METHYL-BENZIMIDAZOL-1-YL]METHYL]NAPHTHALENE-2-CARBOXIMIDAMID ZK-806711 INHIBITOR COMPLEX
Descriptor: 7-[[6-[[1-(1-IMINOETHYL)PIPERIDIN-4-YL]OXY]-2-METHYL-BENZIMIDAZOL-1-YL]METHYL]NAPHTHALENE-2-CARBOXIMIDAMID, CALCIUM ION, PROTEIN (TRYPSIN)
Authors:Whitlow, M.
Deposit date:1999-04-26
Release date:2000-05-03
Last modified:2014-03-12
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Crystallographic analysis of potent and selective factor Xa inhibitors complexed to bovine trypsin.
Acta Crystallogr.,Sect.D, 55, 1999
6E62
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BU of 6e62 by Molmil
Crystal structure of malaria transmission-blocking antigen Pfs48/45 6C in complex with antibody 85RF45.1
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 85RF45.1 Fab heavy chain, 85RF45.1 Fab light chain, ...
Authors:Kundu, P, Semesi, A, Julien, J.P.
Deposit date:2018-07-23
Release date:2018-11-28
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Structural delineation of potent transmission-blocking epitope I on malaria antigen Pfs48/45.
Nat Commun, 9, 2018
6EDS
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BU of 6eds by Molmil
Structure of Cysteine-free Human Insulin-Degrading Enzyme in complex with Glucagon and Substrate-selective Macrocyclic Inhibitor 63
Descriptor: 1,4-DIETHYLENE DIOXIDE, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, DI(HYDROXYETHYL)ETHER, ...
Authors:Tan, G.A, Seeliger, M.A, Maianti, J.P, Liu, D.R, Welsh, A.J.
Deposit date:2018-08-10
Release date:2019-04-03
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (3.18071723 Å)
Cite:Substrate-selective inhibitors that reprogram the activity of insulin-degrading enzyme.
Nat.Chem.Biol., 15, 2019
6E65
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BU of 6e65 by Molmil
Crystal structure of malaria transmission-blocking antibody TB31F
Descriptor: TB31F Fab heavy chain, TB31F Fab light chain
Authors:Kundu, P, Semesi, A, Julien, J.P.
Deposit date:2018-07-23
Release date:2018-11-28
Last modified:2018-12-05
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Structural delineation of potent transmission-blocking epitope I on malaria antigen Pfs48/45.
Nat Commun, 9, 2018
6E64
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BU of 6e64 by Molmil
Crystal structure of malaria transmission-blocking antibody 85RF45.1
Descriptor: 85RF45.1 Fab heavy chain, 85RF45.1 Fab light chain
Authors:Kundu, P, Semesi, A, Julien, J.P.
Deposit date:2018-07-23
Release date:2018-11-28
Last modified:2018-12-05
Method:X-RAY DIFFRACTION (3.15 Å)
Cite:Structural delineation of potent transmission-blocking epitope I on malaria antigen Pfs48/45.
Nat Commun, 9, 2018
6E63
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BU of 6e63 by Molmil
Crystal structure of malaria transmission-blocking antigen Pfs48/45 6C in complex with antibody TB31F
Descriptor: GLYCEROL, Pf48/45, TB31F Fab heavy chain, ...
Authors:Kundu, P, Semesi, A, Julien, J.P.
Deposit date:2018-07-23
Release date:2018-11-28
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Structural delineation of potent transmission-blocking epitope I on malaria antigen Pfs48/45.
Nat Commun, 9, 2018
6UM5
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BU of 6um5 by Molmil
Cryo-EM structure of HIV-1 neutralizing antibody DH270 UCA3 in complex with CH848 10.17DT Env
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Acharya, P, Henderson, R.C, Saunders, K.O, Haynes, B.F.
Deposit date:2019-10-09
Release date:2019-12-18
Last modified:2020-07-29
Method:ELECTRON MICROSCOPY (4.2 Å)
Cite:Targeted selection of HIV-specific antibody mutations by engineering B cell maturation.
Science, 366, 2019
6EHN
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BU of 6ehn by Molmil
Structural insight into a promiscuous CE15 esterase from the marine bacterial metagenome
Descriptor: Carbohydrate esterase MZ0003, GLYCEROL
Authors:Helland, R, De Santi, C, Gani, O, Williamson, A.K.
Deposit date:2017-09-13
Release date:2018-03-21
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Structural insight into a CE15 esterase from the marine bacterial metagenome.
Sci Rep, 7, 2017
6UM6
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BU of 6um6 by Molmil
Cryo-EM structure of HIV-1 neutralizing antibody DH270.6 in complex with CH848 10.17DT Env
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-6)-2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Acharya, P, Henderson, R.C, Saunder, K.O, Haynes, B.F.
Deposit date:2019-10-09
Release date:2019-12-18
Last modified:2020-07-29
Method:ELECTRON MICROSCOPY (4.3 Å)
Cite:Targeted selection of HIV-specific antibody mutations by engineering B cell maturation.
Science, 366, 2019
6UM7
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BU of 6um7 by Molmil
Cryo-EM structure of vaccine-elicited HIV-1 neutralizing antibody DH270.mu1 in complex with CH848 10.17DT Env
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, DH270.mu1 Fab Heavy Chain, DH270.mu1 Fab Light chain, ...
Authors:Acharya, P, Henderson, R.C, Saunders, K, Haynes, B.F.
Deposit date:2019-10-09
Release date:2019-12-18
Last modified:2020-07-29
Method:ELECTRON MICROSCOPY (3.5 Å)
Cite:Targeted selection of HIV-specific antibody mutations by engineering B cell maturation.
Science, 366, 2019
4MM3
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BU of 4mm3 by Molmil
Crystal structure of SARS-CoV papain-like protease PLpro in complex with ubiquitin aldehyde
Descriptor: Papain-like proteinase, Ubiquitin, ZINC ION
Authors:Mesecar, A.D, Ratia, K.
Deposit date:2013-09-08
Release date:2014-07-02
Last modified:2017-11-15
Method:X-RAY DIFFRACTION (2.752 Å)
Cite:Structural Basis for the Ubiquitin-Linkage Specificity and deISGylating activity of SARS-CoV papain-like protease.
Plos Pathog., 10, 2014
3B18
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BU of 3b18 by Molmil
Rv0098 of Mycobacterium tuberculosis with ordered loop between beta-4 and beta-5
Descriptor: LAURIC ACID, Uncharacterized protein Rv0098/MT0107
Authors:Maity, K, Suguna, K.
Deposit date:2011-06-26
Release date:2012-06-06
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (2.75 Å)
Cite:Insights into the substrate specificity of a thioesterase Rv0098 of mycobacterium tuberculosis through X-ray crystallographic and molecular dynamics studies.
J.Biomol.Struct.Dyn., 29, 2012
4L8S
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BU of 4l8s by Molmil
Crystal structure of a human Valpha7.2/Vbeta13.3 MAIT TCR in complex with bovine MR1
Descriptor: Beta-2-microglobulin, MHC class I-related protein, Muccosal Associated Invariant T Cell Receptor alpha chain, ...
Authors:Lopez-Sagaseta, J, Adams, E.J.
Deposit date:2013-06-17
Release date:2013-10-16
Last modified:2017-08-23
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:MAIT Recognition of a Stimulatory Bacterial Antigen Bound to MR1.
J.Immunol., 191, 2013
4L9L
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BU of 4l9l by Molmil
Crystal structure of a human Valpha7.2/Vbeta13.2 MAIT TCR in complex with bovine MR1
Descriptor: Beta-2-microglobulin, MHC class I-related protein, Human MAIT TCR alpha chain, ...
Authors:Lopez-Sagaseta, J, Adams, E.J.
Deposit date:2013-06-18
Release date:2013-10-16
Last modified:2017-11-15
Method:X-RAY DIFFRACTION (3.4 Å)
Cite:MAIT Recognition of a Stimulatory Bacterial Antigen Bound to MR1.
J.Immunol., 191, 2013
4LCC
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BU of 4lcc by Molmil
Crystal structure of a human MAIT TCR in complex with a bacterial antigen bound to humanized bovine MR1
Descriptor: 1-deoxy-1-[6-(hydroxymethyl)-2,4-dioxo-3,4-dihydropteridin-8(2H)-yl]-D-arabinitol, Beta-2-microglobulin, MHC class I-related protein, ...
Authors:Lopez-Sagaseta, J, Adams, E.J.
Deposit date:2013-06-21
Release date:2013-10-16
Last modified:2018-01-24
Method:X-RAY DIFFRACTION (3.263 Å)
Cite:MAIT Recognition of a Stimulatory Bacterial Antigen Bound to MR1.
J.Immunol., 191, 2013
2P3U
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BU of 2p3u by Molmil
Crystal structure of human factor XA complexed with 3-chloro-N-(4-chloro-2-{[(5-chloropyridin-2-yl)amino]carbonyl}-6-methoxyphenyl)-4-[(1-methyl-1H-imidazol-2-yl)methyl]thiophene-2-carboxamide {Pfizer 320663}
Descriptor: 3-CHLORO-N-(4-CHLORO-2-{[(5-CHLOROPYRIDIN-2-YL)AMINO]CARBONYL}-6-METHOXYPHENYL)-4-[(1-METHYL-1H-IMIDAZOL-2-YL)METHYL]THIOPHENE-2-CARBOXAMIDE, CALCIUM ION, Coagulation factor X
Authors:Adler, M, Whitlow, M.
Deposit date:2007-03-09
Release date:2007-09-11
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (1.62 Å)
Cite:

8WMF
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BU of 8wmf by Molmil
Structure of the SARS-CoV-2 EG.5.1 spike glycoprotein (closed-1 state)
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:Nomai, T, Anraku, Y, Kita, S, Hashiguchi, T, Maenaka, K.
Deposit date:2023-10-03
Release date:2024-04-24
Last modified:2024-07-17
Method:ELECTRON MICROSCOPY (2.51 Å)
Cite:Virological characteristics of the SARS-CoV-2 Omicron EG.5.1 variant.
Microbiol Immunol, 2024
8WMD
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BU of 8wmd by Molmil
Structure of the SARS-CoV-2 EG.5.1 spike glycoprotein (closed-2 state)
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Spike glycoprotein
Authors:Nomai, T, Anraku, Y, Kita, S, Hashiguchi, T, Maenaka, K.
Deposit date:2023-10-03
Release date:2024-04-24
Last modified:2024-07-17
Method:ELECTRON MICROSCOPY (2.71 Å)
Cite:Virological characteristics of the SARS-CoV-2 Omicron EG.5.1 variant.
Microbiol Immunol, 2024
1UMN
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BU of 1umn by Molmil
Crystal structure of Dps-like peroxide resistance protein (Dpr) from Streptococcus suis
Descriptor: 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, CALCIUM ION, CHLORIDE ION, ...
Authors:Kauko, A, Haataja, S, Pulliainen, A, Finne, J, Papageorgiou, A.C.
Deposit date:2003-08-26
Release date:2004-04-23
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Crystal structure of Streptococcus suis Dps-like peroxide resistance protein Dpr: implications for iron incorporation.
J. Mol. Biol., 338, 2004
2P3T
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BU of 2p3t by Molmil
Crystal structure of human factor XA complexed with 3-Chloro-4-(2-methylamino-imidazol-1-ylmethyl)-thiophene-2-carboxylic acid [4-chloro-2-(5-chloro-pyridin-2-ylcarbamoyl)-6-methoxy-phenyl]-amide
Descriptor: 3-CHLORO-4-(2-METHYLAMINO-IMIDAZOL-1-YLMETHYL)-THIOPHENE-2-CARBOXYLIC ACID [4-CHLORO-2-(5-CHLORO-PYRIDIN-2-YLCARBAMOYL)-6-METHOXY-PHENYL]-AMIDE, CALCIUM ION, CHLORIDE ION, ...
Authors:Adler, M, Whitlow, M.
Deposit date:2007-03-09
Release date:2008-01-22
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (1.92 Å)
Cite:Thiophene-anthranilamides as highly potent and orally available factor xa inhibitors.
J.Med.Chem., 50, 2007

223790

數據於2024-08-14公開中

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