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6UKF
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BU of 6ukf by Molmil
HhaI endonuclease in Complex with DNA at 1 Angstrom Resolution
Descriptor: 1,2-ETHANEDIOL, ACETATE ION, CALCIUM ION, ...
Authors:Horton, J.R, Cheng, X.
Deposit date:2019-10-04
Release date:2019-12-18
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1 Å)
Cite:Structure of HhaI endonuclease with cognate DNA at an atomic resolution of 1.0 angstrom.
Nucleic Acids Res., 48, 2020
6ZAT
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BU of 6zat by Molmil
Nitrite-bound copper nitrite reductase from Bradyrhizobium sp. ORS 375 (two-domain) at 1.0 A resolution (unrestrained full matrix refinement by SHELX)
Descriptor: 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, COPPER (II) ION, Copper-containing nitrite reductase, ...
Authors:Rose, S.L, Antonyuk, S.V, Sasaki, D, Yamashita, K, Hirata, K, Ueno, G, Ago, H, Eady, R.R, Tosha, T, Yamamoto, M, Hasnain, S.S.
Deposit date:2020-06-05
Release date:2021-01-20
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1 Å)
Cite:An unprecedented insight into the catalytic mechanism of copper nitrite reductase from atomic-resolution and damage-free structures.
Sci Adv, 7, 2021
6I3B
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BU of 6i3b by Molmil
Crystal structure of cPizza6-AYW, a circularly permuted designer protein
Descriptor: cPizza6-AYW
Authors:Mylemans, B, Noguchi, H, Deridder, E, Voet, A.R.D.
Deposit date:2018-11-05
Release date:2019-11-20
Last modified:2024-05-15
Method:X-RAY DIFFRACTION (1 Å)
Cite:Influence of circular permutations on the structure and stability of a six-fold circular symmetric designer protein.
Protein Sci., 2020
3AJ4
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BU of 3aj4 by Molmil
Crystal structure of the PH domain of Evectin-2 from human complexed with O-phospho-L-serine
Descriptor: 1,2-ETHANEDIOL, PHOSPHOSERINE, Pleckstrin homology domain-containing family B member 2
Authors:Okazaki, S, Kato, R, Wakatsuki, S.
Deposit date:2010-05-21
Release date:2011-05-25
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (1 Å)
Cite:Intracellular phosphatidylserine is essential for retrograde membrane traffic through endosomes
Proc.Natl.Acad.Sci.USA, 108, 2011
1GVX
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BU of 1gvx by Molmil
Endothiapepsin complexed with H256
Descriptor: ENDOTHIAPEPSIN, INHIBITOR H256, SULFATE ION
Authors:Coates, L, Erskine, P.T, Crump, M.P, Wood, S.P, Cooper, J.B.
Deposit date:2002-02-27
Release date:2002-07-04
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (1 Å)
Cite:Five Atomic Resolution Structures of Endothiapepsin Inhibitor Complexes: Implications for the Aspartic Proteinase Mechanism
J.Mol.Biol., 318, 2002
3WH1
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BU of 3wh1 by Molmil
Crystal Structure of a Family GH19 Chitinase from Bryum coronatum in complex with (GlcNAc)4 at 1.0 A resolution
Descriptor: 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Chitinase A
Authors:Numata, T, Umemoto, N, Ohnuma, T, Fukamizo, T.
Deposit date:2013-08-21
Release date:2014-03-26
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (1 Å)
Cite:Crystal structure of a "loopless" GH19 chitinase in complex with chitin tetrasaccharide spanning the catalytic center.
Biochim.Biophys.Acta, 1844, 2014
6IFP
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BU of 6ifp by Molmil
X-ray Crystal Structure of Pseudoazurin Met16Ile Variant
Descriptor: COPPER (II) ION, Pseudoazurin
Authors:Sakai, C, Yamaguchi, T, Kohzuma, T.
Deposit date:2018-09-20
Release date:2019-09-25
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1 Å)
Cite:X-ray Crystal Structure of Pseudoazurin Met16Leu Variant
To Be Published
8DA5
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BU of 8da5 by Molmil
Coevolved affibody-Z domain pair LL1.c4
Descriptor: GLYCEROL, Immunoglobulin G-binding protein A, affibody LL1.FIVM
Authors:Jude, K.M, Yang, A, Garcia, K.C.
Deposit date:2022-06-13
Release date:2023-07-26
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1 Å)
Cite:Deploying synthetic coevolution and machine learning to engineer protein-protein interactions.
Science, 381, 2023
5MAE
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BU of 5mae by Molmil
CATHEPSIN L IN COMPLEX WITH (2S,4R)-4-(2-Chloro-4-methoxy-benzenesulfonyl)-1-[3-(5-chloro-pyridin-2-yl)-azetidine-3-carbonyl]-pyrrolidine-2-car boxylic acid (1-cyano-cyclopropyl)-amide
Descriptor: 1,2-ETHANEDIOL, Cathepsin L1, [4-[cyclopentyl(pyrazin-2-ylmethyl)amino]-6-morpholin-4-yl-1,3,5-triazin-2-yl]methylideneazanide
Authors:Kuglstatter, A, Stihle, M, Benz, J.
Deposit date:2016-11-03
Release date:2017-01-11
Last modified:2024-05-01
Method:X-RAY DIFFRACTION (1 Å)
Cite:Inhibition of the Cysteine Protease Human Cathepsin L by Triazine Nitriles: AmideHeteroarene pi-Stacking Interactions and Chalcogen Bonding in the S3 Pocket.
ChemMedChem, 12, 2017
5JIG
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BU of 5jig by Molmil
Crytsal structure of Wss1 from S. pombe
Descriptor: NICKEL (II) ION, OXYGEN MOLECULE, Ubiquitin and WLM domain-containing metalloprotease SPCC1442.07c
Authors:Groll, M, Stingele, J, Boulton, S.
Deposit date:2016-04-22
Release date:2016-11-09
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (1 Å)
Cite:Mechanism and Regulation of DNA-Protein Crosslink Repair by the DNA-Dependent Metalloprotease SPRTN.
Mol.Cell, 64, 2016
7QUA
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BU of 7qua by Molmil
Duplex RNA containing Xanthosine-Cytosine base pairs
Descriptor: MAGNESIUM ION, RNA (5'-R(*CP*GP*CP*GP*(XAN)P*AP*UP*UP*AP*GP*CP*G)-3'), SODIUM ION
Authors:Ennifar, E, Micura, R.
Deposit date:2022-01-17
Release date:2023-01-25
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (1 Å)
Cite:Towards a comprehensive understanding of RNA deamination: synthesis and properties of xanthosine-modified RNA.
Nucleic Acids Res., 50, 2022
7FR6
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BU of 7fr6 by Molmil
PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with Z2890147894
Descriptor: (azepan-1-yl)(2-hydroxy-3H-imidazo[4,5-b]pyridin-7-yl)methanone, Non-structural protein 3
Authors:Correy, G.J, Fraser, J.S.
Deposit date:2022-10-20
Release date:2022-11-09
Last modified:2024-05-22
Method:X-RAY DIFFRACTION (1 Å)
Cite:Ligand screen against SARS-CoV-2 NSP3 macrodomain
To be published
7FR5
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BU of 7fr5 by Molmil
PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with Z2890189003
Descriptor: 2-hydroxy-N-propyl-3H-imidazo[4,5-b]pyridine-7-carboxamide, Non-structural protein 3
Authors:Correy, G.J, Fraser, J.S.
Deposit date:2022-10-20
Release date:2022-11-09
Last modified:2024-05-22
Method:X-RAY DIFFRACTION (1 Å)
Cite:Ligand screen against SARS-CoV-2 NSP3 macrodomain
To be published
7FRA
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BU of 7fra by Molmil
PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with Z1343520564
Descriptor: 6-(azepane-1-sulfonyl)pyrido[2,3-d]pyrimidine-2,4(1H,3H)-dione, Non-structural protein 3
Authors:Correy, G.J, Fraser, J.S.
Deposit date:2022-10-20
Release date:2022-11-09
Last modified:2024-05-22
Method:X-RAY DIFFRACTION (1 Å)
Cite:Ligand screen against SARS-CoV-2 NSP3 macrodomain
To be published
7FR7
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BU of 7fr7 by Molmil
PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with Z431872694
Descriptor: 6-(azepane-1-carbonyl)pyrido[2,3-d]pyrimidine-2,4(1H,3H)-dione, Non-structural protein 3
Authors:Correy, G.J, Fraser, J.S.
Deposit date:2022-10-20
Release date:2022-11-09
Last modified:2024-05-22
Method:X-RAY DIFFRACTION (1 Å)
Cite:Ligand screen against SARS-CoV-2 NSP3 macrodomain
To be published
7FR8
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BU of 7fr8 by Molmil
PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with Z2890408258 - (R) isomer
Descriptor: (2-hydroxy-3H-imidazo[4,5-b]pyridin-7-yl)[(2R)-2-methylmorpholin-4-yl]methanone, Non-structural protein 3
Authors:Correy, G.J, Fraser, J.S.
Deposit date:2022-10-20
Release date:2022-11-09
Last modified:2024-05-22
Method:X-RAY DIFFRACTION (1 Å)
Cite:Ligand screen against SARS-CoV-2 NSP3 macrodomain
To be published
6RL9
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BU of 6rl9 by Molmil
Human Carbonic Anhydrase II in complex with 4-Aminobenzenesulfonamide
Descriptor: (4-CARBOXYPHENYL)(CHLORO)MERCURY, Carbonic anhydrase 2, MERCURY (II) ION, ...
Authors:Gloeckner, S, Heine, A, Klebe, G.
Deposit date:2019-05-01
Release date:2020-04-15
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1 Å)
Cite:The Influence of Varying Fluorination Patterns on the Thermodynamics and Kinetics of Benzenesulfonamide Binding to Human Carbonic Anhydrase II.
Biomolecules, 10, 2020
7FRB
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BU of 7frb by Molmil
PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with Z5551426009 - (S) isomer
Descriptor: 1-methyl-N-{(2S)-3-methyl-2-[(9H-purin-6-yl)amino]butyl}cyclobutane-1-carboxamide, Non-structural protein 3
Authors:Correy, G.J, Fraser, J.S.
Deposit date:2022-10-20
Release date:2022-11-09
Last modified:2024-05-22
Method:X-RAY DIFFRACTION (1 Å)
Cite:Ligand screen against SARS-CoV-2 NSP3 macrodomain
To be published
7FR4
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BU of 7fr4 by Molmil
PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with PTERA_A26A - (S) isomer
Descriptor: 2-cyclohexyl-N-{(2S)-1-[(7H-purin-6-yl)amino]butan-2-yl}acetamide, DIMETHYL SULFOXIDE, Non-structural protein 3
Authors:Correy, G.J, Fraser, J.S.
Deposit date:2022-10-20
Release date:2022-11-09
Last modified:2024-05-22
Method:X-RAY DIFFRACTION (1 Å)
Cite:Ligand screen against SARS-CoV-2 NSP3 macrodomain
To be published
7FR3
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BU of 7fr3 by Molmil
PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with PTERA_A01A - (S) isomer
Descriptor: 3-cyclohexyl-N-{(2S)-1-[(9H-purin-6-yl)amino]butan-2-yl}propanamide, Non-structural protein 3
Authors:Correy, G.J, Fraser, J.S.
Deposit date:2022-10-20
Release date:2022-11-09
Last modified:2024-05-22
Method:X-RAY DIFFRACTION (1 Å)
Cite:Ligand screen against SARS-CoV-2 NSP3 macrodomain
To be published
4GNR
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BU of 4gnr by Molmil
1.0 Angstrom resolution crystal structure of the branched-chain amino acid transporter substrate binding protein LivJ from Streptococcus pneumoniae str. Canada MDR_19A in complex with Isoleucine
Descriptor: ABC transporter substrate-binding protein-branched chain amino acid transport, CHLORIDE ION, ISOLEUCINE, ...
Authors:Halavaty, A.S, Kudritska, M, Wawrzak, Z, Stogios, P.J, Yim, V, Savchenko, A, Anderson, W.F, Center for Structural Genomics of Infectious Diseases (CSGID)
Deposit date:2012-08-17
Release date:2012-09-05
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (1 Å)
Cite:1.0 Angstrom resolution crystal structure of the branched-chain amino acid transporter substrate binding protein LivJ from Streptococcus pneumoniae str. Canada MDR_19A in complex with Isoleucine
To be Published
6UDR
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BU of 6udr by Molmil
S2 symmetric peptide design number 3 crystal form 1, Lurch
Descriptor: S2-3, Lurch crystal form 1
Authors:Mulligan, V.K, Kang, C.S, Antselovich, I, Sawaya, M.R, Yeates, T.O, Baker, D.
Deposit date:2019-09-19
Release date:2020-09-23
Last modified:2020-12-02
Method:X-RAY DIFFRACTION (1 Å)
Cite:Computational design of mixed chirality peptide macrocycles with internal symmetry.
Protein Sci., 29, 2020
7FR9
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BU of 7fr9 by Molmil
PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with Z1367095370
Descriptor: N-(1-methylcyclopropyl)-2,4-dioxo-1,2,3,4-tetrahydropyrido[2,3-d]pyrimidine-6-sulfonamide, Non-structural protein 3
Authors:Correy, G.J, Fraser, J.S.
Deposit date:2022-10-20
Release date:2022-11-09
Last modified:2024-05-22
Method:X-RAY DIFFRACTION (1 Å)
Cite:Ligand screen against SARS-CoV-2 NSP3 macrodomain
To be published
7FRC
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BU of 7frc by Molmil
PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with PTERA_A05 - (R) isomer
Descriptor: 3-cyclohexyl-N-{(2R)-2-[(1H-pyrazolo[3,4-d]pyrimidin-4-yl)amino]butyl}propanamide, Non-structural protein 3
Authors:Correy, G.J, Fraser, J.S.
Deposit date:2022-10-20
Release date:2022-11-09
Last modified:2024-05-22
Method:X-RAY DIFFRACTION (1 Å)
Cite:Ligand screen against SARS-CoV-2 NSP3 macrodomain
To be published
7FRD
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BU of 7frd by Molmil
PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with PTERA_A25A - (S) isomer
Descriptor: 3-phenyl-N-{(2S)-1-[(7H-purin-6-yl)amino]butan-2-yl}propanamide, Non-structural protein 3
Authors:Correy, G.J, Fraser, J.S.
Deposit date:2022-10-20
Release date:2022-11-09
Last modified:2024-05-22
Method:X-RAY DIFFRACTION (1 Å)
Cite:Ligand screen against SARS-CoV-2 NSP3 macrodomain
To be published

226262

数据于2024-10-16公开中

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