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7B83
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BU of 7b83 by Molmil
Structure of SARS-CoV-2 Main Protease bound to pyrithione zinc
Descriptor: 3C-like proteinase, 9-oxa-7-thia-1-azonia-8$l^{2}-zincabicyclo[4.3.0]nona-1,3,5-triene, CHLORIDE ION, ...
Authors:Guenther, S, Reinke, P, Oberthuer, D, Yefanov, O, Gelisio, L, Ginn, H, Lieske, J, Domaracky, M, Brehm, W, Rahmani Mashour, A, White, T.A, Knoska, J, Pena Esperanza, G, Koua, F, Tolstikova, A, Groessler, M, Fischer, P, Hennicke, V, Fleckenstein, H, Trost, F, Galchenkova, M, Gevorkov, Y, Li, C, Awel, S, Paulraj, L.X, Ullah, N, Falke, S, Alves Franca, B, Schwinzer, M, Brognaro, H, Werner, N, Perbandt, M, Tidow, H, Seychell, B, Beck, T, Meier, S, Doyle, J.J, Giseler, H, Melo, D, Dunkel, I, Lane, T.J, Peck, A, Saouane, S, Hakanpaeae, J, Meyer, J, Noei, H, Gribbon, P, Ellinger, B, Kuzikov, M, Wolf, M, Zhang, L, Ehrt, C, Pletzer-Zelgert, J, Wollenhaupt, J, Feiler, C, Weiss, M, Schulz, E.C, Mehrabi, P, Norton-Baker, B, Schmidt, C, Lorenzen, K, Schubert, R, Han, H, Chari, A, Fernandez Garcia, Y, Turk, D, Hilgenfeld, R, Rarey, M, Zaliani, A, Chapman, H.N, Pearson, A, Betzel, C, Meents, A.
Deposit date:2020-12-12
Release date:2021-01-13
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:X-ray screening identifies active site and allosteric inhibitors of SARS-CoV-2 main protease.
Science, 372, 2021
2ENR
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BU of 2enr by Molmil
CO-CRYSTALS OF DEMETALLIZED CONCANAVALIN A WITH CADMIUM HAVING A CADMIUM ION BOUND IN BOTH THE S1 SITE AND THE S2 SITE
Descriptor: CADMIUM ION, CONCANAVALIN A
Authors:Bouckaert, J, Loris, R, Wyns, L.
Deposit date:1998-07-14
Release date:1999-02-16
Last modified:2024-05-22
Method:X-RAY DIFFRACTION (2.35 Å)
Cite:Zinc/calcium- and cadmium/cadmium-substituted concanavalin A: interplay of metal binding, pH and molecular packing.
Acta Crystallogr.,Sect.D, 56, 2000
2JI4
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BU of 2ji4 by Molmil
Human phosphoribosylpyrophosphate synthetase - associated protein 41 (PAP41)
Descriptor: CHLORIDE ION, PHOSPHORIBOSYL PYROPHOSPHATE SYNTHETASE-ASSOCIATED PROTEIN 2
Authors:Moche, M, Lehtio, L, Arrowsmith, C, Berglund, H, Busam, R, Collins, R, Dahlgren, L.G, Edwards, A, Flodin, S, Flores, A, Graslund, S, Hammarstrom, M, Hallberg, B.M, Holmberg-Schiavone, L, Johansson, I, Karlberg, T, Kotenyova, T, Nyman, T, Ogg, D, Persson, C, Sagemark, J, Stenmark, P, Sundstrom, M, Thorsell, A.G, Van Den Berg, S, Weigelt, J, Nordlund, P.
Deposit date:2007-02-26
Release date:2007-03-06
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (2.55 Å)
Cite:Human Phosphoribosylpyrophosphate Synthetase -Associated Protein 41 (Pap41)
To be Published
2BK6
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BU of 2bk6 by Molmil
The X-ray crystal structure of the Listeria innocua H31G Dps mutant.
Descriptor: NON-HEME IRON-CONTAINING FERRITIN
Authors:Ilari, A, Latella, M.C, Ribacchi, F, Su, M, Giangiacomo, L, Stefanini, S, Chasteen, N.D, Chiancone, E.
Deposit date:2005-02-11
Release date:2005-02-14
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (2.19 Å)
Cite:The unusual intersubunit ferroxidase center of Listeria innocua Dps is required for hydrogen peroxide detoxification but not for iron uptake. A study with site-specific mutants.
Biochemistry, 44, 2005
7AXS
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BU of 7axs by Molmil
Structural characterisation of WDR5:CS-VIP8 interaction in cis state 1
Descriptor: CS-VIP8, (ALQ)(4FO)R(ABA)(DPN)(EDN)(S7Z), WD repeat-containing protein 5
Authors:Werel, L, Essen, L.-O.
Deposit date:2020-11-10
Release date:2021-12-15
Last modified:2024-07-10
Method:X-RAY DIFFRACTION (1.88 Å)
Cite:Bistable Photoswitch Allows in Vivo Control of Hematopoiesis.
Acs Cent.Sci., 8, 2022
1ZDI
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BU of 1zdi by Molmil
RNA BACTERIOPHAGE MS2 COAT PROTEIN/RNA COMPLEX
Descriptor: PROTEIN (RNA BACTERIOPHAGE MS2 COAT PROTEIN), RNA (5'-R(*AP*CP*AP*UP*GP*AP*GP*GP*AP*UP*UP*AP*CP*CP*CP*AP*U P*GP*U)-3')
Authors:Valegard, K, Van Den Worm, S, Liljas, L.
Deposit date:1996-09-24
Release date:1997-04-21
Last modified:2023-04-19
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:The three-dimensional structures of two complexes between recombinant MS2 capsids and RNA operator fragments reveal sequence-specific protein-RNA interactions.
J.Mol.Biol., 270, 1997
5K51
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BU of 5k51 by Molmil
Trypanosome brucei Hypoxanthine-guanine phosphoribosyltranferase in complex with a 9-[5-(phosphonoheptyl]hypoxanthine
Descriptor: 5-(6-oxidanylidene-3~{H}-purin-9-yl)pentylphosphonic acid, Hypoxanthine-guanine phosphoribosyltransferase
Authors:Teran, D, Guddat, L.
Deposit date:2016-05-22
Release date:2016-11-09
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.956 Å)
Cite:Crystal structures and inhibition of Trypanosoma brucei hypoxanthine-guanine phosphoribosyltransferase.
Sci Rep, 6, 2016
6SZJ
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BU of 6szj by Molmil
RIP2 Kinase Catalytic Domain complex with 5amino1tertbutyl3(3methoxyphenyl)1H pyrazole4carboxamide.
Descriptor: 5-amino-1-~{tert}-butyl-3-(3-methoxyphenyl)pyrazole-4-carboxamide, CALCIUM ION, Receptor-interacting serine/threonine-protein kinase 2
Authors:Convery, M.A, Charnley, A.K, Shewchuk, L.
Deposit date:2019-10-02
Release date:2019-12-04
Last modified:2024-05-15
Method:X-RAY DIFFRACTION (2.53 Å)
Cite:Discovery of Pyrazolocarboxamides as Potent and Selective Receptor Interacting Protein 2 (RIP2) Kinase Inhibitors.
Acs Med.Chem.Lett., 10, 2019
2KBQ
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BU of 2kbq by Molmil
Solution structure of harmonin N terminal domain
Descriptor: Harmonin
Authors:Zhang, M, Pan, L, Yan, J, Wu, L.
Deposit date:2008-12-05
Release date:2009-03-31
Last modified:2024-05-29
Method:SOLUTION NMR
Cite:Assembling stable hair cell tip link complex via multidentate interactions between harmonin and cadherin 23
Proc.Natl.Acad.Sci.USA, 106, 2009
2HAP
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BU of 2hap by Molmil
STRUCTURE OF A HAP1-18/DNA COMPLEX REVEALS THAT PROTEIN/DNA INTERACTIONS CAN HAVE DIRECT ALLOSTERIC EFFECTS ON TRANSCRIPTIONAL ACTIVATION
Descriptor: DNA (5'-D(*AP*CP*GP*CP*TP*AP*TP*TP*AP*TP*CP*GP*CP*TP*AP*TP*TP*AP*GP*T)-3'), DNA (5'-D(*AP*CP*TP*AP*AP*TP*AP*GP*CP*GP*AP*TP*AP*AP*TP*AP*GP*CP*GP*T)-3'), PROTEIN (HEME ACTIVATOR PROTEIN), ...
Authors:King, D.A, Zhang, L, Guarente, L, Marmorstein, R.
Deposit date:1998-09-17
Release date:1999-11-10
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Structure of HAP1-18-DNA implicates direct allosteric effect of protein-DNA interactions on transcriptional activation.
Nat.Struct.Biol., 6, 1999
7CDI
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BU of 7cdi by Molmil
Crystal structure of SARS-CoV-2 antibody P2C-1F11 with RBD
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Spike protein S1, antibody P2C-1F11 heavy chain, ...
Authors:Wang, X, Zhang, L, Ge, J, Wang, R.
Deposit date:2020-06-19
Release date:2020-11-18
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.96 Å)
Cite:Antibody neutralization of SARS-CoV-2 through ACE2 receptor mimicry.
Nat Commun, 12, 2021
6SLL
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BU of 6sll by Molmil
Diaminobutyrate acetyltransferase EctA from Paenibacillus lautus in complex with its substrate L-2,4-diaminobutyric acid (DAB) and coenzyme A
Descriptor: 2,4-DIAMINOBUTYRIC ACID, COENZYME A, L-2,4-diaminobutyric acid acetyltransferase, ...
Authors:Richter, A.A, Kobus, S, Czech, L, Hoeppner, A, Bremer, E, Smits, S.H.J.
Deposit date:2019-08-20
Release date:2020-01-29
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.2 Å)
Cite:The architecture of the diaminobutyrate acetyltransferase active site provides mechanistic insight into the biosynthesis of the chemical chaperone ectoine.
J.Biol.Chem., 295, 2020
3K1W
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BU of 3k1w by Molmil
New Classes of Potent and Bioavailable Human Renin Inhibitors
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetylamino-2-deoxy-alpha-L-idopyranose, 4-{4-[3-(2-bromo-5-fluorophenoxy)propyl]phenyl}-N-(2-chlorobenzyl)-N-cyclopropyl-1,2,5,6-tetrahydropyridine-3-carboxamide, ...
Authors:Prade, L.
Deposit date:2009-09-29
Release date:2010-03-02
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:New classes of potent and bioavailable human renin inhibitors
Bioorg.Med.Chem.Lett., 19, 2009
4RIL
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BU of 4ril by Molmil
Structure of the amyloid forming segment, GAVVTGVTAVA, from the NAC domain of Parkinson's disease protein alpha-synuclein, residues 68-78, determined by electron diffraction
Descriptor: Alpha-synuclein
Authors:Rodriguez, J.A, Ivanova, M, Sawaya, M.R, Cascio, D, Reyes, F, Shi, D, Johnson, L, Guenther, E, Sangwan, S, Hattne, J, Nannenga, B, Brewster, A.S, Messerschmidt, M, Boutet, S, Sauter, N.K, Gonen, T, Eisenberg, D.S.
Deposit date:2014-10-06
Release date:2015-08-26
Last modified:2023-09-20
Method:ELECTRON CRYSTALLOGRAPHY (1.43 Å)
Cite:Structure of the toxic core of alpha-synuclein from invisible crystals.
Nature, 525, 2015
7CDJ
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BU of 7cdj by Molmil
Crystal structure of SARS-CoV-2 antibody P2C-1A3 with RBD
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Spike protein S1, antibody P2C-1A3 heavy chain, ...
Authors:Wang, X, Zhang, L, Ge, J, Wang, R.
Deposit date:2020-06-19
Release date:2020-11-18
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (3.396 Å)
Cite:Antibody neutralization of SARS-CoV-2 through ACE2 receptor mimicry.
Nat Commun, 12, 2021
5JJU
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BU of 5jju by Molmil
Crystal structure of Rv2837c complexed with 5'-pApA and 5'-AMP
Descriptor: ADENOSINE MONOPHOSPHATE, MANGANESE (II) ION, RNA (5'-R(P*AP*A)-3'), ...
Authors:Wang, F, He, Q, Liu, S, Gu, L.
Deposit date:2016-04-25
Release date:2016-05-04
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (2.312 Å)
Cite:Structural and biochemical insight into the mechanism of Rv2837c from Mycobacterium tuberculosis as a c-di-NMP phosphodiesterase
J.Biol.Chem., 291, 2016
1XHO
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BU of 1xho by Molmil
Chorismate mutase from Clostridium thermocellum Cth-682
Descriptor: Chorismate mutase, UNKNOWN ATOM OR ION
Authors:Xu, H, Chen, L, Lee, D, Habel, J.E, Nguyen, J, Chang, S.-H, Kataeva, I, Chang, J, Zhao, M, Yang, H, Horanyi, P, Florence, Q, Tempel, W, Zhou, W, Lin, D, Zhang, H, Praissman, J, Arendall III, W.B, Richardson, J.S, Richardson, D.C, Ljungdahl, L, Liu, Z.-J, Rose, J.P, Wang, B.-C, Southeast Collaboratory for Structural Genomics (SECSG)
Deposit date:2004-09-20
Release date:2004-11-23
Last modified:2017-10-11
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Away from the edge II: in-house Se-SAS phasing with chromium radiation.
Acta Crystallogr.,Sect.D, 61, 2005
2KBS
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BU of 2kbs by Molmil
Solution structure of harmonin PDZ2 in complex with the carboxyl tail peptide of cadherin23
Descriptor: Harmonin, octameric peptide from Cadherin-23
Authors:Pan, L, Yan, J, Wu, L, Zhang, M.
Deposit date:2008-12-05
Release date:2009-03-31
Last modified:2024-05-29
Method:SOLUTION NMR
Cite:Assembling stable hair cell tip link complex via multidentate interactions between harmonin and cadherin 23
Proc.Natl.Acad.Sci.USA, 106, 2009
7CWS
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BU of 7cws by Molmil
SARS-CoV-2 Spike Proteins Trimer in Complex with FC05 and H014 Fabs Cocktail
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Heavy Chain of FC05 Fab, ...
Authors:Wang, L, Wang, X.
Deposit date:2020-08-31
Release date:2020-12-16
Last modified:2021-01-13
Method:ELECTRON MICROSCOPY (3.4 Å)
Cite:Structure-based development of human antibody cocktails against SARS-CoV-2.
Cell Res., 31, 2021
6TE3
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BU of 6te3 by Molmil
Crystal Structure of full-length Human Lysyl Hydroxylase LH3 - Cocrystal with Fe2+, Mn2+, UDP
Descriptor: 2-OXOGLUTARIC ACID, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Chiapparino, A, De Giorgi, F, Scietti, L, Faravelli, S, Roscioli, T, Forneris, F.
Deposit date:2019-11-11
Release date:2021-05-19
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Identification of Regulatory Molecular 'Hot Spots' for LH/PLOD Collagen Glycosyltransferase Activity
Int J Mol Sci, 2023
6TEC
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BU of 6tec by Molmil
Crystal Structure of full-length Human Lysyl Hydroxylase LH3 - Cocrystal with Fe2+, Mn2+, UDP-Xylose
Descriptor: 1,2-ETHANEDIOL, 2-OXOGLUTARIC ACID, 2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Chiapparino, A, De Giorgi, F, Scietti, L, Faravelli, S, Roscioli, T, Forneris, F.
Deposit date:2019-11-11
Release date:2021-05-19
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Identification of Regulatory Molecular 'Hot Spots' for LH/PLOD Collagen Glycosyltransferase Activity
Int J Mol Sci, 2023
2KRC
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BU of 2krc by Molmil
Solution structure of the N-terminal domain of Bacillus subtilis delta subunit of RNA polymerase
Descriptor: DNA-directed RNA polymerase subunit delta
Authors:Motackova, V, Sanderova, H, Zidek, L, Novacek, J, Padrta, P, Svenkova, A, Jonak, J, Krasny, L, Sklenar, V.
Deposit date:2009-12-16
Release date:2010-04-07
Last modified:2024-05-29
Method:SOLUTION NMR
Cite:Solution structure of the N-terminal domain of Bacillus subtilis delta subunit of RNA polymerase and its classification based on structural homologs
Proteins, 78, 2010
6TES
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BU of 6tes by Molmil
Crystal Structure of full-length Human Lysyl Hydroxylase LH3 - Cocrystal with Fe2+, Mn2+, UDP-Glucuronic Acid
Descriptor: 1,2-ETHANEDIOL, 2-OXOGLUTARIC ACID, 2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Chiapparino, A, De Giorgi, F, Scietti, L, Faravelli, S, Roscioli, T, Forneris, F.
Deposit date:2019-11-12
Release date:2021-05-19
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Identification of Regulatory Molecular 'Hot Spots' for LH/PLOD Collagen Glycosyltransferase Activity
Int J Mol Sci, 2023
6TEU
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BU of 6teu by Molmil
Crystal Structure of full-length Human Lysyl Hydroxylase LH3 - Val80Lys mutant - Cocrystal with Fe2+, Mn2+
Descriptor: 2-OXOGLUTARIC ACID, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Chiapparino, A, De Giorgi, F, Scietti, L, Faravelli, S, Roscioli, T, Forneris, F.
Deposit date:2019-11-12
Release date:2021-05-19
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (3 Å)
Cite:Identification of Regulatory Molecular 'Hot Spots' for LH/PLOD Collagen Glycosyltransferase Activity
Int J Mol Sci, 2023
6TEZ
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BU of 6tez by Molmil
Crystal Structure of full-length Human Lysyl Hydroxylase LH3 - Val80Lys mutant - Cocrystal with Fe2+, Mn2+, UDP-Glucuronic Acid
Descriptor: 2-OXOGLUTARIC ACID, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Chiapparino, A, De Giorgi, F, Scietti, L, Faravelli, S, Roscioli, T, Forneris, F.
Deposit date:2019-11-12
Release date:2021-05-19
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Identification of Regulatory Molecular 'Hot Spots' for LH/PLOD Collagen Glycosyltransferase Activity
Int J Mol Sci, 2023

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數據於2024-07-17公開中

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