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8Q7S
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BU of 8q7s by Molmil
Crystal structure of the SARS-CoV-2 RBD (Wuhan) with neutralizing VHHs Ma6F06 and Re21H01
分子名称: 1,2-ETHANEDIOL, 1-ETHOXY-2-(2-ETHOXYETHOXY)ETHANE, GLYCEROL, ...
著者Guttler, T, Aksu, M, Gorlich, D.
登録日2023-08-16
公開日2023-12-20
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献Nanobodies to multiple spike variants and inhalation of nanobody-containing aerosols neutralize SARS-CoV-2 in cell culture and hamsters.
Antiviral Res., 221, 2023
2TDX
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BU of 2tdx by Molmil
DIPHTHERIA TOX REPRESSOR (C102D MUTANT) COMPLEXED WITH NICKEL
分子名称: DIPHTHERIA TOX REPRESSOR, NICKEL (II) ION
著者White, A, Ding, X, Zheng, H, Schiering, N, Ringe, D, Murphy, J.R.
登録日1998-06-22
公開日1998-10-14
最終更新日2024-05-22
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Structure of the metal-ion-activated diphtheria toxin repressor/tox operator complex.
Nature, 394, 1998
6DHH
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BU of 6dhh by Molmil
RT XFEL structure of Photosystem II 400 microseconds after the second illumination at 2.2 Angstrom resolution
分子名称: 1,2-DI-O-ACYL-3-O-[6-DEOXY-6-SULFO-ALPHA-D-GLUCOPYRANOSYL]-SN-GLYCEROL, 1,2-DIPALMITOYL-PHOSPHATIDYL-GLYCEROLE, 1,2-DISTEAROYL-MONOGALACTOSYL-DIGLYCERIDE, ...
著者Kern, J, Chatterjee, R, Young, I.D, Fuller, F.D, Lassalle, L, Ibrahim, M, Gul, S, Fransson, T, Brewster, A.S, Alonso-Mori, R, Hussein, R, Zhang, M, Douthit, L, de Lichtenberg, C, Cheah, M.H, Shevela, D, Wersig, J, Seufert, I, Sokaras, D, Pastor, E, Weninger, C, Kroll, T, Sierra, R.G, Aller, P, Butryn, A, Orville, A.M, Liang, M, Batyuk, A, Koglin, J.E, Carbajo, S, Boutet, S, Moriarty, N.W, Holton, J.M, Dobbek, H, Adams, P.D, Bergmann, U, Sauter, N.K, Zouni, A, Messinger, J, Yano, J, Yachandra, V.K.
登録日2018-05-20
公開日2018-11-21
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Structures of the intermediates of Kok's photosynthetic water oxidation clock.
Nature, 563, 2018
4Z6G
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BU of 4z6g by Molmil
Structure of NT domain
分子名称: Microtubule-actin cross-linking factor 1, isoforms 1/2/3/5, PHOSPHATE ION
著者Yang, F, Zhang, Y.
登録日2015-04-05
公開日2016-04-06
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (2.654 Å)
主引用文献In vivo epidermal migration requires focal adhesion targeting of ACF7.
Nat Commun, 7, 2016
4YDN
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BU of 4ydn by Molmil
High resolution crystal structure of human transthyretin bound to ligand and conjugates of 4-(5-(3,5-dichloro-4-hydroxyphenyl)-1,3,4-oxadiazol-2-yl)phenyl fluorosulfate
分子名称: 2,6-dichloro-4-[5-(4-hydroxyphenyl)-1,3,4-oxadiazol-2-yl]phenol, 4-[5-(3,5-dichloro-4-hydroxyphenyl)-1,3,4-oxadiazol-2-yl]phenyl sulfurofluoridate, Transthyretin
著者Connelly, S, Bradbury, N.C.
登録日2015-02-22
公開日2015-07-15
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (1.35 Å)
主引用文献A Fluorogenic Aryl Fluorosulfate for Intraorganellar Transthyretin Imaging in Living Cells and in Caenorhabditis elegans.
J.Am.Chem.Soc., 137, 2015
4YZ7
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BU of 4yz7 by Molmil
Crystal structure of Piratoxin I (PrTX-I) complexed to aristolochic acid
分子名称: 2-{2-[2-(2-{2-[2-(2-ETHOXY-ETHOXY)-ETHOXY]-ETHOXY}-ETHOXY)-ETHOXY]-ETHOXY}-ETHANOL, 9-HYDROXY ARISTOLOCHIC ACID, Basic phospholipase A2 homolog piratoxin-1, ...
著者Fernandes, C.A.H, Fontes, M.R.M.
登録日2015-03-24
公開日2015-08-05
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (1.9589 Å)
主引用文献Structural Basis for the Inhibition of a Phospholipase A2-Like Toxin by Caffeic and Aristolochic Acids.
Plos One, 10, 2015
6DHO
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BU of 6dho by Molmil
RT XFEL structure of the two-flash state of Photosystem II (2F, S3-rich) at 2.07 Angstrom resolution
分子名称: 1,2-DI-O-ACYL-3-O-[6-DEOXY-6-SULFO-ALPHA-D-GLUCOPYRANOSYL]-SN-GLYCEROL, 1,2-DIPALMITOYL-PHOSPHATIDYL-GLYCEROLE, 1,2-DISTEAROYL-MONOGALACTOSYL-DIGLYCERIDE, ...
著者Kern, J, Chatterjee, R, Young, I.D, Fuller, F.D, Lassalle, L, Ibrahim, M, Gul, S, Fransson, T, Brewster, A.S, Alonso-Mori, R, Hussein, R, Zhang, M, Douthit, L, de Lichtenberg, C, Cheah, M.H, Shevela, D, Wersig, J, Seufert, I, Sokaras, D, Pastor, E, Weninger, C, Kroll, T, Sierra, R.G, Aller, P, Butryn, A, Orville, A.M, Liang, M, Batyuk, A, Koglin, J.E, Carbajo, S, Boutet, S, Moriarty, N.W, Holton, J.M, Dobbek, H, Adams, P.D, Bergmann, U, Sauter, N.K, Zouni, A, Messinger, J, Yano, J, Yachandra, V.K.
登録日2018-05-20
公開日2018-11-21
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (2.07 Å)
主引用文献Structures of the intermediates of Kok's photosynthetic water oxidation clock.
Nature, 563, 2018
6DHG
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BU of 6dhg by Molmil
RT XFEL structure of Photosystem II 150 microseconds after the second illumination at 2.5 Angstrom resolution
分子名称: 1,2-DI-O-ACYL-3-O-[6-DEOXY-6-SULFO-ALPHA-D-GLUCOPYRANOSYL]-SN-GLYCEROL, 1,2-DIPALMITOYL-PHOSPHATIDYL-GLYCEROLE, 1,2-DISTEAROYL-MONOGALACTOSYL-DIGLYCERIDE, ...
著者Kern, J, Chatterjee, R, Young, I.D, Fuller, F.D, Lassalle, L, Ibrahim, M, Gul, S, Fransson, T, Brewster, A.S, Alonso-Mori, R, Hussein, R, Zhang, M, Douthit, L, de Lichtenberg, C, Cheah, M.H, Shevela, D, Wersig, J, Seufert, I, Sokaras, D, Pastor, E, Weninger, C, Kroll, T, Sierra, R.G, Aller, P, Butryn, A, Orville, A.M, Liang, M, Batyuk, A, Koglin, J.E, Carbajo, S, Boutet, S, Moriarty, N.W, Holton, J.M, Dobbek, H, Adams, P.D, Bergmann, U, Sauter, N.K, Zouni, A, Messinger, J, Yano, J, Yachandra, V.K.
登録日2018-05-20
公開日2018-11-21
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Structures of the intermediates of Kok's photosynthetic water oxidation clock.
Nature, 563, 2018
4YU7
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BU of 4yu7 by Molmil
Crystal structure of Piratoxin I (PrTX-I) complexed to caffeic acid
分子名称: 2-{2-[2-(2-{2-[2-(2-ETHOXY-ETHOXY)-ETHOXY]-ETHOXY}-ETHOXY)-ETHOXY]-ETHOXY}-ETHANOL, Basic phospholipase A2 homolog piratoxin-1, CAFFEIC ACID, ...
著者Fernandes, C.A.H, Fontes, M.R.M.
登録日2015-03-18
公開日2015-08-05
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (1.647 Å)
主引用文献Structural Basis for the Inhibition of a Phospholipase A2-Like Toxin by Caffeic and Aristolochic Acids.
Plos One, 10, 2015
4YDM
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BU of 4ydm by Molmil
High resolution crystal structure of human transthyretin bound to ligand and conjugates of 3-(5-(3,5-dichloro-4-hydroxyphenyl)-1,3,4-oxadiazol-2-yl)phenyl fluorosulfate
分子名称: 2,6-dichloro-4-[5-(3-hydroxyphenyl)-1,3,4-oxadiazol-2-yl]phenol, Transthyretin
著者Connelly, S, Bradbury, N.C.
登録日2015-02-22
公開日2015-07-15
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (1.25 Å)
主引用文献A Fluorogenic Aryl Fluorosulfate for Intraorganellar Transthyretin Imaging in Living Cells and in Caenorhabditis elegans.
J.Am.Chem.Soc., 137, 2015
5AOT
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BU of 5aot by Molmil
Very high resolution structure of a novel carbohydrate binding module from Ruminococcus flavefaciens FD-1 endoglucanase Cel5A
分子名称: CACODYLATE ION, Carbohydrate binding module, GLYCEROL
著者Pires, A.J, Ribeiro, T, Thompson, A, Venditto, I, Fernandes, V.O, Bule, P, Santos, H, Alves, V.D, Pires, V, Ferreira, L.M.A, Fontes, C.M.G.A, Najmudin, S.
登録日2015-09-11
公開日2016-06-22
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.02 Å)
主引用文献Complexity of the Ruminococcus flavefaciens cellulosome reflects an expansion in glycan recognition.
Proc. Natl. Acad. Sci. U.S.A., 113, 2016
5AOS
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BU of 5aos by Molmil
Structure of a novel carbohydrate binding module from Ruminococcus flavefaciens FD-1 endoglucanase Cel5A solved at the As edge
分子名称: CACODYLATE ION, Carbohydrate binding module, GLYCEROL
著者Pires, A.J, Ribeiro, T, Thompson, A, Venditto, I, Fernandes, V.O, Bule, P, Santos, H, Alves, V.D, Pires, V, Ferreira, L.M.A, Fontes, C.M.G.A, Najmudin, S.
登録日2015-09-11
公開日2016-06-29
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (1.29 Å)
主引用文献Complexity of the Ruminococcus flavefaciens cellulosome reflects an expansion in glycan recognition.
Proc. Natl. Acad. Sci. U.S.A., 113, 2016
2CMN
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BU of 2cmn by Molmil
A Proximal Arginine Residue in the Switching Mechanism of the FixL Oxygen Sensor
分子名称: PROTOPORPHYRIN IX CONTAINING FE, SENSOR PROTEIN FIXL
著者Gilles-Gonzalez, M.-A, Caceres, A.I, Silva Sousa, E.H, Tomchick, D.R, Brautigam, C.A, Gonzalez, C, Machius, M.
登録日2006-05-11
公開日2007-05-15
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献A Proximal Arginine R206 Participates in Switching of the Bradyrhizobium Japonicum Fixl Oxygen Sensor
J.Mol.Biol., 360, 2006
1QTJ
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BU of 1qtj by Molmil
CRYSTAL STRUCTURE OF LIMULUS POLYPHEMUS SAP
分子名称: PROTEIN (SERUM AMYLOID P COMPONENT)
著者Shrive, A.K, Metcalfe, A.M, Cartwright, J.R, Greenhough, T.J.
登録日1999-06-28
公開日2000-06-28
最終更新日2023-08-16
実験手法X-RAY DIFFRACTION (3 Å)
主引用文献C-reactive protein and SAP-like pentraxin are both present in Limulus polyphemus haemolymph: crystal structure of Limulus SAP.
J.Mol.Biol., 290, 1999
1RHS
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BU of 1rhs by Molmil
SULFUR-SUBSTITUTED RHODANESE
分子名称: SULFUR-SUBSTITUTED RHODANESE
著者Zanotti, G, Gliubich, F, Colapietro, M, Barba, L.
登録日1997-07-16
公開日1998-01-21
最終更新日2024-06-05
実験手法X-RAY DIFFRACTION (1.36 Å)
主引用文献Structure of sulfur-substituted rhodanese at 1.36 A resolution.
Acta Crystallogr.,Sect.D, 54, 1998
1RDH
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BU of 1rdh by Molmil
CRYSTALLOGRAPHIC ANALYSES OF AN ACTIVE HIV-1 RIBONUCLEASE H DOMAIN SHOW STRUCTURAL FEATURES THAT DISTINGUISH IT FROM THE INACTIVE FORM
分子名称: HIV-1 REVERSE TRANSCRIPTASE (RIBONUCLEASE H DOMAIN)
著者Finzel, B.C, Chattopadhyay, D, Einspahr, H.M.
登録日1993-03-05
公開日1994-05-31
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Crystallographic analyses of an active HIV-1 ribonuclease H domain show structural features that distinguish it from the inactive form.
Acta Crystallogr.,Sect.D, 49, 1993
1IUX
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BU of 1iux by Molmil
P-HYDROXYBENZOATE HYDROXYLASE COMPLEXED WITH 4-4-HYDROXYBENZOATE AT PH 9.4
分子名称: FLAVIN-ADENINE DINUCLEOTIDE, P-HYDROXYBENZOATE HYDROXYLASE, P-HYDROXYBENZOIC ACID
著者Gatti, D.L, Entsch, B, Ballou, D.P, Ludwig, M.L.
登録日1995-11-22
公開日1996-07-11
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献pH-dependent structural changes in the active site of p-hydroxybenzoate hydroxylase point to the importance of proton and water movements during catalysis.
Biochemistry, 35, 1996
1HMH
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BU of 1hmh by Molmil
THREE-DIMENSIONAL STRUCTURE OF A HAMMERHEAD RIBOZYME
分子名称: HAMMERHEAD RIBOZYME-DNA STRAND, HAMMERHEAD RIBOZYME-RNA STRAND
著者Pley, H.W, Flaherty, K.M, McKay, D.B.
登録日1995-06-06
公開日1995-12-07
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Three-dimensional structure of a hammerhead ribozyme.
Nature, 372, 1994
1KIT
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BU of 1kit by Molmil
VIBRIO CHOLERAE NEURAMINIDASE
分子名称: CALCIUM ION, SIALIDASE
著者Taylor, G.L, Crennell, S.J, Garman, E.F, Vimr, E.R, Laver, W.G.
登録日1996-06-21
公開日1997-06-05
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Crystal structure of Vibrio cholerae neuraminidase reveals dual lectin-like domains in addition to the catalytic domain.
Structure, 2, 1994
1IUV
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BU of 1iuv by Molmil
P-HYDROXYBENZOATE HYDROXYLASE COMPLEXED WITH 4-4-HYDROXYBENZOATE AT PH 5.0
分子名称: FLAVIN-ADENINE DINUCLEOTIDE, P-HYDROXYBENZOATE HYDROXYLASE, P-HYDROXYBENZOIC ACID
著者Gatti, D.L, Entsch, B, Ballou, D.P, Ludwig, M.L.
登録日1995-11-22
公開日1996-06-20
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献pH-dependent structural changes in the active site of p-hydroxybenzoate hydroxylase point to the importance of proton and water movements during catalysis.
Biochemistry, 35, 1996
1IUW
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BU of 1iuw by Molmil
P-HYDROXYBENZOATE HYDROXYLASE COMPLEXED WITH 4-4-HYDROXYBENZOATE AT PH 7.4
分子名称: FLAVIN-ADENINE DINUCLEOTIDE, P-HYDROXYBENZOATE HYDROXYLASE, P-HYDROXYBENZOIC ACID
著者Gatti, D.L, Entsch, B, Ballou, D.P, Ludwig, M.L.
登録日1995-11-22
公開日1996-07-11
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献pH-dependent structural changes in the active site of p-hydroxybenzoate hydroxylase point to the importance of proton and water movements during catalysis.
Biochemistry, 35, 1996
1LTR
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BU of 1ltr by Molmil
CRYSTAL STRUCTURE OF THE B SUBUNIT OF HUMAN HEAT-LABILE ENTEROTOXIN FROM E. COLI CARRYING A PEPTIDE WITH ANTI-HSV ACTIVITY
分子名称: HEAT-LABILE ENTEROTOXIN, SULFATE ION
著者Matkovic-Calogovic, D, Loreggian, A, Palu, G, Zanotti, G.
登録日1998-07-31
公開日1999-02-09
最終更新日2023-08-09
実験手法X-RAY DIFFRACTION (3.04 Å)
主引用文献Crystal structure of the B subunit of Escherichia coli heat-labile enterotoxin carrying peptides with anti-herpes simplex virus type 1 activity.
J.Biol.Chem., 274, 1999
1OVA
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BU of 1ova by Molmil
CRYSTAL STRUCTURE OF UNCLEAVED OVALBUMIN AT 1.95 ANGSTROMS RESOLUTION
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, OVALBUMIN
著者Stein, P.E, Leslie, A.G.W.
登録日1990-11-26
公開日1992-04-15
最終更新日2020-07-29
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献Crystal structure of uncleaved ovalbumin at 1.95 A resolution.
J.Mol.Biol., 221, 1991
4Y5Q
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BU of 4y5q by Molmil
Activated Calcium-Dependent Protein Kinase 1 from Cryptosporidium parvum (CpCDPK1) in complex with AMP
分子名称: ADENOSINE MONOPHOSPHATE, CALCIUM ION, Calmodulin-domain protein kinase 1, ...
著者Merritt, E.A, Larson, E.T, Medical Structural Genomics of Pathogenic Protozoa (MSGPP)
登録日2015-02-11
公開日2015-02-25
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Activated Calcium-Dependent Protein Kinase 1 from Cryptosporidium parvum (CpCDPK1) in complex with AMP
To Be Published
7GMO
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BU of 7gmo by Molmil
Group deposition SARS-CoV-2 main protease in complex with inhibitors from the COVID Moonshot -- Crystal Structure of SARS-CoV-2 main protease in complex with EDJ-MED-12c4873b-5 (Mpro-P2206)
分子名称: (4S)-6-chloro-N-(isoquinolin-4-yl)-2-[(3R)-2-oxopyrrolidin-3-yl]-1,2,3,4-tetrahydroisoquinoline-4-carboxamide, 3C-like proteinase, CHLORIDE ION, ...
著者Fearon, D, Aimon, A, Aschenbrenner, J.C, Balcomb, B.H, Bertram, F.K.R, Brandao-Neto, J, Dias, A, Douangamath, A, Dunnett, L, Godoy, A.S, Gorrie-Stone, T.J, Koekemoer, L, Krojer, T, Lithgo, R.M, Lukacik, P, Marples, P.G, Mikolajek, H, Nelson, E, Owen, C.D, Powell, A.J, Rangel, V.L, Skyner, R, Strain-Damerell, C.M, Thompson, W, Tomlinson, C.W.E, Wild, C, Walsh, M.A, von Delft, F.
登録日2023-08-11
公開日2023-11-08
最終更新日2023-12-06
実験手法X-RAY DIFFRACTION (1.855 Å)
主引用文献Open science discovery of potent noncovalent SARS-CoV-2 main protease inhibitors.
Science, 382, 2023

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