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2GPM
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BU of 2gpm by Molmil
Crystal structure of an RNA racemate
分子名称: CALCIUM ION, RNA (5'-R(*(0C)P*(0C)P*(0G)P*(0C)P*(0C)P*(0U)P*(0G)P*(0G))-3'), RNA (5'-R(*(0C)P*(0U)P*(0G)P*(0G)P*(0G)P*(0C)P*(0G)P*(0G))-3')
著者Rypniewski, W, Vallazza, M, Perbandt, M, Klussmann, S, Betzel, C, Erdmann, V.A.
登録日2006-04-18
公開日2006-06-27
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (1.4 Å)
主引用文献The first crystal structure of an RNA racemate.
Acta Crystallogr.,Sect.D, 62, 2006
1R3O
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BU of 1r3o by Molmil
Crystal structure of the first RNA duplex in L-conformation at 1.9A resolution
分子名称: L-RNA
著者Vallazza, M, Perbandt, M, Klussmann, S, Rypniewski, W, Erdmann, V.A, Betzel, C.
登録日2003-10-02
公開日2003-12-23
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献First look at RNA in L-configuration.
Acta Crystallogr.,Sect.D, 60, 2004
6ELY
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BU of 6ely by Molmil
Crystal Structure of Mistletoe Lectin I (ML-I) from Viscum album in Complex with 4-N-Furfurylcytosine at 2.84 A Resolution
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 4-N-Furfurylcytosine, ...
著者Ahmad, M.S, Rasheed, S, Falke, S, Khaliq, B, Perbandt, M, Choudhary, M.I, Markiewicz, W.T, Barciszewski, J, Betzel, C.
登録日2017-09-30
公開日2018-05-02
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (2.84 Å)
主引用文献Crystal Structure of Mistletoe Lectin I (ML-I) from Viscum album in Complex with 4-N-Furfurylcytosine at 2.85 angstrom Resolution.
Med Chem, 14, 2018
6FJS
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BU of 6fjs by Molmil
Proteinase~K SIRAS phased structure of room-temperature, serially collected synchrotron data
分子名称: CALCIUM ION, Proteinase K
著者Botha, S, Baitan, D, Jungnickel, K.E.J, Oberthuer, D, Schmidt, C, Stern, S, Wiedorn, M.O, Perbandt, M, Chapman, H.N, Betzel, C.
登録日2018-01-23
公開日2018-10-10
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献De novoprotein structure determination by heavy-atom soaking in lipidic cubic phase and SIRAS phasing using serial synchrotron crystallography.
IUCrJ, 5, 2018
1P7W
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Crystal structure of the complex of Proteinase K with a designed heptapeptide inhibitor Pro-Ala-Pro-Phe-Ala-Ser-Ala at atomic resolution
分子名称: CALCIUM ION, NITRATE ION, inhibitor peptide, ...
著者Bilgrami, S, Perbandt, M, Chandra, V, Banumathi, S, Kaur, P, Betzel, C, Singh, T.P.
登録日2003-05-06
公開日2004-05-18
最終更新日2023-08-16
実験手法X-RAY DIFFRACTION (1.02 Å)
主引用文献Crystal structure of the complex of Proteinase K with heptapeptide inhibitor Pro-Ala-Pro-Phe-Ala-Ser-Ala at atomic resolution
To be published
1Q5T
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BU of 1q5t by Molmil
Gln48 PLA2 separated from Vipoxin from the venom of Vipera ammodytes meridionalis.
分子名称: Phospholipase A2 inhibitor, SULFATE ION
著者Georgieva, D.N, Perbandt, M, Rypniewski, W, Hristov, K, Genov, N, Betzel, C.
登録日2003-08-11
公開日2004-05-04
最終更新日2011-07-13
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献The X-ray structure of a snake venom Gln48 phospholipase A2 at 1.9A resolution reveals anion-binding sites.
Biochem.Biophys.Res.Commun., 316, 2004
1P7V
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Structure of a complex formed between Proteinase K and a designed heptapeptide inhibitor Pro-Ala-Pro-Phe-Ala-Ala-Ala at atomic resolution
分子名称: CALCIUM ION, NITRATE ION, inhibitor peptide, ...
著者Bilgrami, S, Kaur, P, Chandra, V, Banumathi, S, Perbandt, M, Betzel, C, Singh, T.P.
登録日2003-05-06
公開日2004-05-18
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (1.08 Å)
主引用文献Structure of a complex formed between Proteinase K and a designed heptapeptide inhibitor Pro-Ala-Pro-Phe-Ala-Ala-Ala at atomic resolution
To be published
2YVV
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Crystal structure of hyluranidase complexed with lactose at 2.6 A resolution reveals three specific sugar recognition sites
分子名称: Hyaluronidase, phage associated, beta-D-galactopyranose-(1-4)-alpha-D-glucopyranose
著者Mishra, P, Prem Kumar, R, Singh, N, Sharma, S, Kaur, P, Perbandt, M, Betzel, C, Bhakuni, V, Singh, T.P.
登録日2007-04-16
公開日2007-05-01
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Crystal structure of hyluranidase complexed with lactose at 2.6 A resolution reveals three specific sugar recognition sites
To be Published
2YW0
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Crystal structure of hyluranidase trimer at 2.6 A resolution
分子名称: Hyaluronidase, phage associated
著者Prem Kumar, R, Mishra, P, Singh, N, Perbandt, M, Kaur, P, Sharma, S, Betzel, C, Bhakuni, V, Singh, T.P.
登録日2007-04-18
公開日2007-05-01
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Polysaccharide binding sites in hyaluronate lyase--crystal structures of native phage-encoded hyaluronate lyase and its complexes with ascorbic acid and lactose
Febs J., 276, 2009
2YX2
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BU of 2yx2 by Molmil
Crystal structure of cloned trimeric hyluranidase from streptococcus pyogenes at 2.8 A resolution
分子名称: Hyaluronidase, phage associated
著者Mishra, P, Prem Kumar, R, Bhakuni, V, Singh, N, Sharma, S, Kaur, P, Perbandt, M, Betzel, C, Singh, T.P.
登録日2007-04-23
公開日2007-05-08
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Crystal structure of cloned trimeric hyluranidase from streptococcus pyogenes at 2.8 A resolution
To be Published
2G58
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Crystal structure of a complex of phospholipase A2 with a designed peptide inhibitor Dehydro-Ile-Ala-Arg-Ser at 0.98 A resolution
分子名称: (PHQ)IARS, Phospholipase A2 VRV-PL-VIIIa, SULFATE ION
著者Prem Kumar, R, Singh, N, Somvanshi, R.K, Ethayathulla, A.S, Dey, S, Sharma, S, Kaur, P, Perbandt, M, Betzel, C, Singh, T.P.
登録日2006-02-22
公開日2006-03-28
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (0.98 Å)
主引用文献Crystal structure of a complex of phospholipase A2 with a designed peptide inhibitor Dehydro-Ile-Ala-Arg-Ser at 0.98 A resolution
To be Published
7B83
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BU of 7b83 by Molmil
Structure of SARS-CoV-2 Main Protease bound to pyrithione zinc
分子名称: 3C-like proteinase, 9-oxa-7-thia-1-azonia-8$l^{2}-zincabicyclo[4.3.0]nona-1,3,5-triene, CHLORIDE ION, ...
著者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.
登録日2020-12-12
公開日2021-01-13
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献X-ray screening identifies active site and allosteric inhibitors of SARS-CoV-2 main protease.
Science, 372, 2021
2MLL
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MISTLETOE LECTIN I FROM VISCUM ALBUM
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, PROTEIN (RIBOSOME-INACTIVATING PROTEIN TYPE II)
著者Krauspenhaar, R, Eschenburg, S, Perbandt, M, Kornilov, V, Konareva, N, Mikailova, I, Stoeva, S, Wacker, R, Maier, T, Singh, T.P, Mikhailov, A, Voelter, W, Betzel, C.
登録日1999-03-16
公開日2000-03-20
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献Crystal structure of mistletoe lectin I from Viscum album.
Biochem.Biophys.Res.Commun., 257, 1999
2NWJ
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Structure of the complex of C-terminal lobe of bovine lactoferrin with disaccharide at 1.75 A resolution
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CARBONATE ION, FE (III) ION, ...
著者Singh, N, Sharma, S, Perbandt, M, Kaur, P, Betzel, C, Singh, T.P.
登録日2006-11-15
公開日2006-11-28
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (2.25 Å)
主引用文献Structure of the complex of C-terminal lobe of bovine lactoferrin with disaccharide at 1.75 A resolution
To be Published
2O1L
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Structure of a complex of C-terminal lobe of bovine lactoferrin with disaccharide at 1.97 A resolution
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CARBONATE ION, FE (III) ION, ...
著者Singh, N, Sharma, S, Perbandt, M, Kaur, P, Betzel, C, Singh, T.P.
登録日2006-11-29
公開日2006-12-19
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (1.97 Å)
主引用文献Structure of a complex of C-terminal lobe of bovine lactoferrin with disaccharide at 1.97 A resolution
To be Published
2OYF
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Crystal Structure of the complex of phospholipase A2 with indole acetic acid at 1.2 A resolution
分子名称: 1H-INDOL-3-YLACETIC ACID, ACETIC ACID, Phospholipase A2 VRV-PL-VIIIa, ...
著者Kumar, S, Hariprasad, G, Singh, N, Sharma, S, Kaur, P, Perbandt, M, Betzel, C, Singh, T.P.
登録日2007-02-22
公開日2007-03-20
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (1.2 Å)
主引用文献Crystal Structure of the complex of phospholipase A2 with indole acetic acid at 1.2 A resolution
To be Published
2Q1P
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Crystal Structure of Phospholipase A2 complex with propanol at 1.5 A resolution
分子名称: N-PROPANOL, Phospholipase A2 VRV-PL-VIIIa, SULFATE ION
著者Kumar, S, Hariprasad, G, Singh, N, Sharma, S, Kaur, P, Perbandt, M, Betzel, C, Singh, T.P.
登録日2007-05-25
公開日2007-06-05
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Crystal Structure of Phospholipase A2 complex with propanol at 1.5 A resolution
To be Published
2PWA
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Crystal Structure of the complex of Proteinase K with Alanine Boronic acid at 0.83A resolution
分子名称: ALANINE BORONIC ACID, CALCIUM ION, NITRATE ION, ...
著者Jain, R, Singh, N, Perbandt, M, Betzel, C, Sharma, S, Kaur, P, Srinivasan, A, Singh, T.P.
登録日2007-05-11
公開日2007-05-29
最終更新日2011-07-13
実験手法X-RAY DIFFRACTION (0.83 Å)
主引用文献Crystal structure of the complex of Proteinase K with Alanine Boronic Acid at 0.83A Resolution
To be Published
3ZVB
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3C protease of Enterovirus 68 complexed with Michael receptor inhibitor 81
分子名称: 3C PROTEASE, ETHYL (4R)-4-{[N-(TERT-BUTOXYCARBONYL)-L-PHENYLALANYL]AMINO}-5-[(3S)-2-OXOPYRROLIDIN-3-YL]PENTANOATE
著者Tan, J, Perbandt, M, Mesters, J.R, Hilgenfeld, R.
登録日2011-07-24
公開日2012-08-08
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (2.65 Å)
主引用文献3C Protease of Enterovirus 68: Structure-Based Design of Michael Acceptor Inhibitors and Their Broad-Spectrum Antiviral Effects Against Picornaviruses.
J.Virol., 87, 2013
3ZVC
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3C protease of Enterovirus 68 complexed with Michael receptor inhibitor 82
分子名称: 3C PROTEASE, ETHYL (5S,8S,11R)-8-BENZYL-5-(3-TERT-BUTOXY-3-OXOPROPYL)-3,6,9-TRIOXO-11-{[(3S)-2-OXOPYRROLIDIN-3-YL]METHYL}-1-PHENYL-2-OXA-4,7,10-TRIAZATETRADECAN-14-OATE
著者Tan, J, Perbandt, M, Mesters, J.R, Hilgenfeld, R.
登録日2011-07-24
公開日2012-08-08
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献3C Protease of Enterovirus 68: Structure-Based Design of Michael Acceptor Inhibitors and Their Broad-Spectrum Antiviral Effects Against Picornaviruses.
J.Virol., 87, 2013
3ZVD
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3C protease of Enterovirus 68 complexed with Michael receptor inhibitor 83
分子名称: 3C PROTEASE, ETHYL (5S,8S,11R)-8-BENZYL-5-(2-TERT-BUTOXY-2-OXOETHYL)-3,6,9-TRIOXO-11-{[(3S)-2-OXOPYRROLIDIN-3-YL]METHYL}-1-PHENYL-2-OXA-4,7,10-TRIAZATETRADECAN-14-OATE
著者Tan, J, Perbandt, M, Mesters, J.R, Hilgenfeld, R.
登録日2011-07-24
公開日2012-08-08
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (2.25 Å)
主引用文献3C Protease of Enterovirus 68: Structure-Based Design of Michael Acceptor Inhibitors and Their Broad-Spectrum Antiviral Effects Against Picornaviruses.
J.Virol., 87, 2013
3ZV8
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Crystal structure of 3C protease of Enterovirus 68
分子名称: 3C PROTEASE
著者Tan, J, Perbandt, M, Mesters, J.R, Hilgenfeld, R.
登録日2011-07-24
公開日2012-08-08
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献3C Protease of Enterovirus 68: Structure-Based Design of Michael Acceptor Inhibitors and Their Broad-Spectrum Antiviral Effects Against Picornaviruses.
J.Virol., 87, 2013
3ZVG
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3C protease of Enterovirus 68 complexed with Michael receptor inhibitor 98
分子名称: 3C PROTEASE, N-(tert-butoxycarbonyl)-O-tert-butyl-L-threonyl-N-{(2R)-5-ethoxy-5-oxo-1-[(3S)-2-oxopyrrolidin-3-yl]pentan-2-yl}-L-phenylalaninamide
著者Tan, J, Perbandt, M, Mesters, J.R, Hilgenfeld, R.
登録日2011-07-24
公開日2012-08-08
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献3C Protease of Enterovirus 68: Structure-Based Design of Michael Acceptor Inhibitors and Their Broad-Spectrum Antiviral Effects Against Picornaviruses.
J.Virol., 87, 2013
3ZVA
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3C protease of Enterovirus 68 complexed with Michael receptor inhibitor 75
分子名称: 3C PROTEASE, ETHYL (4R)-4-({N-[(BENZYLOXY)CARBONYL]-L-PHENYLALANYL}AMINO)-5-[(3S)-2-OXOPYRROLIDIN-3-YL]PENTANOATE
著者Tan, J, Perbandt, M, Mesters, J.R, Hilgenfeld, R.
登録日2011-07-24
公開日2012-08-08
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献3C Protease of Enterovirus 68: Structure-Based Design of Michael Acceptor Inhibitors and Their Broad-Spectrum Antiviral Effects Against Picornaviruses.
J.Virol., 87, 2013
3ZVF
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3C protease of Enterovirus 68 complexed with Michael receptor inhibitor 85
分子名称: 3C PROTEASE, N-[(benzyloxy)carbonyl]-O-tert-butyl-L-seryl-N-{(2R)-5-ethoxy-5-oxo-1-[(3S)-2-oxopyrrolidin-3-yl]pentan-2-yl}-L-phenylalaninamide
著者Tan, J, Perbandt, M, Mesters, J.R, Hilgenfeld, R.
登録日2011-07-24
公開日2012-08-08
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献3C Protease of Enterovirus 68: Structure-Based Design of Michael Acceptor Inhibitors and Their Broad-Spectrum Antiviral Effects Against Picornaviruses.
J.Virol., 87, 2013

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