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5N4N
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BU of 5n4n by Molmil
Crystal structure of human Pim-1 kinase in complex with a consensus peptide and fragment like molecule 3,4-dimethyl-5-(1H-1,2,4-triazol-3-yl)thiophene-2-carbonitrile
分子名称: 3,4-dimethyl-5-(1~{H}-1,2,4-triazol-3-yl)thiophene-2-carbonitrile, Pimtide, Serine/threonine-protein kinase pim-1
著者Siefker, C, Heine, A, Klebe, G.
登録日2017-02-11
公開日2018-02-28
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (2.09 Å)
主引用文献A crystallographic fragment study with human Pim-1 kinase
to be published
5N5M
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BU of 5n5m by Molmil
Crystal structure of human Pim-1 kinase in complex with a consensuspeptide and (R)-3-(2-((isoquinolin-5-ylmethyl)(methyl)carbamoyl)phenyl)pyrrolidin-1-ium
分子名称: Pimtide, Serine/threonine-protein kinase pim-1, ~{N}-(isoquinolin-5-ylmethyl)-~{N}-methyl-2-[(3~{R})-pyrrolidin-3-yl]benzamide
著者Siefker, C, Heine, A, Klebe, G.
登録日2017-02-14
公開日2018-03-07
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (2.21 Å)
主引用文献A crystallographic fragment study with human Pim-1 kinase
to be published
5N52
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BU of 5n52 by Molmil
Crystal structure of human Pim-1 kinase in complex with a consensus peptide and fragment like molecule (E)-3-(2,3-dimethoxyphenyl)acrylic acid
分子名称: (~{E})-3-(2,3-dimethoxyphenyl)prop-2-enoic acid, Pimtide, Serine/threonine-protein kinase pim-1
著者Siefker, C, Heine, A, Klebe, G.
登録日2017-02-11
公開日2018-02-28
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (2.252 Å)
主引用文献A crystallographic fragment study with human Pim-1 kinase
to be published
4G55
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BU of 4g55 by Molmil
Clathrin terminal domain complexed with pitstop 2
分子名称: 1,2-ETHANEDIOL, ACETATE ION, Clathrin heavy chain 1, ...
著者Bulut, H, Von Kleist, L, Saenger, W, Haucke, V.
登録日2012-07-17
公開日2012-08-01
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.69 Å)
主引用文献Role of the clathrin terminal domain in regulating coated pit dynamics revealed by small molecule inhibition.
Cell(Cambridge,Mass.), 146, 2011
5MJ0
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BU of 5mj0 by Molmil
Extracellular domain of human CD83 - cubic crystal form
分子名称: CD83 antigen
著者Klingl, S, Egerer-Sieber, C, Schmid, B, Muller, Y.A.
登録日2016-11-29
公開日2017-03-29
最終更新日2018-03-07
実験手法X-RAY DIFFRACTION (3.2 Å)
主引用文献Crystal Structure of the Extracellular Domain of the Human Dendritic Cell Surface Marker CD83.
J. Mol. Biol., 429, 2017
5MJ1
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BU of 5mj1 by Molmil
Extracellular domain of human CD83 - rhombohedral crystal form
分子名称: CD83 antigen, DI(HYDROXYETHYL)ETHER
著者Klingl, S, Egerer-Sieber, C, Schmid, B, Weiler, S, Muller, Y.A.
登録日2016-11-29
公開日2017-03-29
最終更新日2018-03-07
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Crystal Structure of the Extracellular Domain of the Human Dendritic Cell Surface Marker CD83.
J. Mol. Biol., 429, 2017
5MJ2
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BU of 5mj2 by Molmil
Extracellular domain of human CD83 - rhombohedral crystal form after UV-RIP (S-SAD data)
分子名称: CD83 antigen, DI(HYDROXYETHYL)ETHER
著者Klingl, S, Egerer-Sieber, C, Schmid, B, Weiler, S, Muller, Y.A.
登録日2016-11-29
公開日2017-03-29
最終更新日2018-03-07
実験手法X-RAY DIFFRACTION (1.98 Å)
主引用文献Crystal Structure of the Extracellular Domain of the Human Dendritic Cell Surface Marker CD83.
J. Mol. Biol., 429, 2017
5MIX
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BU of 5mix by Molmil
Extracellular domain of human CD83 - trigonal crystal form
分子名称: CD83 antigen
著者Klingl, S, Egerer-Sieber, C, Schmid, B, Muller, Y.A.
登録日2016-11-29
公開日2017-03-29
最終更新日2017-09-06
実験手法X-RAY DIFFRACTION (1.701 Å)
主引用文献Crystal Structure of the Extracellular Domain of the Human Dendritic Cell Surface Marker CD83.
J. Mol. Biol., 429, 2017
6R4V
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BU of 6r4v by Molmil
Crystal structure of human geranylgeranyl diphosphate synthase bound to ibandronate
分子名称: GLYCEROL, Geranylgeranyl pyrophosphate synthase, IBANDRONATE, ...
著者Lisnyansky, M, Giladi, M, Haitin, Y.
登録日2019-03-24
公開日2019-09-18
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (2.202 Å)
主引用文献Metal Coordination Is Crucial for Geranylgeranyl Diphosphate Synthase-Bisphosphonate Interactions: A Crystallographic and Computational Analysis.
Mol.Pharmacol., 96, 2019
6UR5
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BU of 6ur5 by Molmil
Resurfaced influenza hemagglutinin in complex with a broadly neutralizing antibody
分子名称: Antibody heavy chain, Antibody light chain, GLYCEROL, ...
著者Bajic, G, Schmidt, A.G.
登録日2019-10-22
公開日2020-06-10
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (4 Å)
主引用文献Structure-Guided Molecular Grafting of a Complex Broadly Neutralizing Viral Epitope.
Acs Infect Dis., 6, 2020
2NRF
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BU of 2nrf by Molmil
Crystal Structure of GlpG, a Rhomboid family intramembrane protease
分子名称: Protein GlpG
著者Wu, Z, Yan, N, Feng, L, Yan, H, Gu, L, Shi, Y.
登録日2006-11-02
公開日2006-11-14
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Structural analysis of a rhomboid family intramembrane protease reveals a gating mechanism for substrate entry.
Nat.Struct.Mol.Biol., 13, 2006
2FDE
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BU of 2fde by Molmil
Wild type HIV protease bound with GW0385
分子名称: (3R,3AS,6AR)-HEXAHYDROFURO[2,3-B]FURAN-3-YL [(1S,2R)-3-[(1,3-BENZODIOXOL-5-YLSULFONYL)(ISOBUTYL)AMINO]-2-HYDROXY-1-{4-[(2-METHYL-1,3-THIAZOL-4-YL)METHOXY]BENZYL}PROPYL]CARBAMATE, Gag-Pol polyprotein, POTASSIUM ION
著者Xu, R.X.
登録日2005-12-13
公開日2006-02-21
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献Ultra-potent P1 modified arylsulfonamide HIV protease inhibitors: The discovery of GW0385.
Bioorg.Med.Chem.Lett., 16, 2006
2FDD
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BU of 2fdd by Molmil
Crystal structure of HIV protease D545701 bound with GW0385
分子名称: (3R,3AS,6AR)-HEXAHYDROFURO[2,3-B]FURAN-3-YL [(1S,2R)-3-[(1,3-BENZODIOXOL-5-YLSULFONYL)(ISOBUTYL)AMINO]-2-HYDROXY-1-{4-[(2-METHYL-1,3-THIAZOL-4-YL)METHOXY]BENZYL}PROPYL]CARBAMATE, Gag-Pol polyprotein
著者Xu, R.X.
登録日2005-12-13
公開日2006-02-21
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (1.58 Å)
主引用文献Ultra-potent P1 modified arylsulfonamide HIV protease inhibitors: The discovery of GW0385.
Bioorg.Med.Chem.Lett., 16, 2006
3RMR
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BU of 3rmr by Molmil
Crystal structure of Hyaloperonospora arabidopsidis ATR1 effector domain
分子名称: Avirulence protein
著者Chou, S, Krasileva, K.V, Holton, J.M, Staskawicz, B.J, Alber, T.
登録日2011-04-21
公開日2011-07-20
最終更新日2019-07-17
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献The Hyaloperonospora arabidopsidis ATR1 effector has distributed recognition surfaces and a structural subdomain conserved across oomycete species
To be Published
2DBL
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BU of 2dbl by Molmil
MOLECULAR BASIS OF CROSS-REACTIVITY AND THE LIMITS OF ANTIBODY-ANTIGEN COMPLEMENTARITY
分子名称: 5-ALPHA-PREGNANE-3-BETA-OL-HEMISUCCINATE, IGG1-KAPPA DB3 FAB (HEAVY CHAIN), IGG1-KAPPA DB3 FAB (LIGHT CHAIN)
著者Arevalo, J.H, Wilson, I.A.
登録日1994-02-08
公開日1994-03-07
最終更新日2024-06-05
実験手法X-RAY DIFFRACTION (2.9 Å)
主引用文献Molecular basis of crossreactivity and the limits of antibody-antigen complementarity.
Nature, 365, 1993
1DBK
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BU of 1dbk by Molmil
MOLECULAR BASIS OF CROSS-REACTIVITY AND THE LIMITS OF ANTIBODY-ANTIGEN COMPLEMENTARITY
分子名称: 5-BETA-ANDROSTANE-3,17-DIONE, IGG1-KAPPA DB3 FAB (HEAVY CHAIN), IGG1-KAPPA DB3 FAB (LIGHT CHAIN)
著者Arevalo, J.H, Wilson, I.A.
登録日1993-08-24
公開日1994-01-31
最終更新日2024-06-05
実験手法X-RAY DIFFRACTION (3 Å)
主引用文献Molecular basis of crossreactivity and the limits of antibody-antigen complementarity.
Nature, 365, 1993
1DBJ
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BU of 1dbj by Molmil
MOLECULAR BASIS OF CROSS-REACTIVITY AND THE LIMITS OF ANTIBODY-ANTIGEN COMPLEMENTARITY
分子名称: AETIOCHOLANOLONE, IGG1-KAPPA DB3 FAB (HEAVY CHAIN), IGG1-KAPPA DB3 FAB (LIGHT CHAIN)
著者Arevalo, J.H, Wilson, I.A.
登録日1993-08-24
公開日1994-01-31
最終更新日2024-06-05
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献Molecular basis of crossreactivity and the limits of antibody-antigen complementarity.
Nature, 365, 1993
1DBA
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BU of 1dba by Molmil
THREE-DIMENSIONAL STRUCTURE OF AN ANTI-STEROID FAB' AND PROGESTERONE-FAB' COMPLEX
分子名称: ETHANOL, IGG1-KAPPA DB3 FAB (HEAVY CHAIN), IGG1-KAPPA DB3 FAB (LIGHT CHAIN)
著者Arevalo, J.H, Wilson, I.A.
登録日1992-11-10
公開日1993-10-31
最終更新日2024-06-05
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Three-dimensional structure of an anti-steroid Fab' and progesterone-Fab' complex.
J.Mol.Biol., 231, 1993
1DBB
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BU of 1dbb by Molmil
THREE-DIMENSIONAL STRUCTURE OF AN ANTI-STEROID FAB' AND PROGESTERONE-FAB' COMPLEX
分子名称: IGG1-KAPPA DB3 FAB (HEAVY CHAIN), IGG1-KAPPA DB3 FAB (LIGHT CHAIN), PROGESTERONE
著者Arevalo, J.H, Wilson, I.A.
登録日1992-11-11
公開日1993-10-31
最終更新日2024-06-05
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献Three-dimensional structure of an anti-steroid Fab' and progesterone-Fab' complex.
J.Mol.Biol., 231, 1993
1DBM
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BU of 1dbm by Molmil
MOLECULAR BASIS OF CROSS-REACTIVITY AND THE LIMITS OF ANTIBODY-ANTIGEN COMPLEMENTARITY
分子名称: IGG1-KAPPA DB3 FAB (HEAVY CHAIN), IGG1-KAPPA DB3 FAB (LIGHT CHAIN), PROGESTERONE-11-ALPHA-OL-HEMISUCCINATE
著者Arevalo, J.H, Wilson, I.A.
登録日1993-08-24
公開日1994-01-31
最終更新日2024-06-05
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献Molecular basis of crossreactivity and the limits of antibody-antigen complementarity.
Nature, 365, 1993
3OMZ
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BU of 3omz by Molmil
Crystal structure of MICA-specific human gamma delta T cell receptor
分子名称: human Vdelta1 gamma delta T cell receptor delta1A/B-3
著者Xu, B, Holmes, M.A, Strong, R.K.
登録日2010-08-27
公開日2011-01-26
最終更新日2011-07-13
実験手法X-RAY DIFFRACTION (3.04 Å)
主引用文献Crystal structure of a {gamma}{delta} T-cell receptor specific for the human MHC class I homolog MICA.
Proc.Natl.Acad.Sci.USA, 108, 2011
4E1S
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BU of 4e1s by Molmil
X-ray crystal structure of the transmembrane beta-domain from intimin from EHEC strain O157:H7
分子名称: (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, (2S)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, CHLORIDE ION, ...
著者Fairman, J.W, Dautin, N, Wojtowicz, D, Wei, L, Noinaj, N, Barnard, T.J, Udho, E, Finkelstein, A, Przytycka, T.M, Cherezov, V, Buchanan, S.K.
登録日2012-03-07
公開日2012-06-13
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.855 Å)
主引用文献Crystal Structures of the Outer Membrane Domain of Intimin and Invasin from Enterohemorrhagic E. coli and Enteropathogenic Y. pseudotuberculosis.
Structure, 20, 2012
4E1T
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BU of 4e1t by Molmil
X-ray crystal structure of the transmembrane beta-domain from invasin from Yersinia pseudotuberculosis
分子名称: (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, (2S)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, Invasin
著者Fairman, J.W, Dautin, N, Wojtowicz, D, Wei, L, Noinaj, N, Barnard, T.J, Udho, E, Finkelstein, A, Przytycka, T.M, Cherezov, V, Buchanan, S.K.
登録日2012-03-07
公開日2012-06-13
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (2.263 Å)
主引用文献Crystal Structures of the Outer Membrane Domain of Intimin and Invasin from Enterohemorrhagic E. coli and Enteropathogenic Y. pseudotuberculosis.
Structure, 20, 2012

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