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2D8T
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BU of 2d8t by Molmil
Solution structure of the RING domain of the human RING finger protein 146
Descriptor: RING finger protein 146, ZINC ION
Authors:Miyamoto, K, Kigawa, T, Sato, M, Koshiba, S, Inoue, M, Yokoyama, S, RIKEN Structural Genomics/Proteomics Initiative (RSGI)
Deposit date:2005-12-08
Release date:2006-06-08
Last modified:2024-05-29
Method:SOLUTION NMR
Cite:Solution structure of the RING domain of the human RING finger protein 146
To be Published
5U8R
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BU of 5u8r by Molmil
Structure of the ectodomain of the human Type 1 insulin-like growth factor receptor
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, D-MALATE, ...
Authors:Lawrence, M, Xu, Y.
Deposit date:2016-12-14
Release date:2018-02-28
Last modified:2024-10-30
Method:X-RAY DIFFRACTION (3.00001621 Å)
Cite:How ligand binds to the type 1 insulin-like growth factor receptor.
Nat Commun, 9, 2018
1Y4K
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BU of 1y4k by Molmil
Lipoxygenase-1 (Soybean) at 100K, N694G Mutant
Descriptor: 1,2-ETHANEDIOL, ACETATE ION, FE (II) ION, ...
Authors:Chruszcz, M, Segraves, E, Holman, T.R, Minor, W.
Deposit date:2004-12-01
Release date:2005-12-13
Last modified:2023-08-23
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Kinetic, spectroscopic, and structural investigations of the soybean lipoxygenase-1 first-coordination sphere mutant, Asn694Gly.
Biochemistry, 45, 2006
4CJG
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BU of 4cjg by Molmil
Spectroscopically validated structure of the 5 coordinate proximal NO adduct of cytochrome c prime from Alcaligenes xylosoxidans
Descriptor: CYTOCHROME C', HEME C, NITRIC OXIDE
Authors:Kekilli, D, Dworkowski, F, Fuchs, M, Antonyuk, S, Hough, M.A.
Deposit date:2013-12-20
Release date:2014-05-21
Last modified:2024-10-23
Method:X-RAY DIFFRACTION (1.26 Å)
Cite:Fingerprinting Redox and Ligand States in Haemprotein Crystal Structures Using Resonance Raman Spectroscopy.
Acta Crystallogr.,Sect.D, 70, 2014
4CSY
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BU of 4csy by Molmil
E-selectin lectin, EGF-like and two SCR domains complexed with Sialyl Lewis X
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, E-SELECTIN, ...
Authors:Preston, R.C, Jakob, R.P, Binder, F.P.C, Sager, C.P, Ernst, B, Maier, T.
Deposit date:2014-03-11
Release date:2014-09-24
Last modified:2024-11-13
Method:X-RAY DIFFRACTION (2.41 Å)
Cite:E-Selectin Ligand Complexes Adopt an Extended High-Affinity Conformation.
J.Mol.Cell.Biol., 8, 2016
1T0V
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BU of 1t0v by Molmil
NMR Solution Structure of the Engineered Lipocalin FluA(R95K) Northeast Structural Genomics Target OR17
Descriptor: BILIN-BINDING PROTEIN
Authors:Mills, J.L, Liu, G, Skerra, A, Szyperski, T, Northeast Structural Genomics Consortium (NESG)
Deposit date:2004-04-13
Release date:2005-06-14
Last modified:2024-10-30
Method:SOLUTION NMR
Cite:NMR structure and dynamics of the engineered fluorescein-binding lipocalin FluA reveal rigidification of beta-barrel and variable loops upon enthalpy-driven ligand binding.
Biochemistry, 48, 2009
4LM5
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BU of 4lm5 by Molmil
Crystal structure of Pim1 in complex with 2-{4-[(3-aminopropyl)amino]quinazolin-2-yl}phenol (resulting from displacement of SKF86002)
Descriptor: 2-{4-[(3-aminopropyl)amino]quinazolin-2-yl}phenol, GLYCEROL, Serine/threonine-protein kinase pim-1
Authors:Parker, L.J, Tanaka, A, Handa, N, Honda, K, Tomabechi, Y, Shirouzu, M, Yokoyama, S.
Deposit date:2013-07-10
Release date:2014-02-12
Last modified:2024-11-13
Method:X-RAY DIFFRACTION (2.25 Å)
Cite:Kinase crystal identification and ATP-competitive inhibitor screening using the fluorescent ligand SKF86002.
Acta Crystallogr.,Sect.D, 70, 2014
2PF8
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BU of 2pf8 by Molmil
Complex of Aldose Reductase with NADP+ and simaltaneously bound competetive inhibitors Fidarestat and IDD594. Concentration of Fidarestat in soaking solution is equal to concentration of IDD594.
Descriptor: (2S,4S)-2-AMINOFORMYL-6-FLUORO-SPIRO[CHROMAN-4,4'-IMIDAZOLIDINE]-2',5'-DIONE, Aldose reductase, CHLORIDE ION, ...
Authors:Petrova, T, Hazemann, I, Cousido, A, Mitschler, A, Ginell, S, Joachimiak, A, Podjarny, A.
Deposit date:2007-04-04
Release date:2007-04-17
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (0.85 Å)
Cite:Crystal packing modifies ligand binding affinity: The case of aldose reductase.
Proteins, 80, 2012
2DIP
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BU of 2dip by Molmil
Solution structure of the ZZ domain of Zinc finger SWIM domain containing protein 2
Descriptor: ZINC ION, Zinc finger SWIM domain-containing protein 2
Authors:Dang, W, Muto, Y, Inoue, M, Kigawa, T, Shirouzu, M, Terada, T, Yokoyama, S, RIKEN Structural Genomics/Proteomics Initiative (RSGI)
Deposit date:2006-03-30
Release date:2006-09-30
Last modified:2024-05-29
Method:SOLUTION NMR
Cite:Solution structure of the ZZ domain of Zinc finger SWIM domain containing protein 2
To be Published
3RYM
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BU of 3rym by Molmil
Structure of Oxidized M98K mutant of Amicyanin
Descriptor: Amicyanin, ZINC ION
Authors:Sukumar, N, Davidson, V.L.
Deposit date:2011-05-11
Release date:2011-11-23
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (1.7039 Å)
Cite:Replacement of the axial copper ligand methionine with lysine in amicyanin converts it to a zinc-binding protein that no longer binds copper.
J.Inorg.Biochem., 105, 2011
2HR7
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BU of 2hr7 by Molmil
Insulin receptor (domains 1-3)
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Garrett, T.P.J, Ward, C.W.
Deposit date:2006-07-19
Release date:2006-08-15
Last modified:2024-10-09
Method:X-RAY DIFFRACTION (2.32 Å)
Cite:The first three domains of the insulin receptor differ structurally from the insulin-like growth factor 1 receptor in the regions governing ligand specificity.
Proc.Natl.Acad.Sci.Usa, 103, 2006
2ECT
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BU of 2ect by Molmil
Solution structure of the Zinc finger, C3HC4 type (RING finger) domain of RING finger protein 126
Descriptor: RING finger protein 126, ZINC ION
Authors:Abe, H, Miyamoto, K, Tochio, N, Kigawa, T, Yokoyama, S, RIKEN Structural Genomics/Proteomics Initiative (RSGI)
Deposit date:2007-02-14
Release date:2008-02-19
Last modified:2024-05-29
Method:SOLUTION NMR
Cite:Solution structure of the Zinc finger, C3HC4 type (RING finger) domain of RING finger protein 126
To be Published
7EWK
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BU of 7ewk by Molmil
Barley photosystem I-LHCI-Lhca6 supercomplex
Descriptor: (3R,3'R,6S)-4,5-DIDEHYDRO-5,6-DIHYDRO-BETA,BETA-CAROTENE-3,3'-DIOL, (3S,5R,6S,3'S,5'R,6'S)-5,6,5',6'-DIEPOXY-5,6,5',6'- TETRAHYDRO-BETA,BETA-CAROTENE-3,3'-DIOL, 1,2-DIPALMITOYL-PHOSPHATIDYL-GLYCEROLE, ...
Authors:Wang, W.D, Shen, L, Tang, K, Han, G.Y, Zhang, X, Shen, J.R.
Deposit date:2021-05-25
Release date:2022-01-12
Last modified:2024-06-05
Method:ELECTRON MICROSCOPY (3.88 Å)
Cite:Architecture of the chloroplast PSI-NDH supercomplex in Hordeum vulgare.
Nature, 601, 2022
3D95
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BU of 3d95 by Molmil
Crystal Structure of the R132K:Y134F:R111L:L121E:T54V Mutant of Apo-Cellular Retinoic Acid Binding Protein Type II at 1.20 Angstroms Resolution
Descriptor: Cellular retinoic acid-binding protein 2
Authors:Vaezeslami, S, Geiger, J.H.
Deposit date:2008-05-26
Release date:2008-07-22
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (1.2 Å)
Cite:Structural analysis of site-directed mutants of cellular retinoic acid-binding protein II addresses the relationship between structural integrity and ligand binding.
Acta Crystallogr.,Sect.D, 64, 2008
4Z7H
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BU of 4z7h by Molmil
Crystal structure of human IRE1 cytoplasmic kinase-RNase region - complex with imidazopyridine compound 3
Descriptor: 2-methoxy-4-[6-(propan-2-ylamino)imidazo[1,2-b]pyridazin-3-yl]benzamide, SULFATE ION, Serine/threonine-protein kinase/endoribonuclease IRE1
Authors:Joshi, A, Bayliss, R.
Deposit date:2015-04-07
Release date:2015-05-27
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:Molecular mechanisms of human IRE1 activation through dimerization and ligand binding.
Oncotarget, 6, 2015
2ZSD
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BU of 2zsd by Molmil
Pantothenate kinase from Mycobacterium tuberculosis (MtPanK) in complex with Coenzyme A
Descriptor: 1,2-ETHANEDIOL, COENZYME A, GLYCEROL, ...
Authors:Chetnani, B, Das, S, Kumar, P, Surolia, A, Vijayan, M.
Deposit date:2008-09-05
Release date:2009-07-21
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Mycobacterium tuberculosis pantothenate kinase: possible changes in location of ligands during enzyme action
Acta Crystallogr.,Sect.D, 65, 2009
2ZSA
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BU of 2zsa by Molmil
Pantothenate kinase from Mycobacterium tuberculosis (MtPanK) in complex with ADP and Phosphopantothenate
Descriptor: ADENOSINE-5'-DIPHOSPHATE, CHLORIDE ION, GLYCEROL, ...
Authors:Chetnani, B, Das, S, Kumar, P, Surolia, A, Vijayan, M.
Deposit date:2008-09-04
Release date:2009-07-21
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Mycobacterium tuberculosis pantothenate kinase: possible changes in location of ligands during enzyme action
Acta Crystallogr.,Sect.D, 65, 2009
2ZSR
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BU of 2zsr by Molmil
Carbonmonoxy Sperm Whale Myoglobin at 120 K: Laser on [450 min]
Descriptor: CARBON MONOXIDE, Myoglobin, PROTOPORPHYRIN IX CONTAINING FE, ...
Authors:Tomita, A, Sato, T, Ichiyanagi, K, Nozawa, S, Ichikawa, H, Chollet, M, Kawai, F, Park, S.-Y, Koshihara, S, Adachi, S.
Deposit date:2008-09-17
Release date:2009-02-24
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (1.21 Å)
Cite:Visualizing breathing motion of internal cavities in concert with ligand migration in myoglobin
Proc.Natl.Acad.Sci.USA, 106, 2009
2ZT0
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BU of 2zt0 by Molmil
Carbonmonoxy Sperm Whale Myoglobin at 100 K: Laser on [750 min]
Descriptor: CARBON MONOXIDE, Myoglobin, PROTOPORPHYRIN IX CONTAINING FE, ...
Authors:Tomita, A, Sato, T, Ichiyanagi, K, Nozawa, S, Ichikawa, H, Chollet, M, Kawai, F, Park, S.-Y, Koshihara, S, Adachi, S.
Deposit date:2008-09-18
Release date:2009-02-24
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (1.21 Å)
Cite:Visualizing breathing motion of internal cavities in concert with ligand migration in myoglobin
Proc.Natl.Acad.Sci.USA, 106, 2009
2ZSY
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BU of 2zsy by Molmil
Carbonmonoxy Sperm Whale Myoglobin at 140 K: Laser on [750 min]
Descriptor: CARBON MONOXIDE, Myoglobin, PROTOPORPHYRIN IX CONTAINING FE, ...
Authors:Tomita, A, Sato, T, Ichiyanagi, K, Nozawa, S, Ichikawa, H, Chollet, M, Kawai, F, Park, S.-Y, Koshihara, S, Adachi, S.
Deposit date:2008-09-18
Release date:2009-02-24
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (1.21 Å)
Cite:Visualizing breathing motion of internal cavities in concert with ligand migration in myoglobin.
Proc.Natl.Acad.Sci.USA, 106, 2009
7F1M
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BU of 7f1m by Molmil
Marburg virus nucleoprotein-RNA complex
Descriptor: Nucleoprotein, RNA (5'-R(P*UP*UP*UP*UP*UP*U)-3')
Authors:Fujita, F.Y, Sugita, Y, Takamatsu, Y, Houri, K, Muramoto, Y, Nakano, M, Tsunoda, Y, Igarashi, M, Becker, S, Noda, T.
Deposit date:2021-06-09
Release date:2022-03-09
Last modified:2024-06-12
Method:ELECTRON MICROSCOPY (3.1 Å)
Cite:Structural insight into Marburg virus nucleoprotein-RNA complex formation.
Nat Commun, 13, 2022
7ER2
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BU of 7er2 by Molmil
Crystal structure of EGFR 696-1022 T790M/C797S in complex with LS_2_40
Descriptor: 5-chloranyl-N2-[3-chloranyl-4-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]phenyl]-N4-(2-dimethylphosphorylphenyl)pyrimidine-2,4-diamine, Epidermal growth factor receptor
Authors:Zhu, S.J, Yun, C.H.
Deposit date:2021-05-05
Release date:2022-04-20
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.662 Å)
Cite:Optimization of Brigatinib as New Wild-Type Sparing Inhibitors of EGFR T790M/C797S Mutants.
Acs Med.Chem.Lett., 13, 2022
5UFO
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BU of 5ufo by Molmil
Structure of RORgt bound to
Descriptor: (S)-{4-chloro-2-methoxy-3-[4-(methylsulfonyl)phenyl]quinolin-6-yl}(1-methyl-1H-imidazol-5-yl)[6-(trifluoromethyl)pyridin-3-yl]methanol, Nuclear receptor ROR-gamma
Authors:Spurlino, J.
Deposit date:2017-01-05
Release date:2017-04-05
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (2.802 Å)
Cite:Identification and structure activity relationships of quinoline tertiary alcohol modulators of ROR gamma t.
Bioorg. Med. Chem. Lett., 27, 2017
2ZT1
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BU of 2zt1 by Molmil
Carbonmonoxy Sperm Whale Myoglobin at 100 K: Laser on [810 min]
Descriptor: CARBON MONOXIDE, Myoglobin, PROTOPORPHYRIN IX CONTAINING FE, ...
Authors:Tomita, A, Sato, T, Ichiyanagi, K, Nozawa, S, Ichikawa, H, Chollet, M, Kawai, F, Park, S.-Y, Koshihara, S, Adachi, S.
Deposit date:2008-09-18
Release date:2009-02-24
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (1.21 Å)
Cite:Visualizing breathing motion of internal cavities in concert with ligand migration in myoglobin
Proc.Natl.Acad.Sci.USA, 106, 2009
5UHI
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BU of 5uhi by Molmil
Structure of RORgt bound to
Descriptor: (R)-(4-chloro-2-methoxy-3-{[4-(1H-pyrazol-1-yl)phenyl]methyl}quinolin-6-yl)(4-chlorophenyl)(1-methyl-1H-imidazol-5-yl)methanol, Nuclear receptor ROR-gamma
Authors:Spurlino, J, Abad, M.
Deposit date:2017-01-11
Release date:2017-04-05
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (3.198 Å)
Cite:Identification and structure activity relationships of quinoline tertiary alcohol modulators of ROR gamma t.
Bioorg. Med. Chem. Lett., 27, 2017

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