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4YU0
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BU of 4yu0 by Molmil
Crystal structure of a tetramer of GluA2 TR mutant ligand binding domains bound with glutamate at 1.26 Angstrom resolution
Descriptor: DI(HYDROXYETHYL)ETHER, GLUTAMIC ACID, Glutamate receptor 2,Glutamate receptor 2, ...
Authors:Chebli, M, Salazar, H, Baranovic, J, Carbone, A.L, Ghisi, V, Faelber, K, Lau, A.Y, Daumke, O, Plested, A.J.R.
Deposit date:2015-03-18
Release date:2016-01-13
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.26 Å)
Cite:Crystal structure of the tetrameric GluA2 ligand-binding domain in complex with glutamate at 1.26 Angstroms resolution
To Be Published
5E6O
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BU of 5e6o by Molmil
Crystal structure of C. elegans LGG-2 bound to an AIM/LIR motif
Descriptor: Protein lgg-2, TRP-GLU-GLU-LEU
Authors:Qi, X, Ren, J.Q, Wu, F, Zhang, H, Feng, W.
Deposit date:2015-10-10
Release date:2016-01-06
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Structural Basis of the Differential Function of the Two C. elegans Atg8 Homologs, LGG-1 and LGG-2, in Autophagy
Mol.Cell, 60, 2015
6BH8
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BU of 6bh8 by Molmil
Crystal structure of ZMPSTE24 in complex with phosphoramidon
Descriptor: (HYDROXYETHYLOXY)TRI(ETHYLOXY)OCTANE, CAAX prenyl protease 1 homolog, N-ALPHA-L-RHAMNOPYRANOSYLOXY(HYDROXYPHOSPHINYL)-L-LEUCYL-L-TRYPTOPHAN, ...
Authors:Goblirsch, B.R, Arachea, B.T, Wiener, M.C.
Deposit date:2017-10-30
Release date:2018-08-15
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (3.85 Å)
Cite:Phosphoramidon inhibits the integral membrane protein zinc metalloprotease ZMPSTE24.
Acta Crystallogr D Struct Biol, 74, 2018
2VA5
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BU of 2va5 by Molmil
X-ray crystal structure of beta secretase complexed with compound 8c
Descriptor: 2-amino-6-[2-(1H-indol-6-yl)ethyl]pyrimidin-4(3H)-one, BETA-SECRETASE 1 ., IODIDE ION
Authors:Edwards, P.D, Albert, J.S, Sylvester, M, Aharony, D, Andisik, D, Callaghan, O, Campbell, J.B, Carr, R.A, Chessari, G, Congreve, M, Frederickson, M, Folmer, R.H.A, Geschwindner, S, Koether, G, Kolmodin, K, Krumrine, J, Mauger, R.C, Murray, C.W, Olsson, L, Patel, S, Spear, N, Tian, G.
Deposit date:2007-08-30
Release date:2007-11-13
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (2.75 Å)
Cite:Application of Fragment-Based Lead Generation to the Discovery of Novel, Cyclic Amidine Beta-Secretase Inhibitors with Nanomolar Potency, Cellular Activity, and High Ligand Efficiency.
J.Med.Chem., 50, 2007
2V1P
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BU of 2v1p by Molmil
Crystal Structure of the apo form of Y74F mutant E. coli tryptophanase
Descriptor: CHLORIDE ION, MAGNESIUM ION, TRYPTHOPANASE
Authors:Kogan, A, Gdalevsky, G.Y, Cohen-Luria, R, Goldgur, Y, Parola, A.H, Almog, O.
Deposit date:2007-05-28
Release date:2008-06-10
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Conformational Changes and Loose Packing Promote E. Coli Tryptophanase Cold Lability.
Bmc Struct.Biol., 9, 2009
1K9A
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BU of 1k9a by Molmil
Crystal structure analysis of full-length carboxyl-terminal Src kinase at 2.5 A resolution
Descriptor: Carboxyl-terminal Src kinase
Authors:Ogawa, A, Takayama, Y, Nagata, A, Chong, K.T, Takeuchi, S, Sakai, H, Nakagawa, A, Nada, S, Okada, M, Tsukihara, T.
Deposit date:2001-10-28
Release date:2002-03-20
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Structure of the carboxyl-terminal Src kinase, Csk.
J.Biol.Chem., 277, 2002
2CG6
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BU of 2cg6 by Molmil
Second and third fibronectin type I module pair (crystal form I).
Descriptor: HUMAN FIBRONECTIN, SULFATE ION
Authors:Rudino-Pinera, E, Ravelli, R.B.G, Sheldrick, G.M, Nanao, M.H, Werner, J.M, Schwarz-Linek, U, Potts, J.R, Garman, E.F.
Deposit date:2006-02-27
Release date:2007-02-27
Last modified:2017-08-30
Method:X-RAY DIFFRACTION (1.55 Å)
Cite:The Solution and Crystal Structures of a Module Pair from the Staphylococcus Aureus-Binding Site of Human Fibronectin-A Tale with a Twist.
J.Mol.Biol., 368, 2007
4HH8
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BU of 4hh8 by Molmil
Crystal structure of bovine butyrophilin
Descriptor: Butyrophilin subfamily 1 member A1
Authors:Eichinger, A, Skerra, A.
Deposit date:2012-10-09
Release date:2013-11-13
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:The extracellular region of bovine butyrophilin exhibits high structural similarity to human myelin oligodendrocyte glycoprotein
To be Published
1K9T
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BU of 1k9t by Molmil
Chitinase a complexed with tetra-N-acetylchitotriose
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CHITINASE A
Authors:Prag, G, Tucker, P.A, Oppenheim, A.B.
Deposit date:2001-10-30
Release date:2002-11-06
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Complex Structures of Chitinase A Mutant with Oligonag Provide Insight Into the Enzymatic Mechanism
To be Published
6BQL
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BU of 6bql by Molmil
Crystal Structure of the Human CAMKK2B in complex with TAE-226
Descriptor: 1,2-ETHANEDIOL, 2-({5-CHLORO-2-[(2-METHOXY-4-MORPHOLIN-4-YLPHENYL)AMINO]PYRIMIDIN-4-YL}AMINO)-N-METHYLBENZAMIDE, ACETATE ION, ...
Authors:Counago, R.M, de Souza, G.P, dos Reis, C.V, Ramos, P.Z, Drewry, D, Massirer, K.B, Arruda, P, Edwards, A.M, Elkins, J.M, Structural Genomics Consortium (SGC)
Deposit date:2017-11-28
Release date:2017-12-13
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2 Å)
Cite:Crystal Structure of the Human CAMKK2B in complex with TAE-226
To Be Published
3F19
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BU of 3f19 by Molmil
Crystal structure of the catalytic domain of human MMP12 complexed with the inhibitor 4-fluoro-N-(2-nitroso-2-oxoethyl)benzenesulfonamide
Descriptor: 2-[(4-fluorophenyl)sulfonylamino]-N-oxo-ethanamide, CALCIUM ION, Macrophage metalloelastase, ...
Authors:Calderone, V.
Deposit date:2008-10-27
Release date:2008-11-18
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (1.13 Å)
Cite:Exploring the subtleties of drug-receptor interactions: the case of matrix metalloproteinases.
J.Am.Chem.Soc., 129, 2007
1KBU
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BU of 1kbu by Molmil
CRE RECOMBINASE BOUND TO A LOXP HOLLIDAY JUNCTION
Descriptor: CRE RECOMBINASE, LOXP
Authors:Martin, S.S, Pulido, E, Chu, V.C, Lechner, T, Baldwin, E.P.
Deposit date:2001-11-06
Release date:2002-06-07
Last modified:2023-08-16
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:The Order of Strand Exchanges in Cre-LoxP Recombination and its Basis Suggested by the Crystal Structure of a Cre-LoxP Holliday Junction Complex
J.Mol.Biol., 319, 2002
5DPE
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BU of 5dpe by Molmil
Thermolysin in complex with inhibitor.
Descriptor: CALCIUM ION, DIMETHYL SULFOXIDE, GLYCEROL, ...
Authors:Krimmer, S.G, Heine, A, Klebe, G.
Deposit date:2015-09-12
Release date:2015-10-28
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.34 Å)
Cite:Thermodynamics of protein-ligand interactions as a reference for computational analysis: how to assess accuracy, reliability and relevance of experimental data.
J. Comput. Aided Mol. Des., 29, 2015
4GQH
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BU of 4gqh by Molmil
The Conformations and Interactions of the Four-Layer Aggregate Revealed by X-ray Crystallography Diffraction Implied the Importance of Peptides at Opposite Ends in Their Assemblies
Descriptor: Capsid protein
Authors:Li, X.Y, Song, B.A, Hu, D.Y, Chen, X, Wang, Z.C, Zeng, M.J, Yu, D.D, Chen, Z, Jin, L.H, Yang, S.
Deposit date:2012-08-23
Release date:2013-08-28
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (3.06 Å)
Cite:The Conformations and Interactions of the Four-Layer Aggregate Revealed by X-ray Crystallography Diffraction Implied the Importance of Peptides at Opposite Ends in Their Assemblies
To be Published
4YAX
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BU of 4yax by Molmil
Crystal structure of TRIM24 PHD-bromodomain complexed with N-[6-(4-methoxyphenoxy)-1,3-dimethyl-2-oxo-2,3-dihydro-1H-1,3-benzodiazol-5-yl]benzenesulfonamide (5g)
Descriptor: GLYCEROL, N-[6-(4-methoxyphenoxy)-1,3-dimethyl-2-oxo-2,3-dihydro-1H-benzimidazol-5-yl]benzenesulfonamide, SULFATE ION, ...
Authors:Poncet-Montange, G, Palmer, W, Jones, P.
Deposit date:2015-02-18
Release date:2015-06-24
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.25 Å)
Cite:Structure-Guided Design of IACS-9571, a Selective High-Affinity Dual TRIM24-BRPF1 Bromodomain Inhibitor.
J.Med.Chem., 59, 2016
5DPX
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BU of 5dpx by Molmil
1,2,4-Triazole-3-thione compounds as inhibitors of L1, di-zinc metallo-beta-lactamases.
Descriptor: 5-(2-methylphenyl)-3H-1,2,4-triazole-3-thione, Metallo-beta-lactamase L1 type 3, SULFATE ION, ...
Authors:Nauton, L, Garau, G, Khan, R, Dideberg, O.
Deposit date:2015-09-14
Release date:2017-01-11
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:1,2,4-Triazole-3-thione Compounds as Inhibitors of Dizinc Metallo-beta-lactamases.
ChemMedChem, 12, 2017
2WJU
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BU of 2wju by Molmil
Glutathione transferase A2-2 in complex with glutathione
Descriptor: GLUTATHIONE, GLUTATHIONE-S-TRANSFERASE A2-2
Authors:Tars, K, Olin, B, Mannervik, B.
Deposit date:2009-05-29
Release date:2009-06-09
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Structural Basis for Featuring of Steroid Isomerase Activity in Alpha Class Glutathione Transferases.
J.Mol.Biol., 397, 2010
5DQM
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BU of 5dqm by Molmil
Green/cyan WasCFP at pH 2.0
Descriptor: WasCFP_pH2
Authors:Pletnev, V.Z, Pletneva, N.V, Pletnev, S.V.
Deposit date:2015-09-14
Release date:2016-07-27
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.3 Å)
Cite:Crystal structure of pH and T dependent green fluorescent protein WasCFP with Trp based chromophore
Russ.J.Bioorganic Chem., 42 (6), 2016
4YC7
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BU of 4yc7 by Molmil
Crystal structure of human FMNL2 GBD-FH3 Domains bound to Cdc42-GppNHp
Descriptor: Cell division control protein 42 homolog, Formin-like protein 2, MAGNESIUM ION, ...
Authors:Kuhn, S, Geyer, M.
Deposit date:2015-02-19
Release date:2015-05-13
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:The structure of FMNL2-Cdc42 yields insights into the mechanism of lamellipodia and filopodia formation.
Nat Commun, 6, 2015
5DR1
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BU of 5dr1 by Molmil
Endothiapepsin in complex with fragment 278
Descriptor: 1,2-ETHANEDIOL, ACETATE ION, DIMETHYL SULFOXIDE, ...
Authors:Schiebel, J, Heine, A, Klebe, G.
Deposit date:2015-09-15
Release date:2016-09-28
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.45 Å)
Cite:Crystallographic Fragment Screening of an Entire Library
To Be Published
4GU8
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BU of 4gu8 by Molmil
Crystal Structure of Burkholderia oklahomensis agglutinin (BOA)
Descriptor: 2,3-DIHYDROXY-1,4-DITHIOBUTANE, Burkholderia oklahomensis agglutinin (BOA), GLYCEROL
Authors:Whitley, M.J, Furey, W, Gronenborn, A.M.
Deposit date:2012-08-29
Release date:2013-05-08
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Burkholderia oklahomensis agglutinin is a canonical two-domain OAA-family lectin: structures, carbohydrate binding and anti-HIV activity.
Febs J., 280, 2013
2CTT
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BU of 2ctt by Molmil
Solution structure of zinc finger domain from human DnaJ subfamily A menber 3
Descriptor: DnaJ homolog subfamily A member 3, ZINC ION
Authors:Kobayashi, N, Tochio, N, Saito, K, Koshiba, S, Inoue, M, Kigawa, T, Yokoyama, S, RIKEN Structural Genomics/Proteomics Initiative (RSGI)
Deposit date:2005-05-24
Release date:2005-11-24
Last modified:2024-05-29
Method:SOLUTION NMR
Cite:Solution structure of zinc finger domain from human DnaJ subfamily A menber 3
To be Published
2WIO
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BU of 2wio by Molmil
Structure of the histidine tagged, open cytochrome P450 Eryk from S. erythraea
Descriptor: ERYTHROMYCIN B/D C-12 HYDROXYLASE, PROTOPORPHYRIN IX CONTAINING FE
Authors:Savino, C, Montemiglio, L.C, Sciara, G, Miele, A.E, Kedrew, S.G, Gianni, S, Vallone, B.
Deposit date:2009-05-14
Release date:2009-07-21
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (2 Å)
Cite:Investigating the Structural Plasticity of a Cytochrome P450: Three-Dimensional Structures of P450 Eryk and Binding to its Physiological Substrate.
J.Biol.Chem., 284, 2009
3F36
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BU of 3f36 by Molmil
Apoferritin: complex with 2-isopropylphenol
Descriptor: 2-(1-methylethyl)phenol, CADMIUM ION, Ferritin light chain, ...
Authors:Vedula, L.S, Economou, N.J, Rossi, M.J, Eckenhoff, R.G, Loll, P.J.
Deposit date:2008-10-30
Release date:2009-07-14
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:A unitary anesthetic binding site at high resolution.
J.Biol.Chem., 284, 2009
2WM4
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BU of 2wm4 by Molmil
X-ray structure of Mycobacterium tuberculosis cytochrome P450 CYP124 in complex with phytanic acid
Descriptor: (3R,7S,11S)-3,7,11,15-tetramethylhexadecanoic acid, CALCIUM ION, PROTOPORPHYRIN IX CONTAINING FE, ...
Authors:Johnston, J.B, Kells, P.M, Podust, L.M, Ortiz de Montellano, P.R.
Deposit date:2009-06-30
Release date:2009-10-06
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (2.11 Å)
Cite:Biochemical and structural characterization of CYP124: a methyl-branched lipid omega-hydroxylase from Mycobacterium tuberculosis.
Proc. Natl. Acad. Sci. U.S.A., 106, 2009

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數據於2024-09-25公開中

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