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1KNG
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BU of 1kng by Molmil
Crystal structure of CcmG reducing oxidoreductase at 1.14 A
Descriptor: THIOL:DISULFIDE INTERCHANGE PROTEIN CYCY
Authors:Edeling, M.A, Guddat, L.W, Fabianek, R.A, Thony-Meyer, L, Martin, J.L.
Deposit date:2001-12-18
Release date:2002-07-17
Last modified:2024-10-30
Method:X-RAY DIFFRACTION (1.14 Å)
Cite:Structure of CcmG/DsbE at 1.14 A resolution: high-fidelity reducing activity in an indiscriminately oxidizing environment
Structure, 10, 2002
1KF5
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BU of 1kf5 by Molmil
Atomic Resolution Structure of RNase A at pH 7.1
Descriptor: pancreatic ribonuclease
Authors:Berisio, R, Sica, F, Lamzin, V.S, Wilson, K.S, Zagari, A, Mazzarella, L.
Deposit date:2001-11-19
Release date:2001-12-19
Last modified:2024-11-20
Method:X-RAY DIFFRACTION (1.15 Å)
Cite:Atomic resolution structures of ribonuclease A at six pH values.
Acta Crystallogr.,Sect.D, 58, 2002
3RZ4
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BU of 3rz4 by Molmil
Hen egg-white lysozyme in HEPES buffer at pH 7.5
Descriptor: 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, Lysozyme C
Authors:Peretoltchine, K, Bryson, S, Pai, E.F.
Deposit date:2011-05-11
Release date:2011-05-25
Last modified:2024-10-30
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Hen egg-white lysozyme in HEPES buffer at pH 7.5
To be Published
7FGM
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BU of 7fgm by Molmil
The complex crystals structure of the FAF1 UBL1_L-Hsp70 NBD with ADP and phosphate
Descriptor: ADENOSINE-5'-DIPHOSPHATE, FAS-associated factor 1, Heat shock 70 kDa protein 1A, ...
Authors:Kim, E.E, ParK, J.K, Shin, S.C.
Deposit date:2021-07-27
Release date:2022-07-27
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:The complex of Fas-associated factor 1 with Hsp70 stabilizes the adherens junction integrity by suppressing RhoA activation
J Mol Cell Biol, 14, 2022
7K0K
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BU of 7k0k by Molmil
Human serine palmitoyltransferase complex SPTLC1/SPLTC2/ssSPTa, 3KS-bound
Descriptor: 3-Dehydrosphinganine, Serine palmitoyltransferase 1, Serine palmitoyltransferase 2, ...
Authors:Wang, Y, Niu, Y, Zhang, Z, Zhao, H, Myasnikov, A, Kalathur, R, Lee, C.H.
Deposit date:2020-09-04
Release date:2021-02-24
Last modified:2025-05-14
Method:ELECTRON MICROSCOPY (2.6 Å)
Cite:Structural insights into the regulation of human serine palmitoyltransferase complexes.
Nat.Struct.Mol.Biol., 28, 2021
4PP9
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BU of 4pp9 by Molmil
ITK kinase domain with compound 1 (N-[1-(3-CYANOBENZYL)-1H-PYRAZOL-4-YL]-2H-INDAZOLE-3-CARBOXAMIDE)
Descriptor: N-[1-(3-cyanobenzyl)-1H-pyrazol-4-yl]-2H-indazole-3-carboxamide, SULFATE ION, Tyrosine-protein kinase ITK/TSK
Authors:Eigenbrot, C, Shia, S.
Deposit date:2014-02-26
Release date:2014-06-04
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.58 Å)
Cite:Discovery and optimization of indazoles as potent and selective interleukin-2 inducible T cell kinase (ITK) inhibitors.
Bioorg.Med.Chem.Lett., 24, 2014
1A5G
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BU of 1a5g by Molmil
HUMAN THROMBIN COMPLEXED WITH NOVEL SYNTHETIC PEPTIDE MIMETIC INHIBITOR AND HIRUGEN
Descriptor: (1S,7S)-7-amino-7-benzyl-N-[(1S)-4-carbamimidamido-1-{(1S)-1-hydroxy-2-oxo-2-[(2-phenylethyl)amino]ethyl}butyl]-8-oxohexahydro-1H-pyrazolo[1,2-a]pyridazine-1-carboxamide, ALPHA-THROMBIN (LARGE SUBUNIT), ALPHA-THROMBIN (SMALL SUBUNIT), ...
Authors:St Charles, R, Tulinsky, A, Kahn, M.
Deposit date:1998-02-16
Release date:1998-05-27
Last modified:2024-11-13
Method:X-RAY DIFFRACTION (2.06 Å)
Cite:Bound structures of novel P3-P1' beta-strand mimetic inhibitors of thrombin.
J.Med.Chem., 42, 1999
4L3L
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BU of 4l3l by Molmil
Crystal structures of human p70S6K1 kinase domain (Zinc anomalous)
Descriptor: 2-{[4-(5-ethylpyrimidin-4-yl)piperazin-1-yl]methyl}-5-(trifluoromethyl)-1H-benzimidazole, RPS6KB1 protein, ZINC ION
Authors:Wang, J, Zhong, C, Ding, J.
Deposit date:2013-06-06
Release date:2013-07-24
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Crystal structures of S6K1 provide insights into the regulation mechanism of S6K1 by the hydrophobic motif
Biochem.J., 454, 2013
3SBK
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BU of 3sbk by Molmil
Russell's viper venom serine proteinase, RVV-V (PPACK-bound form)
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, D-phenylalanyl-N-[(2S,3S)-6-{[amino(iminio)methyl]amino}-1-chloro-2-hydroxyhexan-3-yl]-L-prolinamide, Vipera russelli proteinase RVV-V gamma
Authors:Nakayama, D, Ben Ammar, Y, Takeda, S.
Deposit date:2011-06-05
Release date:2011-09-07
Last modified:2024-11-13
Method:X-RAY DIFFRACTION (2.55 Å)
Cite:Structural basis of coagulation factor V recognition for cleavage by RVV-V
Febs Lett., 585, 2011
1IS5
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BU of 1is5 by Molmil
Ligand free Congerin II
Descriptor: Congerin II
Authors:Shirai, T, Matsui, Y, Shionyu-Mitsuyama, C, Yamane, T, Kamiya, H, Ishii, C, Ogawa, T, Muramoto, K.
Deposit date:2001-11-12
Release date:2002-09-18
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (2 Å)
Cite:Crystal structure of a conger eel galectin (congerin II) at 1.45 A resolution: Implication for the accelerated evolution of a new ligand-binding site following gene duplication
J.MOL.BIOL., 321, 2002
4KXZ
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BU of 4kxz by Molmil
crystal structure of tgfb2 in complex with GC2008.
Descriptor: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 3,6,9,12,15,18,21,24-OCTAOXAHEXACOSAN-1-OL, GC1008 Heavy Chain, ...
Authors:Mathieu, M, Moulin, A.G, Wei, R.
Deposit date:2013-05-28
Release date:2014-09-24
Last modified:2024-11-06
Method:X-RAY DIFFRACTION (2.83 Å)
Cite:Structures of a pan-specific antagonist antibody complexed to different isoforms of TGF beta reveal structural plasticity of antibody-antigen interactions.
Protein Sci., 23, 2014
4ZUN
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BU of 4zun by Molmil
Crystal structure of acetylpolyamine amidohydrolase from Mycoplana ramosa in complex with a thiol inhibitor
Descriptor: 5-[(3-aminopropyl)amino]pentane-1-thiol, Acetylpolyamine aminohydrolase, GLYCEROL, ...
Authors:Decroos, C, Christianson, D.W.
Deposit date:2015-05-17
Release date:2015-07-29
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.4 Å)
Cite:Design, Synthesis, and Evaluation of Polyamine Deacetylase Inhibitors, and High-Resolution Crystal Structures of Their Complexes with Acetylpolyamine Amidohydrolase.
Biochemistry, 54, 2015
5U0G
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BU of 5u0g by Molmil
Identification of a New Zinc Binding Chemotype by Fragment Screening
Descriptor: (5R)-5-[(2,4-dimethoxyphenyl)methyl]-1,3-thiazolidine-2,4-dione, 1,2-ETHANEDIOL, Carbonic anhydrase 2, ...
Authors:Peat, T.S, Poulsen, S.A, Ren, B, Dolezal, O, Woods, L.A, Mujumdar, P, Chrysanthopoulos, P.K.
Deposit date:2016-11-23
Release date:2017-08-30
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.54 Å)
Cite:Identification of a New Zinc Binding Chemotype by Fragment Screening.
J. Med. Chem., 60, 2017
4L6A
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BU of 4l6a by Molmil
Structure of human mitochondrial 5'(3')-deoxyribonucleotidase
Descriptor: 5'(3')-deoxyribonucleotidase, mitochondrial, DI(HYDROXYETHYL)ETHER, ...
Authors:Pachl, P, Brynda, J, Rezacova, P.
Deposit date:2013-06-12
Release date:2014-02-12
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.4 Å)
Cite:Structures of human cytosolic and mitochondrial nucleotidases: implications for structure-based design of selective inhibitors.
Acta Crystallogr. D Biol. Crystallogr., 70, 2014
4PTC
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BU of 4ptc by Molmil
Structure of a carboxamide compound (3) (2-{2-[(CYCLOPROPYLCARBONYL)AMINO]PYRIDIN-4-YL}-4-OXO-4H-1LAMBDA~4~,3-THIAZOLE-5-CARBOXAMIDE) to GSK3b
Descriptor: 2-[2-(cyclopropylcarbonylamino)pyridin-4-yl]-4-methoxy-1,3-thiazole-5-carboxamide, Glycogen synthase kinase-3 beta
Authors:Lewis, H.A, Sivaprakasam, P, Kish, K, Pokross, M, Dubowchik, G.M.
Deposit date:2014-03-10
Release date:2015-04-08
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.711 Å)
Cite:Discovery of new acylaminopyridines as GSK-3 inhibitors by a structure guided in-depth exploration of chemical space around a pyrrolopyridinone core.
Bioorg.Med.Chem.Lett., 25, 2015
2WB5
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BU of 2wb5 by Molmil
GlcNAcstatins are nanomolar inhibitors of human O-GlcNAcase inducing cellular hyper-O-GlcNAcylation
Descriptor: (5R,6R,7R,8S)-6,7-dihydroxy-5-(hydroxymethyl)-2-(2-phenylethyl)-8-(propanoylamino)-5,6,7,8-tetrahydro-1H-imidazo[1,2-a]pyridin-4-ium, CHLORIDE ION, O-GLCNACASE NAGJ, ...
Authors:Dorfmueller, H.C, Borodkin, V.S, Schimpl, M, van Aalten, D.M.F.
Deposit date:2009-02-20
Release date:2009-03-31
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (2.31 Å)
Cite:Glcnacstatins are Nanomolar Inhibitors of Human O-Glcnacase Inducing Cellular Hyper-O-Glcnacylation
Biochem.J., 420, 2009
3WCM
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BU of 3wcm by Molmil
The complex structure of HsSQS wtih ligand, ER119884
Descriptor: (3R)-3-{[2-benzyl-6-(3-methoxypropoxy)pyridin-3-yl]ethynyl}-1-azabicyclo[2.2.2]octan-3-ol, Squalene synthase
Authors:Shang, N, Li, Q, Ko, T.P, Chan, H.C, Huang, C.H, Ren, F, Zheng, Y, Zhu, Z, Chen, C.C, Guo, R.T.
Deposit date:2013-05-28
Release date:2014-06-18
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (2.06 Å)
Cite:Squalene synthase as a target for Chagas disease therapeutics.
Plos Pathog., 10, 2014
2WDA
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BU of 2wda by Molmil
The X-ray structure of the Streptomyces coelicolor A3 Chondroitin AC Lyase in Complex with Chondroitin sulphate
Descriptor: 4-deoxy-alpha-L-threo-hex-4-enopyranuronic acid-(1-3)-2-acetamido-2-deoxy-4-O-sulfo-beta-D-galactopyranose, DI(HYDROXYETHYL)ETHER, FORMIC ACID, ...
Authors:Elmabrouk, Z.H, Taylor, E.J, Vincent, F, Smith, N.L, Turkenburg, J.P, Davies, G.J, Black, G.W.
Deposit date:2009-03-23
Release date:2010-04-21
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Crystal Structures of a Family 8 Polysaccharide Lyase Reveal Open and Highly Occluded Substrate-Binding Cleft Conformations.
Proteins, 79, 2011
2W59
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BU of 2w59 by Molmil
STRUCTURE OF AN AVIAN IGY-FC 3-4 FRAGMENT
Descriptor: GLYCEROL, IGY FCU3-4, alpha-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose
Authors:Fabiane, S.M, Taylor, A.I, Sutton, B.J, Calvert, R.A.
Deposit date:2008-12-08
Release date:2009-01-13
Last modified:2024-10-16
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:The Crystal Structure of an Avian Igy-Fc Fragment Reveals Conservation with Both Mammalian Igg and Ige.
Biochemistry, 48, 2009
4CH6
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BU of 4ch6 by Molmil
Structure of pyrrolysyl-tRNA synthetase in complex with adenylated propargyloxycarbonyl lysine
Descriptor: (S)-2-amino-6-(((prop-2-yn-1-yloxy)carbonyl)amino)hexanoic (((2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl)methyl phosphoric)anhydride, 1,2-ETHANEDIOL, MAGNESIUM ION, ...
Authors:Fluegel, V, Vrabel, M, Schneider, S.
Deposit date:2013-11-28
Release date:2014-03-19
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (2.05 Å)
Cite:Structural Basis for the Site-Specific Incorporation of Lysine Derivatives Into Proteins.
Plos One, 9, 2014
7JVY
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BU of 7jvy by Molmil
Cellular retinol-binding protein 2 (CRBP2) in complex with 2-arachidonylglyceryl ether
Descriptor: 2-{[(5Z,8Z,11Z,14Z)-icosa-5,8,11,14-tetraen-1-yl]oxy}propane-1,3-diol, Retinol-binding protein 2
Authors:Silvaroli, J.A, Banarjee, S, Golczak, M.
Deposit date:2020-08-24
Release date:2021-03-10
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.3 Å)
Cite:Molecular basis for the interaction of cellular retinol binding protein 2 (CRBP2) with nonretinoid ligands.
J.Lipid Res., 62, 2021
4CJP
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BU of 4cjp by Molmil
Interrogating HIV integrase for compounds that bind- a SAMPL challenge
Descriptor: 5-[(2S)-4-methyl-2-[(pyridin-3-ylcarbonylamino)methyl]pentyl]-1,3-benzodioxole-4-carboxylic acid, CHLORIDE ION, INTEGRASE, ...
Authors:Peat, T.S.
Deposit date:2013-12-22
Release date:2014-01-08
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (2 Å)
Cite:Interrogating HIV Integrase for Compounds that Bind- a Sampl Challenge.
J.Comput.Aided Mol.Des., 28, 2014
4MRX
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BU of 4mrx by Molmil
Crystal Structure of Y138F obelin mutant from Obelia longissima at 1.72 Angstrom resolution
Descriptor: C2-HYDROPEROXY-COELENTERAZINE, Obelin
Authors:Natashin, P.V, Ding, W, Eremeeva, E.V, Markova, S.V, Lee, J, Vysotski, E.S, Liu, Z.J.
Deposit date:2013-09-17
Release date:2014-03-12
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (1.718 Å)
Cite:Structures of the Ca2+-regulated photoprotein obelin Y138F mutant before and after bioluminescence support the catalytic function of a water molecule in the reaction.
Acta Crystallogr.,Sect.D, 70, 2014
7K36
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BU of 7k36 by Molmil
Cryo-EM structure of STRIPAK complex
Descriptor: INOSITOL HEXAKISPHOSPHATE, MANGANESE (II) ION, MOB-like protein phocein, ...
Authors:Jeong, B.-C, Bai, X.C.
Deposit date:2020-09-10
Release date:2021-03-10
Last modified:2024-03-06
Method:ELECTRON MICROSCOPY (3.3 Å)
Cite:Cryo-EM structure of the Hippo signaling integrator human STRIPAK.
Nat.Struct.Mol.Biol., 28, 2021
5TRJ
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BU of 5trj by Molmil
CRYSTAL STRUCTURE OF THE HEPATITIS C VIRUS NS5B RNA-DEPENDENT RNA POLYMERASE IN COMPLEX WITH 2-{[2-(carboxymethoxy)benzene-1-carbonyl]amino}-3-[(4-chlorophenyl)methoxy]benzoic acid
Descriptor: (2E)-3-(4-{[(1-{[(13-cyclohexyl-6-oxo-6,7-dihydro-5H-indolo[1,2-d][1,4]benzodiazepin-10-yl)carbonyl]amino}cyclopentyl)carbonyl]amino}phenyl)prop-2-enoic acid, 2-{[2-(carboxymethoxy)benzene-1-carbonyl]amino}-3-[(4-chlorophenyl)methoxy]benzoic acid, RNA-DEPENDENT RNA POLYMERASE, ...
Authors:Sheriff, S.
Deposit date:2016-10-26
Release date:2016-11-30
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.57 Å)
Cite:Discovery and initial optimization of alkoxyanthranilic acid derivatives as inhibitors of HCV NS5B polymerase.
Bioorg. Med. Chem. Lett., 27, 2017

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数据于2025-11-26公开中

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