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6BF9
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BU of 6bf9 by Molmil
Cryo-EM structure of human insulin degrading enzyme in complex with FAB H11-E heavy chain, FAB H11-E light chain
Descriptor: Fab H11-E heavy chain, Fab H11-E light chain, Insulin-degrading enzyme
Authors:Liang, W.G, Zhang, Z, Bailey, L.J, Kossiakoff, A.A, Tan, Y.Z, Wei, H, Carragher, B, Potter, S.C, Tang, W.J.
Deposit date:2017-10-26
Release date:2018-02-07
Last modified:2021-04-28
Method:ELECTRON MICROSCOPY (7.2 Å)
Cite:Ensemble cryoEM elucidates the mechanism of insulin capture and degradation by human insulin degrading enzyme.
Elife, 7, 2018
3GGC
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BU of 3ggc by Molmil
Human hypoxanthine-guanine phosphoribosyltransferase in complex with 9-(2-phosphonoethoxyethyl)hypoxanthine
Descriptor: Hypoxanthine-guanine phosphoribosyltransferase, {2-[2-(6-oxo-1,6-dihydro-9H-purin-9-yl)ethoxy]ethyl}phosphonic acid
Authors:Guddat, L.W, Keough, D.T, Jersey, J.
Deposit date:2009-02-27
Release date:2009-08-18
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (2.78 Å)
Cite:Inhibition of hypoxanthine-guanine phosphoribosyltransferase by acyclic nucleoside phosphonates: a new class of antimalarial therapeutics.
J.Med.Chem., 52, 2009
2C6S
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BU of 2c6s by Molmil
human adenovirus penton base 2 12 chimera
Descriptor: ADENOVIRUS 2,12 PENTON BASE CHIMERA
Authors:Zubieta, C, Blanchoin, L, Cusack, S.
Deposit date:2005-11-11
Release date:2006-09-06
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (3.6 Å)
Cite:Structural and Biochemical Characterization of a Human Adenovirus 2/12 Penton Base Chimera.
FEBS J., 273, 2006
5CTE
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BU of 5cte by Molmil
Humanized yeast ACC carboxyltransferase domain bound to 2,2-dimethylpropyl (1S)-1-methyl-8-[(7-methyl-1H-indazol-5-yl)carbonyl]-2,8-diazaspiro[4.5]decane-2-carboxylate
Descriptor: 2,2-dimethylpropyl (1S)-1-methyl-8-[(7-methyl-1H-indazol-5-yl)carbonyl]-2,8-diazaspiro[4.5]decane-2-carboxylate, Acetyl-CoA carboxylase, SULFATE ION
Authors:Vajdos, F.F.
Deposit date:2015-07-23
Release date:2015-10-14
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (2.34 Å)
Cite:Discovery of spirocyclic-diamine inhibitors of mammalian acetyl CoA-carboxylase.
Bioorg.Med.Chem.Lett., 25, 2015
3FVY
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BU of 3fvy by Molmil
Crystal structure of human Dipeptidyl Peptidase III
Descriptor: CHLORIDE ION, Dipeptidyl-peptidase 3, MAGNESIUM ION, ...
Authors:Dong, A, Dobrovetsky, E, Seitova, A, Duncan, B, Crombet, L, Sundstrom, M, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Bochkarev, A, Cossar, D, Structural Genomics Consortium (SGC)
Deposit date:2009-01-16
Release date:2009-02-03
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Entropy-driven binding of opioid peptides induces a large domain motion in human dipeptidyl peptidase III.
Proc.Natl.Acad.Sci.USA, 109, 2012
1KI7
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BU of 1ki7 by Molmil
CRYSTAL STRUCTURE OF THYMIDINE KINASE FROM HERPES SIMPLEX VIRUS TYPE I COMPLEXED WITH 5-IODODEOXYURIDINE
Descriptor: 5-IODODEOXYURIDINE, SULFATE ION, THYMIDINE KINASE
Authors:Champness, J.N, Bennett, M.S, Wien, F, Visse, R, Summers, W.C, Sanderson, M.R.
Deposit date:1998-05-15
Release date:1998-12-02
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Exploring the active site of herpes simplex virus type-1 thymidine kinase by X-ray crystallography of complexes with aciclovir and other ligands.
Proteins, 32, 1998
2XK4
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BU of 2xk4 by Molmil
Structure of Nek2 bound to aminopyrazine compound 17
Descriptor: 4-[3-amino-6-(3,4,5-trimethoxyphenyl)pyrazin-2-yl]-2-ethoxybenzoic acid, CHLORIDE ION, SERINE/THREONINE-PROTEIN KINASE NEK2
Authors:Mas-Droux, C, Bayliss, R.
Deposit date:2010-07-07
Release date:2010-10-27
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Aminopyrazine Inhibitors Binding to an Unusual Inactive Conformation of the Mitotic Kinase Nek2: Sar and Structural Characterization.
J.Med.Chem., 53, 2010
2CG7
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BU of 2cg7 by Molmil
SECOND AND THIRD FIBRONECTIN TYPE I MODULE PAIR (CRYSTAL FORM II).
Descriptor: FIBRONECTIN
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:2023-12-13
Method:X-RAY DIFFRACTION (1.2 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
3FWG
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BU of 3fwg by Molmil
Ferric camphor bound Cytochrome P450cam, Arg365Leu, Glu366Gln, monoclinic crystal form
Descriptor: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, CAMPHOR, Camphor 5-monooxygenase, ...
Authors:Schlichting, I, Von Koenig, K, Aldag, C, Hilvert, D.
Deposit date:2009-01-18
Release date:2009-03-03
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (1.55 Å)
Cite:Probing the role of the proximal heme ligand in cytochrome P450cam by recombinant incorporation of selenocysteine.
Proc.Natl.Acad.Sci.USA, 106, 2009
1KIM
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BU of 1kim by Molmil
CRYSTAL STRUCTURE OF THYMIDINE KINASE FROM HERPES SIMPLEX VIRUS TYPE I COMPLEXED WITH DEOXYTHYMIDINE
Descriptor: SULFATE ION, THYMIDINE, THYMIDINE KINASE
Authors:Champness, J.N, Bennett, M.S, Wien, F, Brown, D.G, Visse, R, Sandhu, G, Davies, A, Rizkallah, P.J, Melitz, C, Summers, W.C, Sanderson, M.R.
Deposit date:1997-11-12
Release date:1998-05-20
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (2.14 Å)
Cite:Exploring the active site of herpes simplex virus type-1 thymidine kinase by X-ray crystallography of complexes with aciclovir and other ligands.
Proteins, 32, 1998
2CM1
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BU of 2cm1 by Molmil
Crystal structure of the catalytic domain of serine threonine protein phosphatase PstP in complex with 2 Manganese ions.
Descriptor: GLYCEROL, MANGANESE (II) ION, SERINE THREONINE PROTEIN PHOSPHATASE PSTP
Authors:Wehenkel, A, Villarino, A, Bellinzoni, M, Alzari, P.M.
Deposit date:2006-05-03
Release date:2007-06-12
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (2 Å)
Cite:Structural and Binding Studies of the Three-Metal Center in Two Mycobacterial Ppm Ser/Thr Protein Phosphatases.
J.Mol.Biol., 374, 2007
6XUG
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BU of 6xug by Molmil
Human Ecto-5'-nucleotidase (CD73) in complex with A2410 (compound 53 in publication) in the closed form in crystal form IV
Descriptor: 4-chloranyl-1-(1~{H}-indazol-6-yl)-6-[2-(3-methylphenyl)pyrazol-3-yl]benzotriazole, 5'-nucleotidase, CALCIUM ION, ...
Authors:Strater, N.
Deposit date:2020-01-19
Release date:2020-04-22
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2.09 Å)
Cite:Discovery of Potent and Selective Non-Nucleotide Small Molecule Inhibitors of CD73.
J.Med.Chem., 63, 2020
4Z0C
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BU of 4z0c by Molmil
Crystal structure of TLR13-ssRNA13 complex
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, DNA (5'-R(P*AP*CP*GP*GP*AP*AP*AP*GP*AP*CP*CP*CP*C)-3'), ...
Authors:Song, W, Han, Z, Chai, J.
Deposit date:2015-03-26
Release date:2015-10-07
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Structural basis for specific recognition of single-stranded RNA by Toll-like receptor 13
Nat.Struct.Mol.Biol., 22, 2015
6XUQ
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BU of 6xuq by Molmil
Human Ecto-5'-nucleotidase (CD73) in complex with A1618 (compound 1b in publication) in the closed state in crystal form III
Descriptor: 5'-nucleotidase, CALCIUM ION, ZINC ION, ...
Authors:Strater, N.
Deposit date:2020-01-20
Release date:2020-04-22
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.97 Å)
Cite:Discovery of Potent and Selective Non-Nucleotide Small Molecule Inhibitors of CD73.
J.Med.Chem., 63, 2020
6XV1
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BU of 6xv1 by Molmil
Human Sirt6 13-308 in complex with ADP-ribose and the activator MDL-801
Descriptor: 5-[[3,5-bis(chloranyl)phenyl]sulfonylamino]-2-[(5-bromanyl-4-fluoranyl-2-methyl-phenyl)sulfamoyl]benzoic acid, NAD-dependent protein deacetylase sirtuin-6, SULFATE ION, ...
Authors:You, W, Steegborn, C.
Deposit date:2020-01-21
Release date:2020-10-28
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Binding site for activator MDL-801 on SIRT6.
Nat.Chem.Biol., 17, 2021
4Z0E
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BU of 4z0e by Molmil
Crystal structure of FVO strain Plasmodium falciparum AMA1 in complex with the RON2hp [Phe2038TRN] peptide
Descriptor: Apical membrane antigen 1, Rhoptry neck protein 2
Authors:Wang, G, McGowan, S, Norton, R.S, Scanlon, M.J.
Deposit date:2015-03-26
Release date:2016-08-03
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Structure-Activity Studies of beta-Hairpin Peptide Inhibitors of the Plasmodium falciparum AMA1-RON2 Interaction.
J.Mol.Biol., 428, 2016
6XV9
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BU of 6xv9 by Molmil
Crystal structure of the kinase domain of human c-KIT in complex with a type-II inhibitor
Descriptor: Mast/stem cell growth factor receptor Kit,Mast/stem cell growth factor receptor Kit, ~{N}-[3-[(dimethylamino)methyl]-5-methyl-phenyl]-2-[3-methoxy-5-(7-methoxyquinolin-4-yl)oxy-pyridin-2-yl]ethanamide
Authors:Ogg, D.J, Howard, T, McAuley, K, Hoyt, E.A, Thomas, M, Bodnarchuk, M.S, Lewis, H.J, Barratt, D, Deery, M.J, Bernardes, G.J.L, Ward, R.A, Kettle, J.G, Waring, M.J.
Deposit date:2020-01-21
Release date:2020-05-27
Last modified:2024-05-01
Method:X-RAY DIFFRACTION (3.38 Å)
Cite:Alkynyl Benzoxazines and Dihydroquinazolines as Cysteine Targeting Covalent Warheads and Their Application in Identification of Selective Irreversible Kinase Inhibitors.
J.Am.Chem.Soc., 142, 2020
2CD8
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BU of 2cd8 by Molmil
Crystal structure of YC-17-bound cytochrome P450 PikC (CYP107L1)
Descriptor: 4-{[4-(DIMETHYLAMINO)-3-HYDROXY-6-METHYLTETRAHYDRO-2H-PYRAN-2-YL]OXY}-12-ETHYL-3,5,7,11-TETRAMETHYLOXACYCLODODEC-9-ENE-2,8-DIONE, CYTOCHROME P450 MONOOXYGENASE, PROTOPORPHYRIN IX CONTAINING FE
Authors:Yermalitskaya, L.I, Kim, Y, Sherman, D.H, Waterman, M.R, Podust, L.M.
Deposit date:2006-01-20
Release date:2007-02-20
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:The Structural Basis for Substrate Anchoring, Active Site Selectivity, and Product Formation by P450 Pikc from Streptomyces Venezuelae.
J.Biol.Chem., 281, 2006
2XOK
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BU of 2xok by Molmil
Refined structure of yeast F1c10 ATPase complex to 3 A resolution
Descriptor: ATP SYNTHASE, ATP SYNTHASE CATALYTIC SECTOR F1 EPSILON SUBUNIT, ATP SYNTHASE SUBUNIT 9, ...
Authors:Stock, D, W Leslie, A.G, Walker, J.E.
Deposit date:2010-08-18
Release date:2010-09-22
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (3.01 Å)
Cite:Molecular architecture of the rotary motor in ATP synthase.
Science, 286, 1999
2CFI
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BU of 2cfi by Molmil
The hydrolase domain of human 10-FTHFD in complex with 6- formyltetrahydropterin
Descriptor: 10-FORMYLTETRAHYDROFOLATE DEHYDROGENASE, 6-FORMYLTETRAHYDROPTERIN, SULFATE ION
Authors:Kursula, P, Stenmark, P, Arrowsmith, C, Edwards, A, Ehn, M, Graslund, S, Hammarstrom, M, Hallberg, M, Kotenyova, T, Nilsson-Ehle, P, Nordlund, P, Ogg, D.J, Persson, C, Sagemark, J, Schuler, H, Sundstrom, M, Thorsell, A, Weigelt, J.
Deposit date:2006-02-21
Release date:2006-03-14
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Structures of the Hydrolase Domain of Human 10-Formyltetrahydrofolate Dehydrogenase and its Complex with a Substrate Analogue.
Acta Crystallogr.,Sect.D, 62, 2006
4JCQ
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BU of 4jcq by Molmil
ClpP1 from Listeria monocytogenes
Descriptor: ATP-dependent Clp protease proteolytic subunit
Authors:Zeiler, E, List, A, Alte, F, Gersch, M, Wachtel, R, Groll, M, Sieber, S.
Deposit date:2013-02-22
Release date:2013-06-12
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2 Å)
Cite:Structural and functional insights into caseinolytic proteases reveal an unprecedented regulation principle of their catalytic triad.
Proc.Natl.Acad.Sci.USA, 110, 2013
2XGJ
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BU of 2xgj by Molmil
Structure of Mtr4, a DExH helicase involved in nuclear RNA processing and surveillance
Descriptor: ADENOSINE-5'-DIPHOSPHATE, ATP-DEPENDENT RNA HELICASE DOB1, RNA (5'-(*AP*AP*AP*AP*A)-3')
Authors:Weir, J.R, Bonneau, F, Hentschel, J, Conti, E.
Deposit date:2010-06-04
Release date:2010-06-23
Last modified:2024-05-01
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:Structural Analysis Reveals the Characteristic Features of Mtr4, a Dexh Helicase Involved in Nuclear RNA Processing and Surveillance.
Proc.Natl.Acad.Sci.USA, 107, 2010
6B7B
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BU of 6b7b by Molmil
Crystal structure of E.coli Phosphopantetheine Adenylyltransferase (PPAT/CoaD) in complex with 5-methoxy-2-methyl-1H-indole
Descriptor: 5-methoxy-2-methyl-1H-indole, DIMETHYL SULFOXIDE, PYROPHOSPHATE 2-, ...
Authors:Proudfoot, A.W, Bussiere, D, Lingel, A.
Deposit date:2017-10-03
Release date:2017-12-27
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.981 Å)
Cite:High-Confidence Protein-Ligand Complex Modeling by NMR-Guided Docking Enables Early Hit Optimization.
J. Am. Chem. Soc., 139, 2017
4JJQ
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Crystal structure of usp7-ntd with an e2 enzyme
Descriptor: Ubiquitin carboxyl-terminal hydrolase 7, Ubiquitin-conjugating enzyme E2 E1
Authors:Saridakis, V.
Deposit date:2013-03-08
Release date:2013-05-01
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Ubiquitin-specific protease 7 is a regulator of ubiquitin-conjugating enzyme UbE2E1.
J. Biol. Chem., 288, 2013
2CJL
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CRYSTAL STRUCTURE AND ENZYMATIC PROPERTIES OF A BACTERIAL FAMILY 19 CHITINASE REVEAL DIFFERENCES WITH PLANT ENZYMES
Descriptor: SECRETED CHITINASE, ZINC ION
Authors:Hoell, I.A, Dalhus, B, Heggset, E.B, Aspmo, S.I, Eijsink, V.G.H.
Deposit date:2006-04-04
Release date:2006-10-04
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Crystal Structure and Enzymatic Properties of a Bacterial Family 19 Chitinase Reveal Differences with Plant Enzymes
FEBS J., 273, 2006

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