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2J4K
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Crystal structure of uridylate kinase from Sulfolobus solfataricus in complex with UMP to 2.2 Angstrom resolution
Descriptor: CADMIUM ION, MAGNESIUM ION, URIDINE-5'-MONOPHOSPHATE, ...
Authors:Jensen, K.S, Johansson, E, Jensen, K.F.
Deposit date:2006-09-01
Release date:2007-02-27
Last modified:2024-05-01
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Structural and Enzymatic Investigation of the Sulfolobus Solfataricus Uridylate Kinase Shows Competitive Utp Inhibition and the Lack of GTP Stimulation
Biochemistry, 46, 2007
2ZS8
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BU of 2zs8 by Molmil
Pantothenate kinase from Mycobacterium tuberculosis (MtPanK) co-crystallized with ADP
Descriptor: ADENOSINE-5'-DIPHOSPHATE, GLYCEROL, Pantothenate kinase
Authors:Chetnani, B, Das, S, Kumar, P, Surolia, A, Vijayan, M.
Deposit date:2008-09-03
Release date:2009-07-21
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Mycobacterium tuberculosis pantothenate kinase: possible changes in location of ligands during enzyme action
Acta Crystallogr.,Sect.D, 65, 2009
4OYO
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BU of 4oyo by Molmil
Human solAC Complexed with 4-(2-Chlorophenyl)-3-methyl-1H-pyrazole
Descriptor: 4-(2-chlorophenyl)-5-methyl-1H-pyrazole, Adenylate cyclase type 10, GLYCEROL
Authors:Vinkovic, M.
Deposit date:2014-02-12
Release date:2014-04-02
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:Crystal structure of human soluble adenylate cyclase reveals a distinct, highly flexible allosteric bicarbonate binding pocket.
Chemmedchem, 9, 2014
4OZ3
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BU of 4oz3 by Molmil
Human solAC Complexed with 4-phenyl-3-(trifluoromethyl)-1H-pyrazole
Descriptor: 4-phenyl-3-(trifluoromethyl)-1H-pyrazole, Adenylate cyclase type 10, GLYCEROL
Authors:Vinkovic, M.
Deposit date:2014-02-13
Release date:2014-04-02
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Crystal structure of human soluble adenylate cyclase reveals a distinct, highly flexible allosteric bicarbonate binding pocket.
Chemmedchem, 9, 2014
4OKS
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BU of 4oks by Molmil
Crystal Structure of Hepatitis C Virus NS3 Helicase Inhibitor Co-complex with Compound 19 [[6-(3,5-diaminophenyl)-1-(2-methoxy-5-nitrobenzyl)-1H-indol-3-yl]acetic acid]
Descriptor: CALCIUM ION, Serine protease NS3, [6-(3,5-diaminophenyl)-1-(2-methoxy-5-nitrobenzyl)-1H-indol-3-yl]acetic acid
Authors:Padyana, A.K.
Deposit date:2014-01-22
Release date:2014-03-05
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.25 Å)
Cite:Integrated strategies for identifying leads that target the NS3 helicase of the hepatitis C virus.
J.Med.Chem., 57, 2014
2J5G
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BU of 2j5g by Molmil
The Native structure of a beta-Diketone Hydrolase from the Cyanobacterium Anabaena sp. PCC 7120
Descriptor: ALR4455 PROTEIN, SULFATE ION
Authors:Bennett, J.P, Whittingham, J.L, Brzozowski, A.M, Leonard, P.M, Grogan, G.
Deposit date:2006-09-18
Release date:2007-01-16
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (1.46 Å)
Cite:Structural Characterisation of a Beta Diketone Hydrolase from the Cyanobacterium Anabaena Sp. Pcc 7120 in Native and Product Bound Forms, a Coenzyme A-Independent Member of the Crotonase Suprafamily
Biochemistry, 46, 2007
1EWF
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BU of 1ewf by Molmil
THE 1.7 ANGSTROM CRYSTAL STRUCTURE OF BPI
Descriptor: 1,2-DIACYL-SN-GLYCERO-3-PHOSPHOCHOLINE, BACTERICIDAL/PERMEABILITY-INCREASING PROTEIN
Authors:Kleiger, G, Beamer, L.J, Grothe, R, Mallick, P, Eisenberg, D.
Deposit date:2000-04-25
Release date:2000-06-21
Last modified:2021-11-03
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:The 1.7 A crystal structure of BPI: a study of how two dissimilar amino acid sequences can adopt the same fold.
J.Mol.Biol., 299, 2000
2IDW
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BU of 2idw by Molmil
Crystal structure analysis of HIV-1 protease mutant V82A with a potent non-peptide inhibitor (UIC-94017)
Descriptor: (3R,3AS,6AR)-HEXAHYDROFURO[2,3-B]FURAN-3-YL(1S,2R)-3-[[(4-AMINOPHENYL)SULFONYL](ISOBUTYL)AMINO]-1-BENZYL-2-HYDROXYPROPYLCARBAMATE, ACETIC ACID, CHLORIDE ION, ...
Authors:Tie, Y, Boross, P.I, Wang, Y.F, Gaddis, L, Manna, D, Hussain, A.K, Leshchenko, S, Ghosh, A.K, Louis, J.M, Harrison, R.W, Weber, I.T.
Deposit date:2006-09-15
Release date:2006-10-03
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (1.1 Å)
Cite:High Resolution Crystal Structures of HIV-1 Protease with a Potent Non-Peptide Inhibitor (Uic-94017) Active Against Multi-Drug-Resistant Clinical Strains.
J.Mol.Biol., 338, 2004
2IEA
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BU of 2iea by Molmil
E. coli pyruvate dehydrogenase
Descriptor: MAGNESIUM ION, Pyruvate dehydrogenase E1 component, THIAMINE DIPHOSPHATE
Authors:Furey, W, Arjunan, P.
Deposit date:2006-09-18
Release date:2006-10-03
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Structure of the pyruvate dehydrogenase multienzyme complex E1 component from Escherichia coli at 1.85 A resolution.
Biochemistry, 41, 2002
4OTN
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BU of 4otn by Molmil
Crystal structure of the C-terminal regulatory domain of murine GCN2
Descriptor: 1,2-ETHANEDIOL, Eukaryotic translation initiation factor 2-alpha kinase 4, SULFATE ION
Authors:He, H, Georgiadis, M.M.
Deposit date:2014-02-13
Release date:2014-04-16
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Crystal Structures of GCN2 Protein Kinase C-terminal Domains Suggest Regulatory Differences in Yeast and Mammals.
J.Biol.Chem., 289, 2014
7SKW
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BU of 7skw by Molmil
Ab initio structure of triclinic lysozyme from electron-counted MicroED data
Descriptor: Lysozyme C, NITRATE ION
Authors:Martynowycz, M.W, Clabbers, M.T.B, Hattne, J, Gonen, T.
Deposit date:2021-10-21
Release date:2022-06-08
Last modified:2024-10-09
Method:ELECTRON CRYSTALLOGRAPHY (0.87 Å)
Cite:Ab initio phasing macromolecular structures using electron-counted MicroED data.
Nat.Methods, 19, 2022
7SKX
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BU of 7skx by Molmil
Ab initio structure of proteinase K from electron-counted MicroED data
Descriptor: 5-amino-2,4,6-triiodobenzene-1,3-dicarboxylic acid, CALCIUM ION, Proteinase K
Authors:Martynowycz, M.W, Clabbers, M.T.B, Hattne, J, Gonen, T.
Deposit date:2021-10-21
Release date:2022-06-08
Last modified:2022-06-22
Method:ELECTRON CRYSTALLOGRAPHY (1.5 Å)
Cite:Ab initio phasing macromolecular structures using electron-counted MicroED data.
Nat.Methods, 19, 2022
6AP5
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BU of 6ap5 by Molmil
H, 13C, and 15N Chemical Shift Assignments and structure of Thioredoxin from Mycobacterium thermoresistibile ATCC 19527 and NCTC 10409
Descriptor: Thioredoxin
Authors:Tang, C.T, Yang, F.Y, Varani, G.V, Seattle Structural Genomics Center for Infectious Disease (SSGCID)
Deposit date:2017-08-17
Release date:2017-10-25
Last modified:2024-05-01
Method:SOLUTION NMR
Cite:H, 13C, and 15N Chemical Shift Assignments and structure of Thioredoxin from Mycobacterium thermoresistibile ATCC 19527 and NCTC 10409
To Be Published
2J50
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BU of 2j50 by Molmil
Structure of Aurora-2 in complex with PHA-739358
Descriptor: N-[(3E)-5-[(2R)-2-METHOXY-2-PHENYLACETYL]PYRROLO[3,4-C]PYRAZOL-3(5H)-YLIDENE]-4-(4-METHYLPIPERAZIN-1-YL)BENZAMIDE, SERINE/THREONINE-PROTEIN KINASE 6, SULFATE ION
Authors:Cameron, A.D, Izzo, G, Storici, P, Rusconi, L, Fancelli, D, Varasi, M, Berta, D, Bindi, S, Forte, B, Severino, D, Tonani, R, Vianello, P.
Deposit date:2006-09-08
Release date:2006-11-06
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (3 Å)
Cite:1,4,5,6-Tetrahydropyrrolo[3,4-C]Pyrazoles: Identification of a Potent Aurora Kinase Inhibitor with a Favorable Antitumor Kinase Inhibition Profile.
J.Med.Chem., 49, 2006
1E79
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BU of 1e79 by Molmil
Bovine F1-ATPase inhibited by DCCD (dicyclohexylcarbodiimide)
Descriptor: ADENOSINE-5'-DIPHOSPHATE, ADENOSINE-5'-TRIPHOSPHATE, ATP SYNTHASE ALPHA CHAIN HEART ISOFORM, ...
Authors:Gibbons, C, Montgomery, M.G, Leslie, A.G.W, Walker, J.E.
Deposit date:2000-08-25
Release date:2000-11-03
Last modified:2024-10-09
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:The Structure of the Central Stalk in Bovine F(1)-ATPase at 2.4 A Resolution.
Nat.Struct.Biol., 7, 2000
4OSG
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BU of 4osg by Molmil
Klebsiella pneumoniae complexed with NADPH and 6-ethyl-5-[(3R)-3-[3-methoxyl-5-(pyridine-4-yl)phenyl]but-1-yn-1-yl]pyrimidine-2,4-diamine (UCP1006)
Descriptor: 6-ethyl-5-{(3R)-3-[3-methoxy-5-(pyridin-4-yl)phenyl]but-1-yn-1-yl}pyrimidine-2,4-diamine, CACODYLATE ION, CALCIUM ION, ...
Authors:Lamb, K.M, Anderson, A.C.
Deposit date:2014-02-12
Release date:2014-12-03
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Crystal Structures of Klebsiella pneumoniae Dihydrofolate Reductase Bound to Propargyl-Linked Antifolates Reveal Features for Potency and Selectivity.
Antimicrob.Agents Chemother., 58, 2014
1DWX
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BU of 1dwx by Molmil
MURINE INDUCIBLE NITRIC OXIDE SYNTHASE OXYGENASE DIMER N-hydroxyarginine and tetrahydrobiopterin
Descriptor: 5,6,7,8-TETRAHYDROBIOPTERIN, N-OMEGA-HYDROXY-L-ARGININE, NITRIC OXIDE SYNTHASE, ...
Authors:Crane, B.R, Arvai, A.S, Getzoff, E.D, Stuehr, D.J, Tainer, J.A.
Deposit date:1999-12-14
Release date:2000-02-06
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Structures of the N(Omega)-Hydroxy-L-Arginine Complex of Inducible Nitric Oxide Synthase Oxygenase Dimer with Active Andinactive Pterins
Biochemistry, 39, 2000
4NVB
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BU of 4nvb by Molmil
Predicting protein conformational response in prospective ligand discovery.
Descriptor: 2-AMINO-5-METHYLTHIAZOLE, Cytochrome c peroxidase, PROTOPORPHYRIN IX CONTAINING FE
Authors:Fischer, M, Fraser, J.S.
Deposit date:2013-12-05
Release date:2013-12-18
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.17 Å)
Cite:Incorporation of protein flexibility and conformational energy penalties in docking screens to improve ligand discovery.
Nat Chem, 6, 2014
4NVM
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BU of 4nvm by Molmil
Predicting protein conformational response in prospective ligand discovery
Descriptor: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 3-(1H-benzimidazol-1-yl)propanamide, Cytochrome c peroxidase, ...
Authors:Fischer, M, Fraser, J.S.
Deposit date:2013-12-05
Release date:2013-12-25
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.51 Å)
Cite:Incorporation of protein flexibility and conformational energy penalties in docking screens to improve ligand discovery.
Nat Chem, 6, 2014
7RZ3
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BU of 7rz3 by Molmil
The solution structure of remipede double-ICK toxin phi-Xibalbin3-Xt3a
Descriptor: Xt3a
Authors:Maxwell, M, Chin, Y.K, Mobli, M.
Deposit date:2021-08-27
Release date:2022-08-31
Last modified:2023-03-08
Method:SOLUTION NMR
Cite:A bivalent remipede toxin promotes calcium release via ryanodine receptor activation.
Nat Commun, 14, 2023
8H2X
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BU of 8h2x by Molmil
Structure of Acb2
Descriptor: 1,2-ETHANEDIOL, GLYCEROL, p26
Authors:Feng, Y, Cao, X.L.
Deposit date:2022-10-07
Release date:2023-02-22
Last modified:2024-05-29
Method:X-RAY DIFFRACTION (2.69 Å)
Cite:Bacteriophages inhibit and evade cGAS-like immune function in bacteria.
Cell, 186, 2023
1E3M
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BU of 1e3m by Molmil
The crystal structure of E. coli MutS binding to DNA with a G:T mismatch
Descriptor: 5'-D(*AP*GP*CP*TP*GP*CP*CP*AP*GP*GP*CP*AP*CP*CP*AP* GP*TP*GP*TP*CP*AP*GP*CP*GP*TP*CP*CP*TP*AP*T)-3', 5'-D(*AP*TP*AP*GP*GP*AP*CP*GP*CP*TP*GP*AP*CP*AP*CP* TP*GP*GP*TP*GP*CP*TP*TP*GP*GP*CP*AP*GP*CP*T)-3', ADENOSINE-5'-DIPHOSPHATE, ...
Authors:Lamers, M.H, Perrakis, A, Enzlin, J.H, Winterwerp, H.H.K, De Wind, N, Sixma, T.K.
Deposit date:2000-06-19
Release date:2000-11-01
Last modified:2017-07-05
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:The Crystal Structure of DNA Mismatch Repair Protein Muts Binding to a G X T Mismatch
Nature, 407, 2000
4NI9
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BU of 4ni9 by Molmil
Crystal structure of human interleukin 6 in complex with a modified nucleotide aptamer (SOMAMER SL1025), FORM 2
Descriptor: Interleukin-6, SODIUM ION, SOMAmer SL1025
Authors:Davies, D, Edwards, T, Gelinas, A, Jarvis, T, Clifton, M.C.
Deposit date:2013-11-05
Release date:2014-01-22
Last modified:2024-10-09
Method:X-RAY DIFFRACTION (2.55 Å)
Cite:Crystal structure of interleukin-6 in complex with a modified nucleic Acid ligand.
J.Biol.Chem., 289, 2014
1DWV
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BU of 1dwv by Molmil
MURINE INDUCIBLE NITRIC OXIDE SYNTHASE OXYGENASE DIMER N-hydroxyarginine and 4-amino tetrahydrobiopterin
Descriptor: 2,4-DIAMINO-6-[2,3-DIHYDROXY-PROP-3-YL]-5,6,7,8-TETRAHYDROPTERIDINE, N-OMEGA-HYDROXY-L-ARGININE, NITRIC OXIDE SYNTHASE, ...
Authors:Crane, B.R, Arvai, A.S, Getzoff, E.D, Stuehr, D.J, Tainer, J.A.
Deposit date:1999-12-14
Release date:2000-02-06
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (2.35 Å)
Cite:Structures of the N(Omega)-Hydroxy-L-Arginine Complex of Inducible Nitric Oxide Synthase Oxygenase Dimer with Active Andinactive Pterins
Biochemistry, 39, 2000
2JBJ
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BU of 2jbj by Molmil
membrane-bound glutamate carboxypeptidase II (GCPII) in complex with 2-PMPA (2-phosphonoMethyl-pentanedioic acid)
Descriptor: (2S)-2-(PHOSPHONOMETHYL)PENTANEDIOIC ACID, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Mesters, J.R, Henning, K, Hilgenfeld, R.
Deposit date:2006-12-07
Release date:2006-12-18
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (2.19 Å)
Cite:Human Glutamate Carboxypeptidase II Inhibition: Structures of Gcpii in Complex with Two Potent Inhibitors, Quisqualate and 2-Pmpa.
Acta Crystallogr.,Sect.D, 63, 2007

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