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3CAQ
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Crystal structure of 5beta-reductase (AKR1D1) in complex with NADPH
Descriptor: (4S)-2-METHYL-2,4-PENTANEDIOL, 1,2-ETHANEDIOL, 3-oxo-5-beta-steroid 4-dehydrogenase, ...
Authors:Faucher, F, Cantin, L, Breton, R.
Deposit date:2008-02-20
Release date:2008-12-09
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Crystal Structures of Human Delta4-3-Ketosteroid 5beta-Reductase (AKR1D1) Reveal the Presence of an Alternative Binding Site Responsible for Substrate Inhibition (dagger) (,) (double dagger).
Biochemistry, 47, 2008
3BVO
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Crystal structure of human co-chaperone protein HscB
Descriptor: Co-chaperone protein HscB, mitochondrial precursor, SULFATE ION, ...
Authors:Bitto, E, Bingman, C.A, McCoy, J.G, Wesenberg, G.E, Phillips Jr, G.N, Center for Eukaryotic Structural Genomics (CESG)
Deposit date:2008-01-07
Release date:2008-01-15
Last modified:2017-10-25
Method:X-RAY DIFFRACTION (3 Å)
Cite:Structure of human J-type co-chaperone HscB reveals a tetracysteine metal-binding domain.
J.Biol.Chem., 283, 2008
3BZ9
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BU of 3bz9 by Molmil
Crystal Structures of (S)-(-)-Blebbistatin Analogs bound to Dictyostelium discoideum myosin II
Descriptor: (3aS)-3a-hydroxy-1-phenyl-1,2,3,3a-tetrahydro-4H-pyrrolo[2,3-b]quinolin-4-one, 1,2-ETHANEDIOL, ADENOSINE-5'-DIPHOSPHATE, ...
Authors:Allingham, J.S, Rayment, I.
Deposit date:2008-01-17
Release date:2008-02-19
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:The small molecule tool (S)-(-)-blebbistatin: novel insights of relevance to myosin inhibitor design.
Org.Biomol.Chem., 6, 2008
3CE0
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Human poly(ADP-ribose) polymerase 3, catalytic fragment in complex with an inhibitor PJ34
Descriptor: N~2~,N~2~-DIMETHYL-N~1~-(6-OXO-5,6-DIHYDROPHENANTHRIDIN-2-YL)GLYCINAMIDE, Poly [ADP-ribose] polymerase 3
Authors:Lehtio, L, Karlberg, T, Arrowsmith, C.H, Berglund, H, Bountra, C, Busam, R, Collins, R, Dahlgren, L.G, Edwards, A.M, Flodin, S, Flores, A, Graslund, S, Hammarstrom, M, Herman, M.D, Johansson, A, Johansson, I, Kallas, A, Kotenyova, T, Moche, M, Nilsson, M.E, Nordlund, P, Nyman, T, Persson, C, Sagemark, J, Svensson, L, Thorsell, A.G, Tresaugues, L, van den Berg, S, Welin, M, Weigelt, J, Structural Genomics Consortium (SGC)
Deposit date:2008-02-27
Release date:2008-03-11
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Structural basis for inhibitor specificity in human poly(ADP-ribose) polymerase-3.
J.Med.Chem., 52, 2009
3BKB
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BU of 3bkb by Molmil
Crystal structure of human Feline Sarcoma Viral Oncogene Homologue (v-FES)
Descriptor: 1,2-ETHANEDIOL, Proto-oncogene tyrosine-protein kinase Fes/Fps, STAUROSPORINE, ...
Authors:Filippakopoulos, P, Salah, E, Fedorov, O, Cooper, C, Ugochukwu, E, Pike, A.C.W, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Weigelt, J, Knapp, S, Structural Genomics Consortium (SGC)
Deposit date:2007-12-06
Release date:2007-12-25
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (1.78 Å)
Cite:Structural Coupling of SH2-Kinase Domains Links Fes and Abl Substrate Recognition and Kinase Activation
Cell(Cambridge,Mass.), 134, 2008
3Q3X
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Crystal structure of the main protease (3C) from human enterovirus B EV93
Descriptor: GLYCEROL, HEVB EV93 3C protease, MAGNESIUM ION
Authors:Costenaro, L, Sola, M, Coutard, B, Norder, H, Canard, B, Coll, M.
Deposit date:2010-12-22
Release date:2011-09-07
Last modified:2023-12-06
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Structural Basis for Antiviral Inhibition of the Main Protease, 3C, from Human Enterovirus 93.
J.Virol., 85, 2011
3PR7
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BU of 3pr7 by Molmil
Multi-functional and mechanosensitive receptor binding activity of the Moraxella catarrhalis adhesin UspA1
Descriptor: UspA1
Authors:Agnew, C.R.J, Zaccai, N.R, Conners, R, Brady, R.L.
Deposit date:2010-11-29
Release date:2011-09-07
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (2.94 Å)
Cite:Correlation of in situ mechanosensitive responses of the Moraxella catarrhalis adhesin UspA1 with fibronectin and receptor CEACAM1 binding.
Proc.Natl.Acad.Sci.USA, 108, 2011
3C1F
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BU of 3c1f by Molmil
Crystal structure of Staphylococcal nuclease variant Delta+PHS V104K at cryogenic temperature
Descriptor: CALCIUM ION, THYMIDINE-3',5'-DIPHOSPHATE, Thermonuclease
Authors:Khangulov, V.S, Schlessman, J.L, Garcia-Moreno, E.B.
Deposit date:2008-01-23
Release date:2008-11-04
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2 Å)
Cite:Crystal structure of Staphylococcal nuclease variant Delta+PHS V104K at cryogenic temperature
To be Published
3BL8
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BU of 3bl8 by Molmil
Crystal structure of the extracellular domain of neuroligin 2A from mouse
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Neuroligin-2, alpha-D-mannopyranose-(1-3)-[alpha-D-mannopyranose-(1-6)]alpha-D-mannopyranose-(1-3)-[alpha-D-mannopyranose-(1-6)]beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Jin, X, Koehnke, J, Shapiro, L.
Deposit date:2007-12-10
Release date:2008-02-19
Last modified:2021-03-31
Method:X-RAY DIFFRACTION (3.3 Å)
Cite:Crystal structure of the extracellular cholinesterase-like domain from neuroligin-2.
Proc.Natl.Acad.Sci.Usa, 105, 2008
3BMN
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BU of 3bmn by Molmil
Structure of Pteridine Reductase 1 (PTR1) from Trypanosoma brucei in ternary complex with cofactor (NADP+) and inhibitor (Compound AX3)
Descriptor: 1,2-ETHANEDIOL, ACETATE ION, GLYCEROL, ...
Authors:Martini, V.P, Iulek, J, Tulloch, L.B, Hunter, W.N.
Deposit date:2007-12-13
Release date:2008-12-16
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (1.98 Å)
Cite:Structure-based design of pteridine reductase inhibitors targeting african sleeping sickness and the leishmaniases.
J.Med.Chem., 53, 2010
3BJ9
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Crystal structure of the Surrogate Light Chain Variable Domain VpreBJ
Descriptor: 1,2-ETHANEDIOL, Immunoglobulin iota chain, Immunoglobulin lambda-like polypeptide 1
Authors:Morstadt, L.M, Bohm, A.A, Stollar, B.D, Baleja, J.D.
Deposit date:2007-12-03
Release date:2008-03-04
Last modified:2019-09-04
Method:X-RAY DIFFRACTION (2 Å)
Cite:Engineering and characterization of a single chain surrogate light chain variable domain.
Protein Sci., 17, 2008
3B2Q
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BU of 3b2q by Molmil
Intermediate position of ATP on its trail to the binding pocket inside the subunit B mutant R416W of the energy converter A1Ao ATP synthase
Descriptor: 4-(2-AMINOETHYL)BENZENESULFONYL FLUORIDE, ADENOSINE-5'-TRIPHOSPHATE, CITRIC ACID, ...
Authors:Kumar, A, Manimekalai, M.S.S, Balakrishna, A.M, Hunke, C, Gruber, G.
Deposit date:2007-10-19
Release date:2008-09-09
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Spectroscopic and crystallographic studies of the mutant R416W give insight into the nucleotide binding traits of subunit B of the A1Ao ATP synthase
Proteins, 75, 2009
3B9R
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BU of 3b9r by Molmil
SERCA Ca2+-ATPase E2 aluminium fluoride complex without thapsigargin
Descriptor: MAGNESIUM ION, PHOSPHOMETHYLPHOSPHONIC ACID ADENYLATE ESTER, POTASSIUM ION, ...
Authors:Olesen, C, Picard, M, Winther, A.M.L, Morth, J.P, Moller, J.V, Nissen, P.
Deposit date:2007-11-06
Release date:2007-12-18
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (3 Å)
Cite:The structural basis of calcium transport by the calcium pump
Nature, 450, 2007
3BFU
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Structure of the ligand-binding core of GluR2 in complex with the agonist (R)-TDPA at 1.95 A resolution
Descriptor: (2R)-2-amino-3-(4-hydroxy-1,2,5-thiadiazol-3-yl)propanoic acid, Glutamate receptor 2
Authors:Beich-Frandsen, M, Mirza, O, Vestergaard, B, Gajhede, M, Kastrup, J.S.
Deposit date:2007-11-23
Release date:2008-10-14
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Structures of the ligand-binding core of iGluR2 in complex with the agonists (R)- and (S)-2-amino-3-(4-hydroxy-1,2,5-thiadiazol-3-yl)propionic acid explain their unusual equipotency.
J.Med.Chem., 51, 2008
3TAC
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BU of 3tac by Molmil
Crystal Structure of the Liprin-alpha/CASK complex
Descriptor: CHLORIDE ION, Liprin-alpha-2, Peripheral plasma membrane protein CASK, ...
Authors:Wei, Z, Zheng, S, Yu, C, Zhang, M.
Deposit date:2011-08-03
Release date:2011-10-12
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Liprin-mediated large signaling complex organization revealed by the liprin-alpha/CASK and liprin-alpha/liprin-beta complex structures
Mol.Cell, 43, 2011
3BJW
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Crystal Structure of ecarpholin S complexed with suramin
Descriptor: 8,8'-[CARBONYLBIS[IMINO-3,1-PHENYLENECARBONYLIMINO(4-METHYL-3,1-PHENYLENE)CARBONYLIMINO]]BIS-1,3,5-NAPHTHALENETRISULFON IC ACID, Phospholipase A2
Authors:Zhou, X, Sivaraman, J.
Deposit date:2007-12-04
Release date:2007-12-18
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Structural Characterization of Myotoxic Ecarpholin S from Echis carinatus Venom
Biophys.J., 95, 2008
3TD9
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BU of 3td9 by Molmil
Crystal structure of a Leucine binding protein LivK (TM1135) from Thermotoga maritima MSB8 at 1.90 A resolution
Descriptor: 1,2-ETHANEDIOL, Branched chain amino acid ABC transporter, periplasmic amino acid-binding protein, ...
Authors:Joint Center for Structural Genomics (JCSG)
Deposit date:2011-08-10
Release date:2011-09-07
Last modified:2018-01-24
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Crystal structure of a Leucine binding protein LivK (TM1135) from Thermotoga maritima MSB8 at 1.90 A resolution
To be published
3BL2
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BU of 3bl2 by Molmil
Crystal Structure of M11, the BCL-2 Homolog of Murine Gamma-herpesvirus 68, Complexed with Mouse Beclin1 (residues 106-124)
Descriptor: Beclin-1, V-bcl-2
Authors:Oh, B.-H, Woo, J.-S, Ku, B.
Deposit date:2007-12-10
Release date:2008-02-12
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Structural and Biochemical Bases for the Inhibition of Autophagy and Apoptosis by Viral BCL-2 of Murine gamma-Herpesvirus 68
Plos Pathog., 4, 2008
3C5H
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BU of 3c5h by Molmil
Crystal structure of the Ras homolog domain of human GRLF1 (p190RhoGAP)
Descriptor: Glucocorticoid receptor DNA-binding factor 1, MAGNESIUM ION, PHOSPHOAMINOPHOSPHONIC ACID-GUANYLATE ESTER, ...
Authors:Shen, L, Tong, Y, Tempel, W, MacKenzie, F, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Weigelt, J, Bochkarev, A, Park, H, Structural Genomics Consortium (SGC)
Deposit date:2008-01-31
Release date:2008-02-12
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Crystal structure of the Ras homolog domain of human GRLF1 (p190RhoGAP).
To be Published
3BN1
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Crystal structure of GDP-perosamine synthase
Descriptor: 2-OXOGLUTARIC ACID, ACETATE ION, Perosamine synthetase, ...
Authors:Cook, P.D, Holden, H.M.
Deposit date:2007-12-13
Release date:2008-03-18
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:GDP-Perosamine Synthase: Structural Analysis and Production of a Novel Trideoxysugar
Biochemistry, 47, 2008
3BNP
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BU of 3bnp by Molmil
Crystal Structure of the Homo sapiens Mitochondrial Ribosomal Decoding Site (A1555G Mutant)
Descriptor: A site of human mitochondrial ribosome, A chain, B chain, ...
Authors:Kondo, J, Westhof, E.
Deposit date:2007-12-14
Release date:2008-06-24
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:The bacterial and mitochondrial ribosomal A-site molecular switches possess different conformational substates
Nucleic Acids Res., 36, 2008
3BOK
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BU of 3bok by Molmil
Structure of the C. botulinum neurotoxin serotype A apo-enzyme
Descriptor: Neurotoxin A
Authors:Silvaggi, N.R, Allen, K.N.
Deposit date:2007-12-17
Release date:2008-05-20
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (1.25 Å)
Cite:Catalytic features of the botulinum neurotoxin A light chain revealed by high resolution structure of an inhibitory peptide complex.
Biochemistry, 47, 2008
3BKP
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Crystal structure of the Toxoplasma gondii cyclophilin, 49.m03261
Descriptor: Cyclophilin, GLYCEROL
Authors:Wernimont, A.K, Lew, J, Kozieradzki, I, Lin, Y.H, Sun, X, Khuu, C, Zhao, Y, Schapira, M, Arrowsmith, C.H, Edwards, A.M, Weigelt, J, Bochkarev, A, Hui, R, Artz, J.D, Amani, M, Structural Genomics Consortium (SGC)
Deposit date:2007-12-07
Release date:2007-12-18
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Crystal structure of the Toxoplasma gondii cyclophilin, 49.m03261.
To be Published
3SQY
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BU of 3sqy by Molmil
S. aureus Dihydrofolate Reductase complexed with novel 7-aryl-2,4-diaminoquinazolines
Descriptor: 7-(2-methoxyphenyl)quinazoline-2,4-diamine, Dihydrofolate reductase, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE
Authors:Hilgers, M.
Deposit date:2011-07-06
Release date:2011-08-31
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Structure-based design of new DHFR-based antibacterial agents: 7-aryl-2,4-diaminoquinazolines.
Bioorg.Med.Chem.Lett., 21, 2011
3BSW
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BU of 3bsw by Molmil
PglD-citrate complex, from Campylobacter jejuni NCTC 11168
Descriptor: Acetyltransferase, CITRIC ACID
Authors:Olivier, N.B, Imperiali, B.
Deposit date:2007-12-26
Release date:2008-07-29
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (1.77 Å)
Cite:Crystal structure and catalytic mechanism of PglD from Campylobacter jejuni.
J.Biol.Chem., 283, 2008

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