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2WV5
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BU of 2wv5 by Molmil
Crystal structure of foot-and-mouth disease virus 3C protease in complex with a decameric peptide corresponding to the VP1-2A cleavage junction with a GLN to Glu substitution at P1
Descriptor: FOOT AND MOUTH DISEASE VIRUS (SEROTYPE A) VARIANT VP1 CAPSID PROTEIN, PICORNAIN 3C
Authors:Zunszain, P.A, Knox, S.R, Sweeney, T.R, Yang, J, Roque-Rosell, N, Belsham, G.J, Leatherbarrow, R.J, Curry, S.
Deposit date:2009-10-13
Release date:2009-10-27
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Insights Into Cleavage Specificity from the Crystal Structure of Foot-and-Mouth Disease Virus 3C Protease Complexed with a Peptide Substrate.
J.Mol.Biol., 395, 2010
3E65
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BU of 3e65 by Molmil
Murine INOS dimer with HEME, pterin and inhibitor AR-C120011
Descriptor: 1-[4-(AMINOMETHYL)BENZOYL]-5'-FLUORO-1'H-SPIRO[PIPERIDINE-4,2'-QUINAZOLIN]-4'-AMINE, 5,6,7,8-TETRAHYDROBIOPTERIN, Nitric oxide synthase, ...
Authors:Rosenfeld, R.J, Garcin, E.D, Getzoff, E.D.
Deposit date:2008-08-14
Release date:2008-10-07
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2.05 Å)
Cite:Anchored plasticity opens doors for selective inhibitor design in nitric oxide synthase.
Nat.Chem.Biol., 4, 2008
2X7S
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BU of 2x7s by Molmil
Structures of human carbonic anhydrase II inhibitor complexes reveal a second binding site for steroidal and non-steroidal inhibitors.
Descriptor: (13ALPHA,14BETA,17ALPHA)-3-HYDROXY-2-METHOXYESTRA-1,3,5(10)-TRIEN-17-YL SULFAMATE, CARBONIC ANHYDRASE 2, GLYCEROL, ...
Authors:Cozier, G.E, Leese, M.P, Lloyd, M.D, Baker, M.D, Thiyagarajan, N, Acharya, K.R, Potter, B.V.L.
Deposit date:2010-03-03
Release date:2010-03-31
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (1.64 Å)
Cite:Structures of Human Carbonic Anhydrase II/Inhibitor Complexes Reveal a Second Binding Site for Steroidal and Nonsteroidal Inhibitors.
Biochemistry, 49, 2010
2WP7
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BU of 2wp7 by Molmil
Crystal structure of deSUMOylase(DUF862)
Descriptor: PPPDE PEPTIDASE DOMAIN-CONTAINING PROTEIN 2
Authors:Kim, J.H, Woo, J.S, Oh, B.H.
Deposit date:2009-08-03
Release date:2010-09-01
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Crystal Structure of Desi-1, a Novel Desumoylase Belonging to a Putative Isopeptidase Superfamily.
Proteins, 80, 2012
3DBQ
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BU of 3dbq by Molmil
Crystal structure of TTK kinase domain
Descriptor: Dual specificity protein kinase TTK
Authors:Wang, W, Yang, Y.T, Gao, Y.F, Zhu, S.C, Wang, F, Old, W, Xu, Q.B, Resing, K, Ahn, N, Lei, M, Liu, X.D.
Deposit date:2008-06-02
Release date:2009-02-10
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Structural and Mechanistic Insights into Mps1 Kinase Activation
J.CELL.MOL.MED., 13, 2008
3DIH
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BU of 3dih by Molmil
Crystal structure of ammodytin L
Descriptor: Phospholipase A2 homolog, ammodytin L
Authors:Turk, D, Guncar, G, Krizaj, I.
Deposit date:2008-06-20
Release date:2008-08-05
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Crystal structure of ammodytin L
To be Published
2WV4
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BU of 2wv4 by Molmil
Crystal structure of foot-and-mouth disease virus 3C protease in complex with a decameric peptide corresponding to the VP1-2A cleavage junction
Descriptor: FOOT AND MOUTH DISEASE VIRUS (SEROTYPE A) VARIANT VP1 CAPSID PROTEIN, PICORNAIN 3C
Authors:Zunszain, P.A, Knox, S.R, Sweeney, T.R, Yang, J, Roque-Rosell, N, Belsham, G.J, Leatherbarrow, R.J, Curry, S.
Deposit date:2009-10-13
Release date:2009-10-27
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Insights Into Cleavage Specificity from the Crystal Structure of Foot-and-Mouth Disease Virus 3C Protease Complexed with a Peptide Substrate.
J.Mol.Biol., 395, 2010
3DFO
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BU of 3dfo by Molmil
Dihydroxyacetone phosphate Schiff base and enamine intermediates in D33N mutant fructose-1,6-bisphosphate aldolase from rabbit muscle
Descriptor: 1,3-DIHYDROXYACETONEPHOSPHATE, Fructose-bisphosphate aldolase A
Authors:St-Jean, M, Sygusch, J.
Deposit date:2008-06-12
Release date:2009-04-28
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (1.94 Å)
Cite:Charge stabilization and entropy reduction of central lysine residues in fructose-bisphosphate aldolase
Biochemistry, 48, 2009
3UB3
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BU of 3ub3 by Molmil
D96N variant of TIR domain of Mal/TIRAP
Descriptor: 2,3-DIHYDROXY-1,4-DITHIOBUTANE, Toll/interleukin-1 receptor domain-containing adapter protein
Authors:Shen, Y, Lin, Z.
Deposit date:2011-10-23
Release date:2012-05-16
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (2.75 Å)
Cite:Structural Insights into TIR Domain Specificity of the Bridging Adaptor Mal in TLR4 Signaling
Plos One, 7, 2012
2X5I
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Crystal structure echovirus 7
Descriptor: LAURIC ACID, VP1, VP2, ...
Authors:Plevka, P, Hafenstein, S, Zhang, Y, Bowman, V.D, Chipman, P.R, Bator, C.M, Rossmann, M.G.
Deposit date:2010-02-08
Release date:2010-12-22
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (3.1 Å)
Cite:Interaction of Decay-Accelerating Factor with Echovirus 7.
J.Virol., 84, 2010
2X1I
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BU of 2x1i by Molmil
glycoside hydrolase family 77 4-alpha-glucanotransferase from thermus brockianus
Descriptor: 1,2,3,4,5,6-HEXAHYDROXY-CYCLOHEXANE, 4-ALPHA-GLUCANOTRANSFERASE, PHOSPHATE ION, ...
Authors:Yoon, S.-M, Jung, J.-H, Jung, T.-Y, Song, H.-N, Park, C.-S, Woo, E.-J.
Deposit date:2009-12-28
Release date:2010-10-27
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (2.36 Å)
Cite:Structural and Functional Analysis of Substrate Recognition by the 250S Loop in Amylomaltase from Thermus Brockianus.
Proteins, 79, 2011
3DOK
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BU of 3dok by Molmil
Crystal structure of K103N mutant HIV-1 reverse transcriptase in complex with GW678248.
Descriptor: 2-{4-chloro-2-[(3-chloro-5-cyanophenyl)carbonyl]phenoxy}-N-(2-methyl-4-sulfamoylphenyl)acetamide, PHOSPHATE ION, Reverse transcriptase/ribonuclease H, ...
Authors:Chamberlain, P.P, Ren, J, Stammers, D.K.
Deposit date:2008-07-04
Release date:2008-08-12
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:Structural basis for the improved drug resistance profile of new generation benzophenone non-nucleoside HIV-1 reverse transcriptase inhibitors.
J.Med.Chem., 51, 2008
2X9C
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BU of 2x9c by Molmil
Crystal structure of a soluble PrgI mutant from Salmonella Typhimurium
Descriptor: PROTEIN PRGI
Authors:Poyraz, O, Schmidt, H, Seidel, K, Delissen, F, Ader, C, Tenenboim, H, Goosmann, C, Laube, B, Thuenemann, A.F, Zychlinsky, A, Baldus, M, Lange, A, Griesinger, C, Kolbe, M.
Deposit date:2010-03-15
Release date:2010-06-16
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (2.45 Å)
Cite:Protein Refolding is Required for Assembly of the Type Three Secretion Needle
Nat.Struct.Mol.Biol., 17, 2010
3TYW
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BU of 3tyw by Molmil
Crystal Structure of CYP105N1 from Streptomyces coelicolor A3(2)
Descriptor: PROTOPORPHYRIN IX CONTAINING FE, Putative cytochrome P450
Authors:Zhao, B, Waterman, M.R.
Deposit date:2011-09-26
Release date:2012-07-11
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:Crystal Structure of CYP105N1 from Streptomyces coelicolor A3(2)
To be Published
3DIN
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BU of 3din by Molmil
Crystal structure of the protein-translocation complex formed by the SecY channel and the SecA ATPase
Descriptor: ADENOSINE-5'-DIPHOSPHATE, BERYLLIUM TRIFLUORIDE ION, MAGNESIUM ION, ...
Authors:Zimmer, J, Nam, Y, Rapoport, T.A.
Deposit date:2008-06-20
Release date:2008-10-07
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (4.5 Å)
Cite:Structure of a complex of the ATPase SecA and the protein-translocation channel.
Nature, 455, 2008
3DP4
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BU of 3dp4 by Molmil
Crystal structure of the binding domain of the AMPA subunit GluR3 bound to AMPA
Descriptor: (S)-ALPHA-AMINO-3-HYDROXY-5-METHYL-4-ISOXAZOLEPROPIONIC ACID, Glutamate receptor 3, ZINC ION
Authors:Ahmed, A.H, Wang, Q, Sondermann, H, Oswald, R.E.
Deposit date:2008-07-07
Release date:2008-11-25
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2.11 Å)
Cite:Structure of the S1S2 glutamate binding domain of GLuR3.
Proteins, 75, 2008
2WPJ
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BU of 2wpj by Molmil
factor IXa superactive triple mutant, NaCl-soaked
Descriptor: CALCIUM ION, COAGULATION FACTOR IXA HEAVY CHAIN, COAGULATION FACTOR IXA LIGHT CHAIN, ...
Authors:Zogg, T, Brandstetter, H.
Deposit date:2009-08-06
Release date:2009-12-22
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Structural Basis of the Cofactor- and Substrate-Assisted Activation of Human Coagulation Factor Ixa
Structure, 17, 2009
3SWR
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BU of 3swr by Molmil
Structure of human DNMT1 (601-1600) in complex with Sinefungin
Descriptor: 1,2-ETHANEDIOL, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, DNA (cytosine-5)-methyltransferase 1, ...
Authors:Hashimoto, H, Cheng, X.
Deposit date:2011-07-14
Release date:2011-08-10
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (2.49 Å)
Cite:Structure of human DNMT1 (residues 600-1600) in complex with Sinefungin
To be Published
3SXP
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BU of 3sxp by Molmil
Crystal Structure of Helicobacter pylori ADP-L-glycero-D-manno-heptose-6-epimerase (rfaD, HP0859)
Descriptor: ADP-L-glycero-D-mannoheptose-6-epimerase, NICOTINAMIDE-ADENINE-DINUCLEOTIDE
Authors:Shaik, M.M, Zanotti, G, Cendron, L.
Deposit date:2011-07-15
Release date:2012-02-08
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (2.55 Å)
Cite:The crystal structure of ADP-L-glycero-D-manno-heptose-6-epimerase (HP0859) from Helicobacter pylori.
Biochim.Biophys.Acta, 1814, 2011
2X8M
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BU of 2x8m by Molmil
Crystal Structure of CbpF in complex with ipratropium by soaking
Descriptor: CHOLINE ION, CHOLINE-BINDING PROTEIN F, GLYCEROL, ...
Authors:Silva-Martin, N, Hermoso, J.A.
Deposit date:2010-03-10
Release date:2011-04-06
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Crystal Structures of Cbpf Complexed with Atropine and Ipratropium Reveal Clues for the Design of Novel Antimicrobials Against Streptococcus Pneumoniae.
Biochim.Biophys.Acta, 1840, 2013
3T5L
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BU of 3t5l by Molmil
Ternary complex of HNE Adduct modified DNA (5'-CXG-3' vs 14-mer) with Dpo4 and incoming dDGT
Descriptor: 2'-DEOXYGUANOSINE-5'-TRIPHOSPHATE, CALCIUM ION, DNA (5'-D(*CP*AP*CP*(HN0)P*GP*AP*AP*TP*CP*CP*TP*TP*CP*CP*CP*CP*C)-3'), ...
Authors:Banerjee, S, Christov, P.P, Kozekova, A, Rizzo, C.J, Stone, M.P.
Deposit date:2011-07-27
Release date:2012-02-15
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:Replication bypass of the trans-4-Hydroxynonenal-derived (6S,8R,11S)-1,N(2)-deoxyguanosine DNA adduct by the sulfolobus solfataricus DNA polymerase IV.
Chem.Res.Toxicol., 25, 2012
3H11
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BU of 3h11 by Molmil
Zymogen caspase-8:c-FLIPL protease domain complex
Descriptor: CASP8 and FADD-like apoptosis regulator, Caspase-8, IETD aldehyde inhibitor
Authors:Jeffrey, P.D, Yu, J.W, Shi, Y.
Deposit date:2009-04-10
Release date:2009-04-28
Last modified:2021-10-13
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Mechanism of procaspase-8 activation by c-FLIPL.
Proc.Natl.Acad.Sci.USA, 106, 2009
2X7U
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BU of 2x7u by Molmil
Structures of human carbonic anhydrase II inhibitor complexes reveal a second binding site for steroidal and non-steroidal inhibitors.
Descriptor: (9BETA,14BETA,17BETA)-17-HYDROXY-2-METHOXYESTRA-1,3,5(10)-TRIEN-3-YL SULFAMATE, CARBONIC ANHYDRASE 2, GLYCEROL, ...
Authors:Cozier, G.E, Leese, M.P, Lloyd, M.D, Baker, M.D, Thiyagarajan, N, Acharya, K.R, Potter, B.V.L.
Deposit date:2010-03-03
Release date:2010-03-31
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (2.12 Å)
Cite:Structures of Human Carbonic Anhydrase II/Inhibitor Complexes Reveal a Second Binding Site for Steroidal and Non-Steroidal Inhibitors.
Biochemistry, 49, 2010
3H2T
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BU of 3h2t by Molmil
Crystal structure of gene product 6, baseplate protein of bacteriophage T4
Descriptor: Baseplate structural protein Gp6
Authors:Aksyuk, A.A, Leiman, P.G, Shneider, M.M, Mesyanzhinov, V.V, Rossmann, M.G.
Deposit date:2009-04-14
Release date:2009-05-19
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (3.2 Å)
Cite:The structure of gene product 6 of bacteriophage t4, the hinge-pin of the baseplate.
Structure, 17, 2009
3T5K
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BU of 3t5k by Molmil
Ternary complex of HNE Adduct modified DNA (5'-TXG-3' vs 14-mer) with Dpo4 and incoming dDTP
Descriptor: 2'-DEOXYADENOSINE 5'-TRIPHOSPHATE, CALCIUM ION, DNA (5'-D(*CP*AP*TP*(HN0)P*GP*AP*AP*TP*CP*CP*TP*TP*CP*CP*CP*CP*C)-3'), ...
Authors:Banerjee, S, Christov, P.P, Kozekova, A, Rizzo, C.J, Stone, M.P.
Deposit date:2011-07-27
Release date:2012-02-15
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:Replication bypass of the trans-4-Hydroxynonenal-derived (6S,8R,11S)-1,N(2)-deoxyguanosine DNA adduct by the sulfolobus solfataricus DNA polymerase IV.
Chem.Res.Toxicol., 25, 2012

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