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3A02
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BU of 3a02 by Molmil
Crystal structure of Aristaless homeodomain
Descriptor: CADMIUM ION, CHLORIDE ION, Homeobox protein aristaless
Authors:Miyazono, K, Nagata, K, Saigo, K, Kojima, T, Tanokura, M.
Deposit date:2009-02-28
Release date:2010-03-09
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (1 Å)
Cite:Cooperative DNA-binding and sequence-recognition mechanism of aristaless and clawless
Embo J., 29, 2010
3A0V
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BU of 3a0v by Molmil
PAS domain of histidine kinase ThkA (TM1359) (SeMet, F486M/F489M)
Descriptor: ETHANOL, Sensor protein
Authors:Yamada, S, Sugimoto, H, Kobayashi, M, Ohno, A, Nakamura, H, Shiro, Y.
Deposit date:2009-03-24
Release date:2009-10-20
Last modified:2021-11-10
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Structure of PAS-linked histidine kinase and the response regulator complex
Structure, 17, 2009
3BFU
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BU of 3bfu by Molmil
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
3A18
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BU of 3a18 by Molmil
Crystal Structure of Aldoxime Dehydratase (OxdRE) in Complex with Butyraldoxime (soaked crystal)
Descriptor: (1Z)-butanal oxime, Aldoxime dehydratase, PROTOPORPHYRIN IX CONTAINING FE
Authors:Sawai, H, Sugimoto, H, Kato, Y, Asano, Y, Shiro, Y, Aono, S.
Deposit date:2009-03-26
Release date:2009-09-08
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:X-ray crystal structure of michaelis complex of aldoxime dehydratase
J.Biol.Chem., 284, 2009
3N5U
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BU of 3n5u by Molmil
Crystal structure of an Rb C-terminal peptide bound to the catalytic subunit of PP1
Descriptor: CHLORIDE ION, MANGANESE (II) ION, Retinoblastoma-associated protein, ...
Authors:Hirschi, A.M, Cecchini, M, Steinhardt, R.C, Dick, F.A, Rubin, S.M.
Deposit date:2010-05-25
Release date:2010-08-11
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (3.2 Å)
Cite:An overlapping kinase and phosphatase docking site regulates activity of the retinoblastoma protein.
Nat.Struct.Mol.Biol., 17, 2010
7WBI
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BU of 7wbi by Molmil
BF2*1901-FLU
Descriptor: Beta-2-microglobulin, ILE-ARG-HIS-GLU-ASN-ARG-MET-VAL-LEU, MHC class I alpha chain 2
Authors:Liu, W.J.
Deposit date:2021-12-16
Release date:2022-12-21
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:A Wider and Deeper Peptide-Binding Groove for the Class I Molecules from B15 Compared with B19 Chickens Correlates with Relative Resistance to Marek's Disease.
J Immunol., 210, 2023
3A4U
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BU of 3a4u by Molmil
Crystal structure of MCFD2 in complex with carbohydrate recognition domain of ERGIC-53
Descriptor: CALCIUM ION, GLYCEROL, Multiple coagulation factor deficiency protein 2, ...
Authors:Nishio, M, Kamiya, Y, Mizushima, T, Wakatsuki, S, Sasakawa, H, Yamamoto, K, Uchiyama, S, Noda, M, McKay, A.R, Fukui, K, Hauri, H.P, Kato, K.
Deposit date:2009-07-17
Release date:2010-01-05
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (1.84 Å)
Cite:Structural basis for the cooperative interplay between the two causative gene products of combined factor V and factor VIII deficiency.
Proc.Natl.Acad.Sci.USA, 107, 2010
3A8W
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BU of 3a8w by Molmil
Crystal Structure of PKCiota kinase domain
Descriptor: ADENOSINE-5'-TRIPHOSPHATE, Protein kinase C iota type, SULFATE ION
Authors:Takimura, T, Kamata, K.
Deposit date:2009-10-11
Release date:2010-05-05
Last modified:2017-10-11
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Structures of the PKC-iota kinase domain in its ATP-bound and apo forms reveal defined structures of residues 533-551 in the C-terminal tail and their roles in ATP binding
Acta Crystallogr.,Sect.D, 66, 2010
7WIK
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BU of 7wik by Molmil
Crystal structure of oligoribonuclease of Mycobacterium smegmatis mc2 155
Descriptor: ACETATE ION, DI(HYDROXYETHYL)ETHER, GLYCEROL, ...
Authors:Badhwar, P, Taneja, B.
Deposit date:2022-01-03
Release date:2022-12-21
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.87 Å)
Cite:Three-dimensional structure of a mycobacterial oligoribonuclease reveals a unique C-terminal tail that stabilizes the homodimer.
J.Biol.Chem., 298, 2022
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
3A07
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BU of 3a07 by Molmil
Crystal Structure of Actinohivin; Potent anti-HIV Protein
Descriptor: Actinohivin, SODIUM ION
Authors:Tsunoda, M, Suzuki, K, Sagara, T, Takenaka, A.
Deposit date:2009-03-04
Release date:2009-08-25
Last modified:2017-10-11
Method:X-RAY DIFFRACTION (1.19 Å)
Cite:Mechanism by which the lectin actinohivin blocks HIV infection of target cells
Proc.Natl.Acad.Sci.USA, 106, 2009
3NF3
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BU of 3nf3 by Molmil
Crystal structure of BoNT/A LC with JTH-NB-7239 peptide
Descriptor: BoNT/A, JTH-NB72-39 inhibitor, NICKEL (II) ION, ...
Authors:Zuniga, J.E.
Deposit date:2010-06-09
Release date:2010-07-21
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Iterative structure-based peptide-like inhibitor design against the botulinum neurotoxin serotype A.
Plos One, 5, 2010
3AED
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BU of 3aed by Molmil
Crystal structure of porcine heart mitochondrial complex II bound with 2-Iodo-N-phenyl-benzamide
Descriptor: 2-iodo-N-phenylbenzamide, FE2/S2 (INORGANIC) CLUSTER, FE3-S4 CLUSTER, ...
Authors:Harada, S, Sasaki, T, Shindo, M, Kido, Y, Inaoka, D.K, Omori, J, Osanai, A, Sakamoto, K, Mao, J, Matsuoka, S, Inoue, M, Honma, T, Tanaka, A, Kita, K.
Deposit date:2010-02-04
Release date:2011-02-09
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (3.52 Å)
Cite:Crystal structure of porcine heart mitochondrial complex II bound with 2-Iodo-N-phenyl-benzamide
To be Published
7WCA
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BU of 7wca by Molmil
CATPO mutant - E484A
Descriptor: CALCIUM ION, Catalase, PENTAETHYLENE GLYCOL, ...
Authors:Yuzugullu Karakus, Y, Balci Unver, S, Zengin Karatas, M, Goc, G, Pearson, A.R, Yorke, B.
Deposit date:2021-12-18
Release date:2022-12-21
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (1.78 Å)
Cite:Investigation of how gate residues in the main channel affect the catalytic activity of Scytalidium thermophilum catalase.
Acta Crystallogr D Struct Biol, 80, 2024
3BXM
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BU of 3bxm by Molmil
Structure of an inactive mutant of human glutamate carboxypeptidase II [GCPII(E424A)] in complex with N-acetyl-Asp-Glu (NAAG)
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, ...
Authors:Lubkowski, J, Barinka, C.
Deposit date:2008-01-14
Release date:2009-01-27
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (1.71 Å)
Cite:Reaction mechanism of glutamate carboxypeptidase II revealed by mutagenesis, X-ray crystallography, and computational methods.
Biochemistry, 48, 2009
3C45
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BU of 3c45 by Molmil
Human dipeptidyl peptidase IV/CD26 in complex with a fluoroolefin inhibitor
Descriptor: (2S,3S)-3-{3-[2-chloro-4-(methylsulfonyl)phenyl]-1,2,4-oxadiazol-5-yl}-1-cyclopentylidene-4-cyclopropyl-1-fluorobutan-2-amine, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Scapin, G, Edmondson, S.D, Weber, A.E.
Deposit date:2008-01-29
Release date:2008-04-22
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2.05 Å)
Cite:Fluoroolefins as amide bond mimics in dipeptidyl peptidase IV inhibitors
Bioorg.Med.Chem.Lett., 18, 2008
3M37
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BU of 3m37 by Molmil
Factor XA in complex with the inhibitor 1-[2-(aminomethyl)phenyl]-N-(3-fluoro-2'-sulfamoylbiphenyl-4-yl)-3-(trifluoromethyl)-1H-pyrazole-5-carboxamide (DPC602)
Descriptor: 1-[2-(aminomethyl)phenyl]-N-(3-fluoro-2'-sulfamoylbiphenyl-4-yl)-3-(trifluoromethyl)-1H-pyrazole-5-carboxamide, CALCIUM ION, Coagulation factor X
Authors:Alexander, R.S.
Deposit date:2010-03-08
Release date:2010-04-21
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Discovery of 1-(2-Aminomethylphenyl)-3-trifluoromethyl-N-[3-fluoro-2'-(aminosulfonyl)[1,1'-biphenyl)]-1H-pyrazole-5-carboxyamide (DPC602), a Potent, Selective, and Orally Bioavailable Factor Xa Inhibitor.
J.Med.Chem., 46, 2003
3BYA
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BU of 3bya by Molmil
Structure of a Calmodulin Complex
Descriptor: CALCIUM ION, Calmodulin, Glutamate [NMDA] receptor subunit zeta-1 peptide
Authors:Birrane, G, Soni, A, Ladias, J.A.A.
Deposit date:2008-01-15
Release date:2009-01-20
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Structure of a Calmodulin Complex
To be Published
3CCC
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BU of 3ccc by Molmil
Crystal Structure of Human DPP4 in complex with a benzimidazole derivative
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 7-(aminomethyl)-6-(2-chlorophenyl)-1-methyl-1H-benzimidazole-5-carbonitrile, ...
Authors:Wallace, M.B, Skene, R.J.
Deposit date:2008-02-25
Release date:2008-10-21
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (2.71 Å)
Cite:Structure-based design and synthesis of benzimidazole derivatives as dipeptidyl peptidase IV inhibitors.
Bioorg.Med.Chem.Lett., 18, 2008
3N2G
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BU of 3n2g by Molmil
TUBULIN-NSC 613863: RB3 Stathmin-like domain complex
Descriptor: GUANOSINE-5'-DIPHOSPHATE, GUANOSINE-5'-TRIPHOSPHATE, MAGNESIUM ION, ...
Authors:Barbier, P, Dorleans, A, Devred, F, Sanz, L, Allegro, D, Alfonso, C, Knossow, M, Peyrot, V, Andreu, J.M.
Deposit date:2010-05-18
Release date:2010-07-28
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (4 Å)
Cite:Stathmin and interfacial microtubule inhibitors recognize a naturally curved conformation of tubulin dimers.
J.Biol.Chem., 285, 2010
3NBI
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BU of 3nbi by Molmil
Crystal structure of human RMI1 N-terminus
Descriptor: RecQ-mediated genome instability protein 1
Authors:Wang, F, Yang, Y, Singh, T.R, Busygina, V, Guo, R, Wan, K, Wang, W, Sung, P, Meetei, A.R, Lei, M.
Deposit date:2010-06-03
Release date:2010-09-22
Last modified:2017-11-08
Method:X-RAY DIFFRACTION (2 Å)
Cite:Crystal Structures of RMI1 and RMI2, Two OB-Fold Regulatory Subunits of the BLM Complex.
Structure, 18, 2010
3A0K
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BU of 3a0k by Molmil
Crystal structure of an antiflamatory legume lectin from Cymbosema roseum seeds
Descriptor: ALPHA-AMINOBUTYRIC ACID, CALCIUM ION, Cymbosema roseum mannose-specific lectin, ...
Authors:Rocha, B.A.M, Delatorre, P, Marinho, E.S, Benevides, R.G, Moura, T.R, Souza, L.A.G, Nascimento, K.S, Sampaio, A.H, Cavada, B.S.
Deposit date:2009-03-20
Release date:2010-04-07
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Structural basis for both pro- and anti-inflammatory response induced by mannose-specific legume lectin from Cymbosema roseum
Biochimie, 2011
3NKE
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BU of 3nke by Molmil
High resolution structure of the C-terminal domain CRISP-associated protein Cas1 from Escherichia coli str. K-12
Descriptor: 1,2-ETHANEDIOL, SULFATE ION, SULFITE ION, ...
Authors:Nocek, B, Skarina, T, Beloglazova, N, Savchenko, A, Joachimiak, A, Yakunin, A.
Deposit date:2010-06-18
Release date:2010-08-25
Last modified:2014-12-17
Method:X-RAY DIFFRACTION (1.4 Å)
Cite:A dual function of the CRISPR-Cas system in bacterial antivirus immunity and DNA repair.
Mol.Microbiol., 79, 2011
3A46
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BU of 3a46 by Molmil
Crystal structure of MvNei1/THF complex
Descriptor: DNA, Formamidopyrimidine-DNA glycosylase, GLYCEROL
Authors:Imamura, K, Wallace, S, Doublie, S.
Deposit date:2009-07-01
Release date:2009-07-21
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Structural Characterization of a Viral NEIL1 Ortholog Unliganded and Bound to Abasic Site-containing DNA
J.Biol.Chem., 284, 2009
3A45
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BU of 3a45 by Molmil
Crystal structure of MvNei1_2
Descriptor: Formamidopyrimidine-DNA glycosylase, POTASSIUM ION
Authors:Imamura, K, Wallace, S, Doublie, S.
Deposit date:2009-06-30
Release date:2009-07-21
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Structural Characterization of a Viral NEIL1 Ortholog Unliganded and Bound to Abasic Site-containing DNA
J.Biol.Chem., 284, 2009

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