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4U7Y
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Structure of the complex of VPS4B MIT and IST1 MIM
Descriptor: IST1 homolog, Vacuolar protein sorting-associated protein 4B
Authors:Guo, E.Z, Xu, Z.
Deposit date:2014-07-31
Release date:2015-02-11
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.502 Å)
Cite:Distinct Mechanisms of Recognizing Endosomal Sorting Complex Required for Transport III (ESCRT-III) Protein IST1 by Different Microtubule Interacting and Trafficking (MIT) Domains.
J.Biol.Chem., 290, 2015
4UC1
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BU of 4uc1 by Molmil
High resolution crystal structure of translocator protein 18kDa (TSPO) from Rhodobacter sphaeroides (A139T Mutant) in C2 space group
Descriptor: (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, (2S)-1-(hexadecanoyloxy)-3-hydroxypropan-2-yl (11Z)-octadec-11-enoate, METHOXY-ETHOXYL, ...
Authors:Li, F, Liu, J, Zheng, Y, Garavito, R.M, Ferguson-Miller, S.
Deposit date:2014-08-13
Release date:2015-02-04
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Crystal structures of translocator protein (TSPO) and mutant mimic of a human polymorphism.
Science, 347, 2015
4UA7
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CTX-M-14 Class A Beta-Lactamase in Complex with a Non-Covalent Inhibitor at Sub-Angstrom Resolution
Descriptor: Beta-lactamase CTX-M-14, N-[3-(2H-tetrazol-5-yl)phenyl]-6-(trifluoromethyl)-1H-benzimidazole-4-carboxamide, PHOSPHATE ION
Authors:Nichols, D.A, Chen, Y.
Deposit date:2014-08-08
Release date:2015-06-24
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (0.89 Å)
Cite:Ligand-Induced Proton Transfer and Low-Barrier Hydrogen Bond Revealed by X-ray Crystallography.
J.Am.Chem.Soc., 137, 2015
4UBM
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BU of 4ubm by Molmil
KINETIC CRYSTALLOGRAPHY OF ALPHA_E7-CARBOXYLESTERSE FROM LUCILLA CUPRINA - ABSORBED X-RAY DOSE 11.11 MGy at 100K
Descriptor: DIETHYL HYDROGEN PHOSPHATE, E3
Authors:Jackson, C.J, Carr, P.D, Weik, M, Huber, T, Meirelles, T, Correy, G.
Deposit date:2014-08-13
Release date:2015-08-19
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Mapping the Accessible Conformational Landscape of an Insect Carboxylesterase Using Conformational Ensemble Analysis and Kinetic Crystallography
Structure, 24, 2016
4UC3
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BU of 4uc3 by Molmil
Translocator protein 18 kDa (TSPO) from Rhodobacter sphaeroides wild type
Descriptor: (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, (2S)-2-(hexadecanoyloxy)-3-hydroxypropyl (9Z)-octadec-9-enoate, TRANSLOCATOR PROTEIN TSPO
Authors:Li, F, Liu, J, Zheng, Y, Garavito, R.M, Ferguson-Miller, S.
Deposit date:2014-08-13
Release date:2015-02-04
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Crystal structures of translocator protein (TSPO) and mutant mimic of a human polymorphism.
Science, 347, 2015
4U2W
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BU of 4u2w by Molmil
Atomic resolution crystal structure of HV-BBI protease inhibitor from amphibian skin in complex with bovine trypsin
Descriptor: 1,2-ETHANEDIOL, Bowman-Birk trypsin inhibitor, CALCIUM ION, ...
Authors:Grudnik, P, Golik, P, Malicki, S, Debowski, D, Legowska, A, Rolka, K, Dubin, G.
Deposit date:2014-07-18
Release date:2015-01-14
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (1 Å)
Cite:Atomic resolution crystal structure of HV-BBI protease inhibitor from amphibian skin in complex with bovine trypsin.
Proteins, 83, 2015
4U5U
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BU of 4u5u by Molmil
IMPORTIN-ALPHA MINOR NLS SITE INHIBITOR
Descriptor: Importin subunit alpha-1, N~2~-[3-(pyridin-3-yl)benzyl]-L-lysinamide
Authors:Stewart, M, Valkov, E, Holvey, R.S.
Deposit date:2014-07-25
Release date:2015-05-13
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (1.96 Å)
Cite:Selective Targeting of the TPX2 Site of Importin-alpha Using Fragment-Based Ligand Design.
Chemmedchem, 10, 2015
4U65
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BU of 4u65 by Molmil
Structure of the periplasmic output domain of the Legionella pneumophila LapD ortholog CdgS9 in complex with Pseudomonas fluorescens LapG
Descriptor: CALCIUM ION, Putative cystine protease, Two component histidine kinase, ...
Authors:Chatterjee, D, Cooley, R.B, Boyd, C.D, Mehl, R.A, O'Toole, G.A, Sondermann, H.S.
Deposit date:2014-07-27
Release date:2014-08-13
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Mechanistic insight into the conserved allosteric regulation of periplasmic proteolysis by the signaling molecule cyclic-di-GMP.
Elife, 3, 2014
4U6C
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BU of 4u6c by Molmil
HsMetAP in complex with [(1R)-1-amino-3-cyclopentylpropyl]phosphonic acid
Descriptor: COBALT (II) ION, GLYCEROL, Methionine aminopeptidase 1, ...
Authors:Arya, T, Addlagatta, A.
Deposit date:2014-07-28
Release date:2015-03-25
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (1.91 Å)
Cite:Identification of the Molecular Basis of Inhibitor Selectivity between the Human and Streptococcal Type I Methionine Aminopeptidases
J.Med.Chem., 58, 2015
4U5W
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BU of 4u5w by Molmil
Crystal Structure of HIV-1 Nef-SF2 Core Domain in Complex with the Src Family Kinase Hck SH3-SH2 Tandem Regulatory Domains
Descriptor: (4S)-2-METHYL-2,4-PENTANEDIOL, IODIDE ION, Protein Nef, ...
Authors:Alvarado, J.J, Yeh, J.I, Smithgall, T.E.
Deposit date:2014-07-25
Release date:2014-08-20
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.86 Å)
Cite:Interaction with the Src Homology (SH3-SH2) Region of the Src-family Kinase Hck Structures the HIV-1 Nef Dimer for Kinase Activation and Effector Recruitment.
J.Biol.Chem., 289, 2014
4U63
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BU of 4u63 by Molmil
Crystal structure of a bacterial class III photolyase from Agrobacterium tumefaciens at 1.67A resolution
Descriptor: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 5,10-METHENYL-6,7,8-TRIHYDROFOLIC ACID, DNA photolyase, ...
Authors:Scheerer, P, Zhang, F, Kalms, J, von Stetten, D, Krauss, N, Oberpichler, I, Lamparter, T.
Deposit date:2014-07-26
Release date:2015-03-25
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (1.67 Å)
Cite:The Class III Cyclobutane Pyrimidine Dimer Photolyase Structure Reveals a New Antenna Chromophore Binding Site and Alternative Photoreduction Pathways.
J.Biol.Chem., 290, 2015
4U64
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BU of 4u64 by Molmil
Structure of the periplasmic output domain of the Legionella pneumophila LapD ortholog CdgS9 in the apo state
Descriptor: Two component histidine kinase, GGDEF domain protein/EAL domain protein
Authors:Chatterjee, D, Cooley, R.B, Boyd, C.D, Mehl, R.A, O'Toole, G.A, Sondermann, H.S.
Deposit date:2014-07-27
Release date:2014-08-13
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (2.141 Å)
Cite:Mechanistic insight into the conserved allosteric regulation of periplasmic proteolysis by the signaling molecule cyclic-di-GMP.
Elife, 3, 2014
4U69
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BU of 4u69 by Molmil
HsMetAP complex with (1-amino-2-methylpentyl)phosphonic acid
Descriptor: COBALT (II) ION, Methionine aminopeptidase 1, POTASSIUM ION, ...
Authors:Arya, T, Addlagatta, A.
Deposit date:2014-07-28
Release date:2015-03-25
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Identification of the Molecular Basis of Inhibitor Selectivity between the Human and Streptococcal Type I Methionine Aminopeptidases
J.Med.Chem., 58, 2015
4U6D
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BU of 4u6d by Molmil
Zg3615, a family 117 glycoside hydrolase in complex with beta-3,6-anhydro-L-galactose
Descriptor: 1,2-ETHANEDIOL, 3,6-anhydro-beta-L-galactopyranose, CALCIUM ION, ...
Authors:Ficko-Blean, E.
Deposit date:2014-07-28
Release date:2015-02-11
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Biochemical and structural investigation of two paralogous glycoside hydrolases from Zobellia galactanivorans: novel insights into the evolution, dimerization plasticity and catalytic mechanism of the GH117 family.
Acta Crystallogr.,Sect.D, 71, 2015
4U6N
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BU of 4u6n by Molmil
Crystal structure of Escherichia coli DiaA
Descriptor: CHLORIDE ION, DnaA initiator-associating protein DiaA
Authors:Oakley, A.J, Lo, T.
Deposit date:2014-07-29
Release date:2014-08-06
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.91 Å)
Cite:Crystal structure of Escherichia coli DiaA
To Be Published
4U70
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BU of 4u70 by Molmil
HsMetAP (F309M) in complex with (1-amino-2-cyclohexylethyl)phosphonic acid
Descriptor: COBALT (II) ION, Methionine aminopeptidase 1, POTASSIUM ION, ...
Authors:Arya, T, Addlagatta, A.
Deposit date:2014-07-30
Release date:2015-03-25
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Identification of the Molecular Basis of Inhibitor Selectivity between the Human and Streptococcal Type I Methionine Aminopeptidases
J.Med.Chem., 58, 2015
4U76
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BU of 4u76 by Molmil
HsMetAP (F309M) holo form
Descriptor: COBALT (II) ION, GLYCEROL, Methionine aminopeptidase 1, ...
Authors:Arya, T, Addlagatta, A.
Deposit date:2014-07-30
Release date:2015-03-25
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (1.87 Å)
Cite:Identification of the Molecular Basis of Inhibitor Selectivity between the Human and Streptococcal Type I Methionine Aminopeptidases
J.Med.Chem., 58, 2015
4U8E
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BU of 4u8e by Molmil
Crystal structure of 4-deoxy-L-threo-5-hexosulose-uronate ketol-isomerase from Streptococcus agalactiae
Descriptor: Putative uncharacterized protein gbs1892
Authors:Maruyama, y, Oiki, S, Takase, R, Mikami, B, Murata, K, Hashimoto, W.
Deposit date:2014-08-03
Release date:2015-01-21
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2 Å)
Cite:Metabolic Fate of Unsaturated Glucuronic/Iduronic Acids from Glycosaminoglycans: MOLECULAR IDENTIFICATION AND STRUCTURE DETERMINATION OF STREPTOCOCCAL ISOMERASE AND DEHYDROGENASE
J.Biol.Chem., 290, 2015
4U90
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BU of 4u90 by Molmil
GephE in complex with PEG crosslinked GABA receptor alpha3 subunit derived dimeric peptide
Descriptor: 1,1'-[ethane-1,2-diylbis(oxyethane-2,1-diyl)]bis(1H-pyrrole-2,5-dione), 1,4-BUTANEDIOL, Gamma-aminobutyric acid receptor subunit alpha-3, ...
Authors:Kasaragod, V.B, Maric, H.M, Schindelin, H.
Deposit date:2014-08-05
Release date:2014-12-10
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (2 Å)
Cite:Design and Synthesis of High-Affinity Dimeric Inhibitors Targeting the Interactions between Gephyrin and Inhibitory Neurotransmitter Receptors.
Angew.Chem.Int.Ed.Engl., 54, 2015
4U8W
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BU of 4u8w by Molmil
HIV-1 wild Type protease with GRL-050-10A (a Gem-difluoro-bis-Tetrahydrofuran as P2-Ligand)
Descriptor: (3R,3aS,6aS)-4,4-difluorohexahydrofuro[2,3-b]furan-3-yl [(2S,3R)-4-{[(4-aminophenyl)sulfonyl](2-methylpropyl)amino}-3-hydroxy-1-phenylbutan-2-yl]carbamate, ACETATE ION, CHLORIDE ION, ...
Authors:Wang, Y.-F, Agniswamy, J, Weber, I.T.
Deposit date:2014-08-05
Release date:2014-11-05
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.3 Å)
Cite:Design of gem-Difluoro-bis-Tetrahydrofuran as P2 Ligand for HIV-1 Protease Inhibitors to Improve Brain Penetration: Synthesis, X-ray Studies, and Biological Evaluation.
Chemmedchem, 10, 2015
4U9A
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BU of 4u9a by Molmil
Sulphur Anomalous Crystal Structure of Asymmetric IRAK4 Dimer
Descriptor: Interleukin-1 receptor-associated kinase 4, STAUROSPORINE, SULFATE ION
Authors:Ferrao, R, Liu, Q, Wu, H.
Deposit date:2014-08-05
Release date:2014-09-24
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:IRAK4 Dimerization and trans-Autophosphorylation Are Induced by Myddosome Assembly.
Mol.Cell, 55, 2014
4U99
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BU of 4u99 by Molmil
Crystal structure of an H-NOX protein from S. oneidensis in the Fe(II) ligation state, Q154A/Q155A/K156A mutant
Descriptor: NO-binding heme-dependent sensor protein, PROTOPORPHYRIN IX CONTAINING FE, SODIUM ION, ...
Authors:Herzik Jr, M.A, Jonnalagadda, R, Kuriyan, J, Marletta, M.A.
Deposit date:2014-08-05
Release date:2014-10-01
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2 Å)
Cite:Structural insights into the role of iron-histidine bond cleavage in nitric oxide-induced activation of H-NOX gas sensor proteins.
Proc.Natl.Acad.Sci.USA, 111, 2014
4U9J
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BU of 4u9j by Molmil
Crystal structure of an H-NOX protein from S. oneidensis in the Mn(II) ligation state, Q154A/Q155A/K156A mutant
Descriptor: MANGANESE PROTOPORPHYRIN IX, NO-binding heme-dependent sensor protein, SODIUM ION, ...
Authors:Herzik Jr, M.A, Jonnalagadda, R, Kuriyan, J, Marletta, M.A.
Deposit date:2014-08-06
Release date:2014-10-01
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Structural insights into the role of iron-histidine bond cleavage in nitric oxide-induced activation of H-NOX gas sensor proteins.
Proc.Natl.Acad.Sci.USA, 111, 2014
4UAE
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BU of 4uae by Molmil
Importin alpha 3 delta IBB in complex with Influenza PB2 Nuclear Localization Domain
Descriptor: Importin subunit alpha-3, Polymerase basic protein 2, SULFATE ION
Authors:Pumroy, R.A, Cingolani, G.
Deposit date:2014-08-08
Release date:2015-02-04
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Molecular Determinants for Nuclear Import of Influenza A PB2 by Importin alpha Isoforms 3 and 7.
Structure, 23, 2015
4UAD
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Importin alpha 7 delta IBB in complex with Influenza PB2 Nuclear Localization Domain
Descriptor: Importin subunit alpha-7, Polymerase basic protein 2
Authors:Pumroy, R.A, Cingolani, G.
Deposit date:2014-08-08
Release date:2015-02-04
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (2.42 Å)
Cite:Molecular Determinants for Nuclear Import of Influenza A PB2 by Importin alpha Isoforms 3 and 7.
Structure, 23, 2015

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