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4NRW
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BU of 4nrw by Molmil
MvNei1-G86D
Descriptor: 5'-D(*CP*GP*TP*CP*CP*AP*(3DR)P*GP*TP*CP*TP*AP*C)-3', 5'-D(*GP*TP*AP*GP*AP*CP*CP*TP*GP*GP*AP*CP*G)-3', formamidopyrimidine-DNA glycosylase
Authors:Prakash, A, Doublie, S.
Deposit date:2013-11-27
Release date:2014-01-01
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.845 Å)
Cite:Genome and cancer single nucleotide polymorphisms of the human NEIL1 DNA glycosylase: Activity, structure, and the effect of editing.
Dna Repair, 14, 2014
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
4NCF
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BU of 4ncf by Molmil
Crystal structure of eukaryotic translation initiation factor eIF5B (399-852) from Saccharomyces cerevisiae in complex with GDP
Descriptor: Eukaryotic translation initiation factor 5B, GUANOSINE-5'-DIPHOSPHATE, MAGNESIUM ION
Authors:Kuhle, B, Ficner, R.
Deposit date:2013-10-24
Release date:2014-07-09
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (3.015 Å)
Cite:eIF5B employs a novel domain release mechanism to catalyze ribosomal subunit joining.
Embo J., 33, 2014
4NWN
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BU of 4nwn by Molmil
Computationally Designed Two-Component Self-Assembling Tetrahedral Cage T32-28
Descriptor: Propanediol utilization: polyhedral bodies pduT, Uncharacterized protein
Authors:McNamara, D.E, King, N.P, Bale, J.B, Sheffler, W, Baker, D, Yeates, T.O.
Deposit date:2013-12-06
Release date:2014-05-28
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (4.5 Å)
Cite:Accurate design of co-assembling multi-component protein nanomaterials.
Nature, 510, 2014
4NCX
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BU of 4ncx by Molmil
Crystal Structure of Prolyl-tRNA synthetase (ProRS, Proline--tRNA ligase) from Plasmodium falciparum 3D7
Descriptor: 1,2-ETHANEDIOL, CHLORIDE ION, Proline--tRNA ligase
Authors:Seattle Structural Genomics Center for Infectious Disease, Seattle Structural Genomics Center for Infectious Disease (SSGCID)
Deposit date:2013-10-25
Release date:2014-10-29
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Biochemical and Structural Characterization of Selective Allosteric Inhibitors of the Plasmodium falciparum Drug Target, Prolyl-tRNA-synthetase.
Acs Infect Dis., 3, 2017
4NDT
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BU of 4ndt by Molmil
Crystal structure of L. decastes alpha-galactosyl-binding lectin, orthorhombic crystal form
Descriptor: Alpha-galactosyl-binding lectin, SULFATE ION
Authors:Van Eerde, A, Grahn, E, Krengel, U.
Deposit date:2013-10-27
Release date:2014-12-10
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.03 Å)
Cite:Atomic-resolution structure of the alpha-galactosyl binding Lyophyllum decastes lectin reveals a new protein family found in both fungi and plants.
Glycobiology, 25, 2015
4NDX
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BU of 4ndx by Molmil
Crystal structure of Staphylococcal nuclease variant Delta+PHS I92N at cryogenic temperature
Descriptor: CALCIUM ION, THYMIDINE-3',5'-DIPHOSPHATE, Thermonuclease
Authors:Caro, J.A, Schlessman, J.L, Heroux, A, Garcia-Moreno E, B.
Deposit date:2013-10-28
Release date:2013-11-13
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.496 Å)
Cite:Polar cavities in proteins
To be Published
4NGN
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BU of 4ngn by Molmil
Crystal Structure of Glutamate Carboxypeptidase II in a complex with urea-based inhibitor
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:Tykvart, J, Pachl, P.
Deposit date:2013-11-02
Release date:2014-06-18
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (1.64 Å)
Cite:Rational design of urea-based glutamate carboxypeptidase II (GCPII) inhibitors as versatile tools for specific drug targeting and delivery.
Bioorg.Med.Chem., 22, 2014
4NHM
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BU of 4nhm by Molmil
Crystal structure of Tpa1p from Saccharomyces cerevisiae, termination and polyadenylation protein 1, in complex with N-[(1-chloro-4-hydroxyisoquinolin-3-yl)carbonyl]glycine (IOX3/UN9)
Descriptor: GLYCEROL, MANGANESE (II) ION, N-[(1-CHLORO-4-HYDROXYISOQUINOLIN-3-YL)CARBONYL]GLYCINE, ...
Authors:Scotti, J.S, McDonough, M.A, Schofield, C.J.
Deposit date:2013-11-05
Release date:2014-11-19
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Structure of the Ribosomal Oxygenase OGFOD1 Provides Insights into the Regio- and Stereoselectivity of Prolyl Hydroxylases.
Structure, 23, 2015
4MUV
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BU of 4muv by Molmil
M. loti cyclic-nucleotide binding domain mutant displaying inverted ligand selectivity, cyclic-GMP bound
Descriptor: CYCLIC GUANOSINE MONOPHOSPHATE, Cyclic nucleotide-gated potassium channel mll3241, SODIUM ION
Authors:Fonseca, F, Pessoa, J, Morais-Cabral, J.H.
Deposit date:2013-09-23
Release date:2014-06-25
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.25 Å)
Cite:Determinants of ligand selectivity in a cyclic nucleotide-regulated potassium channel.
J.Gen.Physiol., 144, 2014
4MW0
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BU of 4mw0 by Molmil
Trypanosoma brucei methionyl-tRNA synthetase in complex with inhibitor 1-{3-[(3,5-dichlorobenzyl)amino]propyl}-3-(2-hydroxyphenyl)urea (Chem 1392)
Descriptor: 1-{3-[(3,5-dichlorobenzyl)amino]propyl}-3-(2-hydroxyphenyl)urea, DIMETHYL SULFOXIDE, GLYCEROL, ...
Authors:Koh, C.Y, Kim, J.E, Wetzel, A.B, de van der Schueren, W.J, Shibata, S, Liu, J, Zhang, Z, Fan, E, Verlinde, C.L.M.J, Hol, W.G.J.
Deposit date:2013-09-24
Release date:2014-04-30
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.201 Å)
Cite:Structures of Trypanosoma brucei Methionyl-tRNA Synthetase with Urea-Based Inhibitors Provide Guidance for Drug Design against Sleeping Sickness.
Plos Negl Trop Dis, 8, 2014
4MT6
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BU of 4mt6 by Molmil
Crystal structure of closed inactive collybistin
Descriptor: Rho guanine nucleotide exchange factor 9
Authors:Schneeberger, D, Schindelin, H.
Deposit date:2013-09-19
Release date:2014-08-13
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (5.501 Å)
Cite:A conformational switch in collybistin determines the differentiation of inhibitory postsynapses.
Embo J., 33, 2014
4N23
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BU of 4n23 by Molmil
Crystal structure of the GP2 Core Domain from the California Academy of Science Virus, monoclinic symmetry
Descriptor: (4R)-2-METHYLPENTANE-2,4-DIOL, (4S)-2-METHYL-2,4-PENTANEDIOL, GP2 Ectodomain
Authors:Malashkevich, V.N, Koellhoffer, J.F, Dai, Z, Toro, R, Lai, J.R, Almo, S.C, New York Structural Genomics Research Consortium (NYSGRC)
Deposit date:2013-10-04
Release date:2013-11-27
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2 Å)
Cite:Structural Characterization of the Glycoprotein GP2 Core Domain from the CAS Virus, a Novel Arenavirus-Like Species.
J.Mol.Biol., 426, 2014
4MWS
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BU of 4mws by Molmil
Crystal structure of human PPCA (trigonal crystal form 1)
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, GLYCEROL, Lysosomal protective protein, ...
Authors:Kolli, N, Garman, S.C.
Deposit date:2013-09-25
Release date:2014-03-12
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Proteolytic activation of human cathepsin A.
J.Biol.Chem., 289, 2014
4MYE
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BU of 4mye by Molmil
Cymosema roseum seed lectin structure complexed with X-man
Descriptor: 5-bromo-4-chloro-1H-indol-3-yl alpha-D-mannopyranoside, CALCIUM ION, Cymbosema roseum mannose-specific lectin, ...
Authors:Barroso-Neto, I.L, Rocha, B.A.M, Teixeira, C.S, Santiago, M.Q, Souza, L.A.G, Pires, A.F, Assreuy, A.M.S, Delatorre, P, Cavada, B.S.
Deposit date:2013-09-27
Release date:2014-10-01
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.65 Å)
Cite:Cymosema roseum seed lectin structure complexed with X-man
To be Published
4MYP
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BU of 4myp by Molmil
Structure of the central NEAT domain, N2, of the listerial Hbp2 protein complexed with heme
Descriptor: GLYCEROL, Iron-regulated surface determinant protein A, PROTOPORPHYRIN IX CONTAINING FE, ...
Authors:Malmirchegini, G.R, Sawaya, M.R, Clubb, R.T.
Deposit date:2013-09-27
Release date:2014-10-22
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Novel Mechanism of Hemin Capture by Hbp2, the Hemoglobin-binding Hemophore from Listeria monocytogenes.
J.Biol.Chem., 289, 2014
4N8C
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BU of 4n8c by Molmil
Three-dimensional structure of the extracellular domain of Matrix protein 2 of influenza A virus
Descriptor: Extracellular domain of influenza Matrix protein 2, Heavy chain of monoclonal antibody, Light chain of monoclonal antibody
Authors:Cho, K.J, Seok, J.H, Kim, S, Roose, K, Schepens, B, Fiers, W, Saelens, X, Kim, K.H.
Deposit date:2013-10-17
Release date:2014-10-22
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Structure of the extracellular domain of matrix protein 2 of influenza A virus in complex with a protective monoclonal antibody
J.Virol., 89, 2015
4N0E
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BU of 4n0e by Molmil
Crystal structure of the K345L variant of the Gi alpha1 subunit bound to GDP
Descriptor: GUANOSINE-5'-DIPHOSPHATE, Guanine nucleotide-binding protein G(i) subunit alpha-1, SULFATE ION
Authors:Thaker, T.M, Preininger, A.M, Sarwar, M, Hamm, H.E, Iverson, T.M.
Deposit date:2013-10-01
Release date:2014-03-12
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:A Transient Interaction between the Phosphate Binding Loop and Switch I Contributes to the Allosteric Network between Receptor and Nucleotide in G alpha i1.
J.Biol.Chem., 289, 2014
4NAZ
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BU of 4naz by Molmil
Crystal Structure of FosB from Staphylococcus aureus with Zn and Sulfate at 1.15 Angstrom Resolution
Descriptor: GLYCEROL, Metallothiol transferase FosB, SULFATE ION, ...
Authors:Thompson, M.K, Goodman, M.C, Jagessar, K, Harp, J, Keithly, M.E, Cook, P.D, Armstrong, R.N.
Deposit date:2013-10-22
Release date:2014-02-26
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.15 Å)
Cite:Structure and Function of the Genomically Encoded Fosfomycin Resistance Enzyme, FosB, from Staphylococcus aureus.
Biochemistry, 53, 2014
4N34
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BU of 4n34 by Molmil
Structure of langerin CRD I313 with alpha-MeGlcNAc
Descriptor: C-type lectin domain family 4 member K, CALCIUM ION, methyl 2-acetamido-2-deoxy-alpha-D-glucopyranoside
Authors:Feinberg, H, Rowntree, T.J.W, Tan, S.L.W, Drickamer, K, Weis, W.I, Taylor, M.E.
Deposit date:2013-10-06
Release date:2013-11-20
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:Common polymorphisms in human langerin change specificity for glycan ligands.
J.Biol.Chem., 288, 2013
4N67
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BU of 4n67 by Molmil
Crystal Structure of the N-terminal Fic Domain of a Putative Cell Filamentation protein (VirB-translocated Bep effector protein) with bound ADP from Bartonella quintana
Descriptor: ADENOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, Putative cell filamentation protein
Authors:Seattle Structural Genomics Center for Infectious Disease (SSGCID)
Deposit date:2013-10-11
Release date:2014-09-24
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.55 Å)
Cite:Evolutionary Diversification of Host-Targeted Bartonella Effectors Proteins Derived from a Conserved FicTA Toxin-Antitoxin Module.
Microorganisms, 9, 2021
4N6Q
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BU of 4n6q by Molmil
Crystal structure of VosA velvet domain
Descriptor: IODIDE ION, NITRATE ION, VosA
Authors:Ahmed, Y.L, Dickmanns, A, Neumann, P, Ficner, R.
Deposit date:2013-10-14
Release date:2014-01-22
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.79 Å)
Cite:The Velvet Family of Fungal Regulators Contains a DNA-Binding Domain Structurally Similar to NF-kappa B.
Plos Biol., 11, 2013
4NK8
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BU of 4nk8 by Molmil
Crystal Structure of the periplasmic alginate epimerase AlgG D317A mutant
Descriptor: Poly(beta-D-mannuronate) C5 epimerase
Authors:Howell, P.L, Wolfram, F, Robinson, H.
Deposit date:2013-11-12
Release date:2014-01-15
Last modified:2017-11-22
Method:X-RAY DIFFRACTION (2.2924 Å)
Cite:Catalytic Mechanism and Mode of Action of the Periplasmic Alginate Epimerase AlgG.
J.Biol.Chem., 289, 2014
4NNH
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BU of 4nnh by Molmil
Structural basis for targeting the ribosomal protein S1 of Mycobacterium tuberculosis by pyrazinamide
Descriptor: 30S ribosomal protein S1
Authors:Yang, J, Liu, Y, Cai, Q, Lin, D.
Deposit date:2013-11-18
Release date:2014-12-24
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Structural basis for targeting the ribosomal protein S1 of Mycobacterium tuberculosis by pyrazinamide.
Mol.Microbiol., 95, 2015

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数据于2024-07-10公开中

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