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7CH4
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BU of 7ch4 by Molmil
Crystal structure of the SARS-CoV-2 S RBD in complex with BD-604 Fab
Descriptor: BD-604 Fab H, BD-604 Fab L, Spike protein S1
Authors:Du, S, Xiao, J.Y.
Deposit date:2020-07-05
Release date:2020-09-16
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (3.15 Å)
Cite:Structurally Resolved SARS-CoV-2 Antibody Shows High Efficacy in Severely Infected Hamsters and Provides a Potent Cocktail Pairing Strategy.
Cell, 183, 2020
4KDP
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BU of 4kdp by Molmil
TcaR-ssDNA complex crystal structure reveals the novel ssDNA binding mechanism of the MarR family proteins
Descriptor: 1,2-ETHANEDIOL, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, DNA (5'-D(*CP*GP*CP*AP*GP*CP*GP*CP*GP*CP*AP*GP*CP*CP*CP*TP*A)-3'), ...
Authors:Chang, Y.M, Chen, C.K.-M, Wang, A.H.-J.
Deposit date:2013-04-25
Release date:2014-03-19
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (3.6 Å)
Cite:TcaR-ssDNA complex crystal structure reveals new DNA binding mechanism of the MarR family proteins.
Nucleic Acids Res., 42, 2014
4KTK
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BU of 4ktk by Molmil
Crystal structure of Mycobacterium tuberculosis CYP121 in complex with 4-(3-amino-4-(4-hydroxyphenyl)-1H-pyrazol-5-yl)benzene-1,3-diol
Descriptor: 4-[3-amino-4-(4-hydroxyphenyl)-1H-pyrazol-5-yl]benzene-1,3-diol, Cytochrome P450 121, PROTOPORPHYRIN IX CONTAINING FE, ...
Authors:Hudson, S.A.
Deposit date:2013-05-20
Release date:2013-07-03
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.4 Å)
Cite:Overcoming the Limitations of Fragment Merging: Rescuing a Strained Merged Fragment Series Targeting Mycobacterium tuberculosis CYP121.
Chemmedchem, 8, 2013
4KTQ
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BU of 4ktq by Molmil
BINARY COMPLEX OF THE LARGE FRAGMENT OF DNA POLYMERASE I FROM T. AQUATICUS BOUND TO A PRIMER/TEMPLATE DNA
Descriptor: DNA (5'-D(*GP*AP*CP*CP*AP*CP*GP*GP*CP*GP*CP*(DOC))-3'), DNA (5'-D(*GP*GP*GP*CP*GP*CP*CP*GP*TP*GP*GP*TP*C)-3'), PROTEIN (LARGE FRAGMENT OF DNA POLYMERASE I)
Authors:Li, Y, Waksman, G.
Deposit date:1998-09-09
Release date:1999-01-13
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Crystal structures of open and closed forms of binary and ternary complexes of the large fragment of Thermus aquaticus DNA polymerase I: structural basis for nucleotide incorporation.
EMBO J., 17, 1998
4K0A
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BU of 4k0a by Molmil
Crystal structure of CD4-mimetic miniprotein M48U7 in complex with HIV-1 YU2 gp120
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, CD4-MIMETIC MINIPROTEIN M48U7, CITRATE ANION, ...
Authors:Acharya, P, Kwong, P.D.
Deposit date:2013-04-03
Release date:2013-06-12
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (2.13 Å)
Cite:Structural Basis for Highly Effective HIV-1 Neutralization by CD4-Mimetic Miniproteins Revealed by 1.5 A Cocrystal Structure of gp120 and M48U1.
Structure, 21, 2013
4KGB
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BU of 4kgb by Molmil
Structure of succinyl-CoA: 3-ketoacid CoA transferase from Drosophila melanogaster
Descriptor: SULFATE ION, Succinyl-CoA:3-ketoacid-coenzyme A transferase
Authors:Wang, Y.C, Shi, Z.B, Zhang, M.
Deposit date:2013-04-29
Release date:2013-10-23
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.64 Å)
Cite:Structure of succinyl-CoA:3-ketoacid CoA transferase from Drosophila melanogaster.
Acta Crystallogr.,Sect.F, 69, 2013
4K5E
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BU of 4k5e by Molmil
Structure of neuronal nitric oxide synthase heme domain in complex with (R)-1,2-bis((2-amino-4-methylpyridin-6-yl)-methoxy)-propan-3-amine
Descriptor: 5,6,7,8-TETRAHYDROBIOPTERIN, 6,6'-{[(2R)-3-aminopropane-1,2-diyl]bis(oxymethanediyl)}bis(4-methylpyridin-2-amine), ACETATE ION, ...
Authors:Li, H, Poulos, T.L.
Deposit date:2013-04-14
Release date:2013-09-18
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.892 Å)
Cite:Chiral linkers to improve selectivity of double-headed neuronal nitric oxide synthase inhibitors.
Bioorg.Med.Chem.Lett., 23, 2013
4K7L
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BU of 4k7l by Molmil
Crystal structure of RNase S variant (K7C/Q11C)
Descriptor: Ribonuclease pancreatic, SULFATE ION
Authors:Genz, M, Straeter, N.
Deposit date:2013-04-17
Release date:2014-05-14
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.38 Å)
Cite:Crystal structure of RNase S with a [Hg(Cys2)] metal center in the S-peptide as a template for structure-based design of artificial metalloenzymes using peptide-protein complementation
To be Published
4KO4
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BU of 4ko4 by Molmil
High X-ray dose structure of anaerobically purified Dm. baculatum [NiFeSe]-hydrogenase after crystallization under air
Descriptor: CALCIUM ION, CARBONMONOXIDE-(DICYANO) IRON, CHLORIDE ION, ...
Authors:Volbeda, A, Cavazza, C, Fontecilla-Camps, J.C.
Deposit date:2013-05-11
Release date:2013-07-10
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2 Å)
Cite:Structural foundations for the O2 resistance of Desulfomicrobium baculatum [NiFeSe]-hydrogenase.
Chem.Commun.(Camb.), 49, 2013
4KN9
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BU of 4kn9 by Molmil
High-resolution structure of H2-activated anaerobically purified Dm. baculatum [NiFeSe]-hydrogenase after crystallization under air
Descriptor: CALCIUM ION, CARBONMONOXIDE-(DICYANO) IRON, CHLORIDE ION, ...
Authors:Volbeda, A, Cavazza, C, Fontecilla-Camps, J.C.
Deposit date:2013-05-09
Release date:2013-07-10
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.4 Å)
Cite:Structural foundations for the O2 resistance of Desulfomicrobium baculatum [NiFeSe]-hydrogenase.
Chem.Commun.(Camb.), 49, 2013
4KQU
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BU of 4kqu by Molmil
Crystal Structure of Farnesyl Synthase Mutant (Y204A) Complexed with Mg, Alendronate and Isopentenyl Pyrophosphate
Descriptor: 3-METHYLBUT-3-ENYL TRIHYDROGEN DIPHOSPHATE, 4-AMINO-1-HYDROXYBUTANE-1,1-DIYLDIPHOSPHONATE, Farnesyl pyrophosphate synthase, ...
Authors:Barnett, B.L, Tsoumpra, M.K, Muniz, J.R.C, Walter, R.L.
Deposit date:2013-05-15
Release date:2014-04-30
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.07 Å)
Cite:Crystal Structure of Farnesyl Synthase Mutant (Y204A) Complexed with Mg, Alendronate and Isopentenyl Pyrophosphate
To be Published
7C8S
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BU of 7c8s by Molmil
Crystal structure of DUSP22 mutant_N128A
Descriptor: Dual specificity protein phosphatase 22, SULFATE ION
Authors:Lai, C.H, Lyu, P.C.
Deposit date:2020-06-03
Release date:2020-10-28
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.31 Å)
Cite:Structural Insights into the Active Site Formation of DUSP22 in N-loop-containing Protein Tyrosine Phosphatases.
Int J Mol Sci, 21, 2020
6WPC
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BU of 6wpc by Molmil
Crystal structure of Bacillus thuringiensis Cry1A.2 tryptic core variant
Descriptor: Cry1A.2
Authors:Rydel, T.J, Evdokimov, A.
Deposit date:2020-04-27
Release date:2021-03-17
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.99 Å)
Cite:Bacillus thuringiensis chimeric proteins Cry1A.2 and Cry1B.2 to control soybean lepidopteran pests: New domain combinations enhance insecticidal spectrum of activity and novel receptor contributions.
Plos One, 16, 2021
4KRG
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BU of 4krg by Molmil
SeMet Haemonchus contortus Phosphoethanolamine N-methyltransferase 1 in complex with phosphoethanolamine and S-adenosylhomocysteine
Descriptor: PHOSPHORIC ACID MONO-(2-AMINO-ETHYL) ESTER, Phosphoethanolamine N-methyltransferase 1, S-ADENOSYL-L-HOMOCYSTEINE, ...
Authors:Lee, S.G, Jez, J.M.
Deposit date:2013-05-16
Release date:2013-09-25
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (1.68 Å)
Cite:Evolution of structure and mechanistic divergence in di-domain methyltransferases from nematode phosphocholine biosynthesis.
Structure, 21, 2013
4KPN
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BU of 4kpn by Molmil
Plant nucleoside hydrolase - PpNRh1 enzyme
Descriptor: CALCIUM ION, Nucleoside N-ribohydrolase 1
Authors:Morera, S, Vigouroux, A, Kopecny, D.
Deposit date:2013-05-14
Release date:2013-11-27
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (3.35 Å)
Cite:Structure and Function of Nucleoside Hydrolases from Physcomitrella patens and Maize Catalyzing the Hydrolysis of Purine, Pyrimidine, and Cytokinin Ribosides.
Plant Physiol., 163, 2013
4KRZ
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BU of 4krz by Molmil
Apo crystal structure of pyruvate kinase (PYK) from Trypanosoma cruzi
Descriptor: GLYCEROL, POTASSIUM ION, Pyruvate kinase
Authors:Zhong, W, Morgan, H.P, McNae, I.W, Michels, P.A.M, Fothergill-Gilmore, L.A, Walkinshaw, M.D.
Deposit date:2013-05-17
Release date:2014-11-19
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Structures of pyruvate kinases display evolutionarily divergent allosteric strategies.
R Soc Open Sci, 1, 2014
4KQX
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BU of 4kqx by Molmil
Mutant Slackia exigua KARI DDV in complex with NAD and an inhibitor
Descriptor: HISTIDINE, Ketol-acid reductoisomerase, MAGNESIUM ION, ...
Authors:Brinkmann-Chen, S, Flock, T, Cahn, J.K.B, Snow, C.D, Brustad, E.M, Mcintosh, J.A, Meinhold, P, Zhang, L, Arnold, F.H.
Deposit date:2013-05-15
Release date:2013-06-26
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:General approach to reversing ketol-acid reductoisomerase cofactor dependence from NADPH to NADH.
Proc.Natl.Acad.Sci.USA, 110, 2013
4KSI
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BU of 4ksi by Molmil
Crystal Structure Analysis of the Acidic Leucine Aminopeptidase of Tomato
Descriptor: (4S)-2-METHYL-2,4-PENTANEDIOL, CHLORIDE ION, GLYCEROL, ...
Authors:DuPrez, K.T, Scranton, M, Walling, L, Fan, L.
Deposit date:2013-05-17
Release date:2013-06-12
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Structure of tomato wound-induced leucine aminopeptidase sheds light on substrate specificity.
Acta Crystallogr.,Sect.D, 70, 2014
4K3G
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BU of 4k3g by Molmil
Immunoglobulin lambda variable domain L5(L89S) fluorogen activating protein
Descriptor: alpha-D-mannopyranose, immunoglobulin lambda variable domain L5(L89S)
Authors:Stanfield, R.L, Szent-Gyorgyi, C, Wilson, I.A.
Deposit date:2013-04-10
Release date:2013-10-09
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (1.93 Å)
Cite:Malachite Green Mediates Homodimerization of Antibody VL Domains to Form a Fluorescent Ternary Complex with Singular Symmetric Interfaces.
J.Mol.Biol., 425, 2013
4K3V
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BU of 4k3v by Molmil
Structure of Staphylococcus aureus MntC
Descriptor: ABC superfamily ATP binding cassette transporter, binding protein, MANGANESE (II) ION
Authors:Parris, K.D, Mosyak, L.
Deposit date:2013-04-11
Release date:2013-07-17
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Three-Dimensional Structure and Biophysical Characterization of Staphylococcus aureus Cell Surface Antigen-Manganese Transporter MntC.
J.Mol.Biol., 425, 2013
6DS2
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BU of 6ds2 by Molmil
Crystal structure of Ni(II)-bound human calprotectin
Descriptor: NICKEL (II) ION, Protein S100-A8, Protein S100-A9, ...
Authors:Nolan, E.M, Drennan, C.L, Nakashige, T.G.
Deposit date:2018-06-13
Release date:2018-07-04
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Biophysical Examination of the Calcium-Modulated Nickel-Binding Properties of Human Calprotectin Reveals Conformational Change in the EF-Hand Domains and His3Asp Site.
Biochemistry, 57, 2018
4KB0
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BU of 4kb0 by Molmil
Crystal structure of RNase T in complex with a bluge DNA (Two nucleotide insertion CC )
Descriptor: DNA (5'-D(*GP*GP*CP*CP*CP*TP*CP*TP*TP*TP*AP*GP*GP*GP*CP*CP*CP*C)-3'), MAGNESIUM ION, Ribonuclease T
Authors:Hsiao, Y.-Y, Yuan, H.S.
Deposit date:2013-04-23
Release date:2014-03-05
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.004 Å)
Cite:Structural insights into DNA repair by RNase T--an exonuclease processing 3' end of structured DNA in repair pathways.
Plos Biol., 12, 2014
4KBF
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BU of 4kbf by Molmil
two different open conformations of the helicase core of the RNA helicase Hera
Descriptor: ADENOSINE MONOPHOSPHATE, Heat resistant RNA dependent ATPase, SODIUM ION, ...
Authors:Rudolph, M.G, Klostermeier, D.
Deposit date:2013-04-23
Release date:2013-07-31
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Rearranging RNA structures at 75C? toward the molecular mechanism and physiological function of the thermus thermophilus DEAD-box helicase hera.
Biopolymers, 99, 2013
4KCJ
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BU of 4kcj by Molmil
Structure of neuronal nitric oxide synthase heme domain in complex with N,N'-((ethane-1,2-diylbis(oxy))bis(3,1-phenylene))bis(thiophene-2-carboximidamide)
Descriptor: 5,6,7,8-TETRAHYDROBIOPTERIN, ACETATE ION, N,N'-[ethane-1,2-diylbis(oxybenzene-3,1-diyl)]dithiophene-2-carboximidamide, ...
Authors:Li, H, Poulos, T.L.
Deposit date:2013-04-24
Release date:2014-02-12
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.05 Å)
Cite:Potent and Selective Double-Headed Thiophene-2-carboximidamide Inhibitors of Neuronal Nitric Oxide Synthase for the Treatment of Melanoma.
J.Med.Chem., 57, 2014
4KD1
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BU of 4kd1 by Molmil
CDK2 in complex with Dinaciclib
Descriptor: 1,2-ETHANEDIOL, 3-[({3-ethyl-5-[(2S)-2-(2-hydroxyethyl)piperidin-1-yl]pyrazolo[1,5-a]pyrimidin-7-yl}amino)methyl]-1-hydroxypyridinium, Cyclin-dependent kinase 2
Authors:Martin, M.P, Schonbrunn, E.
Deposit date:2013-04-24
Release date:2013-09-18
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Cyclin-dependent kinase inhibitor dinaciclib interacts with the acetyl-lysine recognition site of bromodomains.
Acs Chem.Biol., 8, 2013

223790

数据于2024-08-14公开中

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