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4NCY
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BU of 4ncy by Molmil
In situ trypsin crystallized on a MiTeGen micromesh with imidazole ligand
分子名称: 1,2-ETHANEDIOL, BENZAMIDINE, CALCIUM ION, ...
著者Yin, X, Scalia, A, Leroy, L, Cuttitta, C.M, Polizzo, G.M, Ericson, D.L, Roessler, C.G, Campos, O, Agarwal, R, Allaire, M, Orville, A.M, Jackimowicz, R, Ma, M.Y, Sweet, R.M, Soares, A.S.
登録日2013-10-25
公開日2014-04-09
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.42 Å)
主引用文献Hitting the target: fragment screening with acoustic in situ co-crystallization of proteins plus fragment libraries on pin-mounted data-collection micromeshes.
Acta Crystallogr.,Sect.D, 70, 2014
6WBS
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BU of 6wbs by Molmil
Human CFTR first nucleotide binding domain with dF508/V510D
分子名称: ADENOSINE-5'-TRIPHOSPHATE, Cystic fibrosis transmembrane conductance regulator, MAGNESIUM ION
著者Simon, K.S, Kothe, M, Hilbert, B, Batchelor, J.D, Hurlbut, G.D.
登録日2020-03-27
公開日2021-04-07
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.857 Å)
主引用文献Determining the Molecular Mechanism of Suppressor Mutation V510D and the Contribution of Helical Unraveling to the dF508-CFTR Defect
To Be Published
8R1I
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BU of 8r1i by Molmil
Human Carbonic Anhydrase II (hCAII) in complex with (R)-N-(3-Indol-1-yl-2-methyl-propyl)-4-sulfamoyl-benzamide
分子名称: (R)-N-(3-INDOL-1-YL-2-METHYL-PROPYL)-4-SULFAMOYL-BENZAMIDE, Carbonic anhydrase 2, ZINC ION
著者Kotschy, J, Gasper, R, Linser, R.
登録日2023-11-02
公開日2023-12-06
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.46 Å)
主引用文献Microsecond Timescale Conformational Dynamics of a Small-Molecule Ligand within the Active Site of a Protein.
Angew.Chem.Int.Ed.Engl., 63, 2024
6VLO
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BU of 6vlo by Molmil
X-ray Structure of the R141 Sugar 4,6-dehydratase from Acanthamoeba polyphaga Minivirus
分子名称: NICKEL (II) ION, NICOTINAMIDE-ADENINE-DINUCLEOTIDE, Putative dTDP-D-glucose 4,6-dehydratase, ...
著者Thoden, J.B, Ferek, J.D, Holden, H.M.
登録日2020-01-24
公開日2020-03-04
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.05 Å)
主引用文献Biochemical analysis of a sugar 4,6-dehydratase from Acanthamoeba polyphaga Mimivirus.
Protein Sci., 29, 2020
8SSO
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BU of 8sso by Molmil
AurA bound to danusertib and inhibiting monobody Mb2
分子名称: 1,2-ETHANEDIOL, ACETATE ION, Aurora kinase A, ...
著者Ludewig, H, Kim, C, Kern, D.
登録日2023-05-08
公開日2023-09-06
実験手法X-RAY DIFFRACTION (1.97 Å)
主引用文献A biophysical framework for double-drugging kinases.
Proc.Natl.Acad.Sci.USA, 120, 2023
4NJP
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BU of 4njp by Molmil
Proteolysis inside the membrane is a rate-governed reaction not Driven by substrate affinity
分子名称: Rhomboid protease GlpG
著者Dickey, S.W, Baker, R.P, Cho, S, Urban, S.
登録日2013-11-11
公開日2013-12-25
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Proteolysis inside the Membrane Is a Rate-Governed Reaction Not Driven by Substrate Affinity.
Cell(Cambridge,Mass.), 155, 2013
4LQX
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BU of 4lqx by Molmil
Crystal structure of a TENA/THI-4 domain-containing protein (SSO2700) from Sulfolobus solfataricus P2 at 2.34 A resolution
分子名称: 1,2-ETHANEDIOL, CHLORIDE ION, SULFATE ION, ...
著者Joint Center for Structural Genomics (JCSG)
登録日2013-07-19
公開日2013-09-04
最終更新日2023-02-01
実験手法X-RAY DIFFRACTION (2.34 Å)
主引用文献Crystal structure of a TENA/THI-4 domain-containing protein (SSO2700) from Sulfolobus solfataricus P2 at 2.34 A resolution
To be published
4NAU
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BU of 4nau by Molmil
S. aureus CoaD with Inhibitor
分子名称: 2-[2-[(1S,2S)-2-[(3,4-dichlorophenyl)methylcarbamoyl]cyclohexyl]-6-ethyl-pyrimidin-4-yl]-4-oxidanyl-6-oxidanylidene-1H-pyrimidine-5-carboxamide, PHOSPHOTHIOPHOSPHORIC ACID-ADENYLATE ESTER, Phosphopantetheine adenylyltransferase
著者Lahiri, S.D.
登録日2013-10-22
公開日2014-03-12
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.33 Å)
主引用文献Discovery of Inhibitors of 4'-Phosphopantetheine Adenylyltransferase (PPAT) To Validate PPAT as a Target for Antibacterial Therapy.
Antimicrob.Agents Chemother., 57, 2013
4NJN
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BU of 4njn by Molmil
Crystal Structure of E.coli GlpG at pH 4.5
分子名称: Rhomboid protease GlpG
著者Dickey, S.W, Baker, R.P, Cho, S, Urban, S.
登録日2013-11-11
公開日2013-12-25
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Proteolysis inside the Membrane Is a Rate-Governed Reaction Not Driven by Substrate Affinity.
Cell(Cambridge,Mass.), 155, 2013
4OHR
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BU of 4ohr by Molmil
Crystal structure of MilB from Streptomyces rimofaciens
分子名称: CMP/hydroxymethyl CMP hydrolase
著者Zhao, G, Zhang, Y, Liu, G, Wu, G, He, X.
登録日2014-01-17
公開日2014-06-25
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Structure of the N-glycosidase MilB in complex with hydroxymethyl CMP reveals its Arg23 specifically recognizes the substrate and controls its entry
Nucleic Acids Res., 42, 2014
8TUP
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BU of 8tup by Molmil
Cryo-EM structure of the human MRS2 magnesium channel under Mg2+-free condition
分子名称: MAGNESIUM ION, Magnesium transporter MRS2 homolog, mitochondrial
著者Lai, L.T.F, Balaraman, J, Zhou, F, Matthies, D.
登録日2023-08-16
公開日2023-09-13
最終更新日2024-05-01
実験手法ELECTRON MICROSCOPY (3.3 Å)
主引用文献Cryo-EM structures of human magnesium channel MRS2 reveal gating and regulatory mechanisms.
Nat Commun, 14, 2023
1HZO
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BU of 1hzo by Molmil
STRUCTURE OF CLASS A CEPHALOSPORINASE FROM PROTEUS VULGARIS K1
分子名称: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, BETA-LACTAMASE
著者Nukaga, M, Crichlow, G.V, Kuzin, A.P, Mayama, K, Knox, J.R.
登録日2001-01-25
公開日2002-04-03
最終更新日2023-08-09
実験手法X-RAY DIFFRACTION (1.75 Å)
主引用文献Structure of an extended-spectrum class A beta-lactamase from Proteus vulgaris K1.
J.Mol.Biol., 317, 2002
8TUL
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BU of 8tul by Molmil
Cryo-EM structure of the human MRS2 magnesium channel under Mg2+ condition
分子名称: MAGNESIUM ION, Magnesium transporter MRS2 homolog, mitochondrial
著者Lai, L.T.F, Balaraman, J, Zhou, F, Matthies, D.
登録日2023-08-16
公開日2023-09-13
最終更新日2024-05-01
実験手法ELECTRON MICROSCOPY (2.8 Å)
主引用文献Cryo-EM structures of human magnesium channel MRS2 reveal gating and regulatory mechanisms.
Nat Commun, 14, 2023
5LJO
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BU of 5ljo by Molmil
E. coli BAM complex (BamABCDE) by cryoEM
分子名称: Outer membrane protein assembly factor BamA, Outer membrane protein assembly factor BamB, Outer membrane protein assembly factor BamC, ...
著者Iadanza, M.G, Ranson, N.A, Radford, S.E, Higgins, A.J, Schffrin, B, Calabrese, A.N, Ashcroft, A.E, Brockwell, D.J.
登録日2016-07-19
公開日2016-10-12
最終更新日2024-05-08
実験手法ELECTRON MICROSCOPY (4.9 Å)
主引用文献Lateral opening in the intact beta-barrel assembly machinery captured by cryo-EM.
Nat Commun, 7, 2016
7POM
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BU of 7pom by Molmil
Three dimensional structure of human carbonic anhydrase IX in complex with sulfonamide
分子名称: Carbonic anhydrase 9, ZINC ION, methyl 2-chloranyl-4-cyclohexylsulfanyl-5-sulfamoyl-benzoate
著者Leitans, J, Tars, K.
登録日2021-09-09
公開日2022-01-12
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.98 Å)
主引用文献Methyl 2-Halo-4-Substituted-5-Sulfamoyl-Benzoates as High Affinity and Selective Inhibitors of Carbonic Anhydrase IX.
Int J Mol Sci, 23, 2021
3LZQ
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BU of 3lzq by Molmil
Crystal Structure Analysis of Manganese treated P19 protein from Campylobacter jejuni at 1.41 A at pH 9
分子名称: COPPER (II) ION, MANGANESE (II) ION, P19 protein, ...
著者Doukov, T.I, Chan, A.C.K, Scofield, M, Ramin, A.B, Tom-Yew, S.A.L, Murphy, M.E.P.
登録日2010-03-01
公開日2010-07-21
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (1.41 Å)
主引用文献Structure and Function of P19, a High-Affinity Iron Transporter of the Human Pathogen Campylobacter jejuni.
J.Mol.Biol., 401, 2010
5WLV
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BU of 5wlv by Molmil
Carbonic Anhydrase II in complex with aryloxy-2-hydroxypropylammine sulfonamide
分子名称: 4-{(2R)-2-hydroxy-3-[(propan-2-yl)amino]propoxy}-N-[2-(4-sulfamoylphenyl)ethyl]benzamide, Carbonic anhydrase 2, DIMETHYL SULFOXIDE, ...
著者Lomelino, C.L, Andring, J.T, McKenna, R.
登録日2017-07-27
公開日2018-08-01
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (1.4 Å)
主引用文献Discovery of beta-Adrenergic Receptors Blocker-Carbonic Anhydrase Inhibitor Hybrids for Multitargeted Antiglaucoma Therapy.
J. Med. Chem., 61, 2018
5WTR
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BU of 5wtr by Molmil
Crystal structure of a prokaryotic TRIC channel in 0.5 M KCl
分子名称: 1,2-ETHANEDIOL, POTASSIUM ION, TRISTEAROYLGLYCEROL, ...
著者Ou, X.M, Wang, L.F, Yang, H.T, Liu, X.Y, Liu, Z.F.
登録日2016-12-14
公開日2017-04-05
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Ion and water binding sites inside an occluded hourglass pore of a TRIC channel
BMC BIOL., 2017
1I2Y
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BU of 1i2y by Molmil
1.66 A STRUCTURE OF A-DUPLEX WITH BULGED ADENOSINE, SPERMINE FORM
分子名称: DNA/RNA (5'-R(*GP*CP*G)-D(P*AP*TP*AP*T)-R(P*AP*CP*GP*U)-3'), SPERMINE
著者Tereshko, V, Wallace, S, Usman, N, Wincott, F, Egli, M.
登録日2001-02-12
公開日2001-04-21
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (1.66 Å)
主引用文献X-ray crystallographic observation of "in-line" and "adjacent" conformations in a bulged self-cleaving RNA/DNA hybrid.
RNA, 7, 2001
3LZR
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BU of 3lzr by Molmil
Crystal Structure Analysis of Manganese treated P19 protein from Campylobacter jejuni at 2.73 A at pH 9 and Manganese peak wavelength (1.893 A)
分子名称: COPPER (II) ION, MANGANESE (II) ION, P19 protein, ...
著者Doukov, T.I, Chan, A.C.K, Scofield, M, Ramin, A.B, Tom-Yew, S.A.L, Murphy, M.E.P.
登録日2010-03-01
公開日2010-07-21
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (2.73 Å)
主引用文献Structure and Function of P19, a High-Affinity Iron Transporter of the Human Pathogen Campylobacter jejuni.
J.Mol.Biol., 401, 2010
5LH8
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BU of 5lh8 by Molmil
Trypsin inhibitors for the treatment of pancreatitis - cpd 8
分子名称: (2~{S},4~{S})-1-[4-(aminomethyl)-3-methoxy-phenyl]carbonyl-4-(4-cyclopropyl-1,2,3-triazol-1-yl)-~{N}-[(1~{S},2~{R})-2-phenylcyclohexyl]pyrrolidine-2-carboxamide, CALCIUM ION, Cationic trypsin, ...
著者Schiering, N, D'Arcy, A, Skaanderup, P, Simic, O, Brandl, T, Woelcke, J.
登録日2016-07-08
公開日2016-08-10
最終更新日2019-10-16
実験手法X-RAY DIFFRACTION (1.54 Å)
主引用文献Trypsin inhibitors for the treatment of pancreatitis.
Bioorg.Med.Chem.Lett., 26, 2016
5DT1
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BU of 5dt1 by Molmil
Crystal structure of human Fab CAP256-VRC26.25, a potent V1V2-directed HIV-1 broadly neutralizing antibody
分子名称: Fab Heavy chain of broadly neutralizing antibody VRC26.25, Fab Light chain of broadly neutralizing antibody VRC26.25, beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose
著者Gorman, J, Kwong, P.D.
登録日2015-09-17
公開日2015-10-21
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (1.954 Å)
主引用文献New Member of the V1V2-Directed CAP256-VRC26 Lineage That Shows Increased Breadth and Exceptional Potency.
J.Virol., 90, 2015
2ZHB
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BU of 2zhb by Molmil
Complex structure of AFCCA with tRNAminiDUC
分子名称: CCA-adding enzyme, SULFATE ION, tRNA (34-MER)
著者Toh, Y, Tomita, K.
登録日2008-02-01
公開日2008-08-05
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (3.05 Å)
主引用文献Molecular basis for maintenance of fidelity during the CCA-adding reaction by a CCA-adding enzyme
Embo J., 27, 2008
5DZW
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BU of 5dzw by Molmil
Protocadherin alpha 4 extracellular cadherin domains 1-4
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, Protocadherin alpha-4, ...
著者Goodman, K.M, Bahna, F, Mannepalli, S, Honig, B, Shapiro, L.
登録日2015-09-26
公開日2016-05-04
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.43 Å)
主引用文献Structural Basis of Diverse Homophilic Recognition by Clustered alpha- and beta-Protocadherins.
Neuron, 90, 2016
6E0D
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BU of 6e0d by Molmil
X-ray structure of a complex of thaumatin with xylene cyanol
分子名称: (1R,2R,3S,4R,6S)-4,6-diamino-2,3-dihydroxycyclohexyl 2,6-diamino-2,6-dideoxy-alpha-D-glucopyranoside, L(+)-TARTARIC ACID, Thaumatin I
著者McPherson, A.
登録日2018-07-06
公開日2018-09-19
最終更新日2020-07-29
実験手法X-RAY DIFFRACTION (2.24 Å)
主引用文献Investigation into the binding of dyes within protein crystals.
Acta Crystallogr F Struct Biol Commun, 74, 2018

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