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5KWE
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BU of 5kwe by Molmil
Thermostable mutant of halohydrin dehalogenase HheC - C153N
Descriptor: CHLORIDE ION, Halohydrin dehalogenase, SODIUM ION
Authors:Dal Lago, M, Terwisschavvan Scheltinga, A.C.
Deposit date:2016-07-18
Release date:2017-01-11
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.684 Å)
Cite:A robust cosolvent-compatible halohydrin dehalogenase by computational library design.
Protein Eng. Des. Sel., 30, 2017
2J9Y
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BU of 2j9y by Molmil
Tryptophan Synthase Q114N mutant in complex with Compound II
Descriptor: (3E)-4-{3-HYDROXY-2-METHYL-5-[(PHOSPHONOOXY)METHYL]PYRIDIN-4-YL}-2-IMINOBUT-3-ENOIC ACID, SODIUM ION, TRYPTOPHAN SYNTHASE ALPHA CHAIN, ...
Authors:Blumenstein, L, Domratcheva, T, Niks, D, Ngo, H, Seidel, R, Dunn, M.F, Schlichting, I.
Deposit date:2006-11-16
Release date:2007-12-04
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Betaq114N and Betat110V Mutations Reveal a Critically Important Role of the Substrate Alpha-Carboxylate Site in the Reaction Specificity of Tryptophan Synthase.
Biochemistry, 46, 2007
8E4F
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BU of 8e4f by Molmil
Crystal structure of dihydrofolate reductase (DHFR) from the filarial nematode W. bancrofti in complex with NADPH and folate
Descriptor: Dihydrofolate reductase, FOLIC ACID, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, ...
Authors:Lange, K, Frey, K.M, Goodey, N.M.
Deposit date:2022-08-18
Release date:2023-05-10
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (2.47 Å)
Cite:Crystal structure of dihydrofolate reductase from the filarial nematode W. bancrofti in complex with NADPH and folate.
Plos Negl Trop Dis, 17, 2023
2J9Z
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BU of 2j9z by Molmil
Tryptophan Synthase T110 mutant complex
Descriptor: PYRIDOXAL-5'-PHOSPHATE, SODIUM ION, TRYPTOPHAN SYNTHASE ALPHA CHAIN, ...
Authors:Blumenstein, L, Domratcheva, T, Niks, D, Ngo, H, Seidel, R, Dunn, M.F, Schlichting, I.
Deposit date:2006-11-16
Release date:2007-12-04
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Betaq114N and Betat110V Mutations Reveal a Critically Important Role of the Substrate Alpha-Carboxylate Site in the Reaction Specificity of Tryptophan Synthase.
Biochemistry, 46, 2007
8DQ2
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BU of 8dq2 by Molmil
X-ray crystal structure of Hansschlegelia quercus lanmodulin (LanM) with lanthanum (III) bound at pH 7
Descriptor: CITRIC ACID, EF-hand domain-containing protein, LANTHANUM (III) ION, ...
Authors:Jung, J.J, Lin, C.-Y, Boal, A.K.
Deposit date:2022-07-18
Release date:2023-06-07
Last modified:2024-05-22
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Enhanced rare-earth separation with a metal-sensitive lanmodulin dimer.
Nature, 618, 2023
6D64
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BU of 6d64 by Molmil
Crystal Structure of Human CD1b in Complex with POPC
Descriptor: (2S)-3-(hexadecanoyloxy)-2-[(9Z)-octadec-9-enoyloxy]propyl 2-(trimethylammonio)ethyl phosphate, 1,2-ETHANEDIOL, Beta-2-microglobulin, ...
Authors:Shahine, A.E, Rossjohn, J.
Deposit date:2018-04-20
Release date:2019-01-16
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:A T-cell receptor escape channel allows broad T-cell response to CD1b and membrane phospholipids.
Nat Commun, 10, 2019
8E3K
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BU of 8e3k by Molmil
Human PU.1 ETS-Domain (165-270) Bound to d(AATAAGCGGAAGTGGG)
Descriptor: DNA (5'-D(*AP*AP*TP*AP*AP*GP*CP*GP*GP*AP*AP*GP*TP*GP*GP*G)-3'), DNA (5'-D(*TP*CP*CP*CP*AP*CP*TP*TP*CP*CP*GP*CP*TP*TP*AP*T)-3'), SODIUM ION, ...
Authors:Terrell, J.R, Poon, G.M.K.
Deposit date:2022-08-17
Release date:2023-07-05
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (1.28 Å)
Cite:DNA selection by the master transcription factor PU.1.
Cell Rep, 42, 2023
8E5Y
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BU of 8e5y by Molmil
Human PU.1 ETS-Domain Bound to d(AATAAGCGGAAGTGGG) Acetate Free at pH 5.4
Descriptor: DNA (5'-D(*AP*AP*TP*AP*AP*GP*CP*GP*GP*AP*AP*GP*TP*GP*GP*G)-3'), DNA (5'-D(*TP*CP*CP*CP*AP*CP*TP*TP*CP*CP*GP*CP*TP*TP*AP*T)-3'), SODIUM ION, ...
Authors:Terrell, J.R, Poon, G.M.K.
Deposit date:2022-08-22
Release date:2023-07-05
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (1.32 Å)
Cite:DNA selection by the master transcription factor PU.1.
Cell Rep, 42, 2023
6KQT
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BU of 6kqt by Molmil
Crystal Structure of GH136 lacto-N-biosidase from Eubacterium ramulus - native protein
Descriptor: SODIUM ION, TRIETHYLENE GLYCOL, beta-D-galactopyranose-(1-3)-2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Yamada, C, Arakawa, T, Pichler, M.J, Abou Hachem, M, Fushinobu, S.
Deposit date:2019-08-18
Release date:2020-06-10
Last modified:2024-03-27
Method:X-RAY DIFFRACTION (2 Å)
Cite:Butyrate producing colonic Clostridiales metabolise human milk oligosaccharides and cross feed on mucin via conserved pathways.
Nat Commun, 11, 2020
8DUZ
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BU of 8duz by Molmil
Protective antibody against gonococcal lipooligosaccharide bound to peptide mimetic
Descriptor: ACETATE ION, CHLORIDE ION, GLYCEROL, ...
Authors:Beernink, P.T, Beernink, B.P, Rice, P.A, Ram, S.
Deposit date:2022-07-27
Release date:2023-07-05
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (1.65 Å)
Cite:Protective antibody against gonococcal lipooligosaccharide bound to peptide mimetic
to be published
8DN0
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BU of 8dn0 by Molmil
E.coli DsbA in complex with N-(2-fluorophenyl)-5-methylisoxazole-3-carboxamide
Descriptor: 1,2-ETHANEDIOL, COPPER (II) ION, N-(2-fluorophenyl)-5-methyl-1,2-oxazole-3-carboxamide, ...
Authors:Wang, G, Heras, B.
Deposit date:2022-07-10
Release date:2023-06-21
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (1.57 Å)
Cite:E.coli DsbA in complex with N-(2-fluorophenyl)-5-methylisoxazole-3-carboxamide
To Be Published
8DMR
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BU of 8dmr by Molmil
Legionella macrodomain effector MavL R370A in complex with ADP-ribose
Descriptor: 1,2-ETHANEDIOL, DI(HYDROXYETHYL)ETHER, MavL, ...
Authors:Zhang, Z, Das, C.
Deposit date:2022-07-08
Release date:2023-07-12
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (1.86 Å)
Cite:Structure of ADP-ribose-bound Legionella pneumophila macrodomain effector MavL R370A
To Be Published
8E9A
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BU of 8e9a by Molmil
Crystal structure of AsfvPolX in complex with 10-23 DNAzyme and Mg
Descriptor: DNA/RNA (52-MER), MAGNESIUM ION, Repair DNA polymerase X, ...
Authors:Cramer, E.R, Robart, A.R, Kaya, A.I.
Deposit date:2022-08-26
Release date:2023-06-21
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (2.69 Å)
Cite:Structure of a 10-23 deoxyribozyme exhibiting a homodimer conformation.
Commun Chem, 6, 2023
6DFG
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BU of 6dfg by Molmil
BG505 MD39 SOSIP trimer in complex with mature BG18 fragment antigen binding
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Envelope glycoprotein gp160, ...
Authors:Ozorowski, G, Steichen, J.M, Schief, W.R, Ward, A.B.
Deposit date:2018-05-14
Release date:2019-11-06
Last modified:2020-07-29
Method:ELECTRON MICROSCOPY (4.42 Å)
Cite:A generalized HIV vaccine design strategy for priming of broadly neutralizing antibody responses.
Science, 366, 2019
6KRG
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BU of 6krg by Molmil
Crystal structure of sfGFP Y182TMSiPhe
Descriptor: CHLORIDE ION, GLYCEROL, Green fluorescent protein, ...
Authors:Sun, J.P, Wang, J.Y, Zhu, Z.L, He, Q.T, Xiao, P.
Deposit date:2019-08-21
Release date:2020-09-09
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.4 Å)
Cite:DeSiphering receptor core-induced and ligand-dependent conformational changes in arrestin via genetic encoded trimethylsilyl 1 H-NMR probe.
Nat Commun, 11, 2020
8DTQ
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BU of 8dtq by Molmil
Crystal Structure of Staphylococcus aureus pSK41 Cop
Descriptor: CHLORIDE ION, Helix-turn-helix domain, SODIUM ION
Authors:Walton, W.G, Eakes, T.C, Redinbo, M.R, McLaughlin, K.J.
Deposit date:2022-07-26
Release date:2023-08-02
Last modified:2023-12-06
Method:X-RAY DIFFRACTION (1.45 Å)
Cite:pSK41/pGO1-family conjugative plasmids of Staphylococcus aureus encode a cryptic repressor of replication.
Plasmid, 128, 2023
8DWR
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BU of 8dwr by Molmil
Crystal structure of the L333V variant of catalase-peroxidase from Mycobacterium tuberculosis
Descriptor: 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, Catalase-peroxidase, PROTOPORPHYRIN IX CONTAINING FE, ...
Authors:Diaz-Vilchis, A, Uribe-Vazquez, B, Avila-Linares, A, Rudino-Pinera, E, Soberon, X.
Deposit date:2022-08-01
Release date:2023-08-02
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Characterization of a catalase-peroxidase variant (L333V-KatG) identified in an INH-resistant Mycobacterium tuberculosis clinical isolate.
Biochem Biophys Rep, 37, 2024
6OFD
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BU of 6ofd by Molmil
The crystal structure of octadecyloxy(naphthalen-1-yl)methylphosphonic acid in complex with red kidney bean purple acid phosphatase
Descriptor: 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, CHLORIDE ION, ...
Authors:Feder, D, Schenk, G, Guddat, L.W, Hussein, W.M, McGeary, R.P, Kan, M.W.
Deposit date:2019-03-29
Release date:2019-09-04
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Synthesis, evaluation and structural investigations of potent purple acid phosphatase inhibitors as drug leads for osteoporosis.
Eur.J.Med.Chem., 182, 2019
8DR9
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BU of 8dr9 by Molmil
Crystal structure of human ALDH2 in complex with NAD+ and PEG MME 550
Descriptor: Aldehyde dehydrogenase, mitochondrial, CITRIC ACID, ...
Authors:Xu, S.Y, Weng, J.K.
Deposit date:2022-07-20
Release date:2023-08-30
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Crystal structure of human ALDH2 in complex with NAD+ and PEG MME 550
To be published
8E5I
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BU of 8e5i by Molmil
Old Yellow Enzyme 1 (NpOYE1) from Neptuniibacter sp.
Descriptor: 1,2-ETHANEDIOL, Alkene reductase, DI(HYDROXYETHYL)ETHER, ...
Authors:Frkic, R.L, Jackson, C.J.
Deposit date:2022-08-22
Release date:2023-08-30
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Old Yellow Enzyme 1 (NpOYE1) from Neptuniibacter sp.
To Be Published
8E7T
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BU of 8e7t by Molmil
Crystal structure of Middle East respiratory syndrome coronavirus (MERS-CoV) 3CL protease inactive mutant C148A
Descriptor: 3C-Like Protease, GLYCEROL, SODIUM ION
Authors:Shaqra, A.M, Zvornicanin, S.N, Schiffer, C.A.
Deposit date:2022-08-24
Release date:2023-08-30
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Crystal structure of Middle East respiratory syndrome coronavirus (MERS-CoV) 3CL protease inactive mutant C148A
To Be Published
3FCT
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BU of 3fct by Molmil
MATURE METAL CHELATASE CATALYTIC ANTIBODY WITH HAPTEN
Descriptor: CADMIUM ION, CALCIUM ION, MAGNESIUM ION, ...
Authors:Romesberg, F.E, Santarsiero, B.D, Barnes, D, Yin, J, Spiller, B, Schultz, P.G, Stevens, R.C.
Deposit date:1999-06-13
Release date:1999-06-23
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Structural and kinetic evidence for strain in biological catalysis.
Biochemistry, 37, 1998
8DYE
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BU of 8dye by Molmil
Crystal structure of human SDHA-SDHAF4 assembly intermediate
Descriptor: 1,2-ETHANEDIOL, FLAVIN-ADENINE DINUCLEOTIDE, GLYCEROL, ...
Authors:Sharma, P, Maklashina, E, Cecchini, G, Iverson, T.M.
Deposit date:2022-08-04
Release date:2024-01-10
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (1.44 Å)
Cite:Disordered-to-ordered transitions in assembly factors allow the complex II catalytic subunit to switch binding partners.
Nat Commun, 15, 2024
6OF5
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BU of 6of5 by Molmil
The crystal structure of dodecyloxy(naphthalen-1-yl)methylphosphonic acid in complex with red kidney bean purple acid phosphatase
Descriptor: 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, FE (III) ION, ...
Authors:Feder, D, Schenk, G, Guddat, L.W, Hussein, W.M, McGeary, R.P.
Deposit date:2019-03-28
Release date:2019-09-04
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Synthesis, evaluation and structural investigations of potent purple acid phosphatase inhibitors as drug leads for osteoporosis.
Eur.J.Med.Chem., 182, 2019
8E5C
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BU of 8e5c by Molmil
Crystal Structure of SARS CoV-2 Mpro mutant L50F with Nirmatrelvir captured in two conformational states
Descriptor: (1R,2S,5S)-N-{(1E,2S)-1-imino-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-6,6-dimethyl-3-[3-methyl-N-(trifluoroacetyl)-L-valyl]-3-azabicyclo[3.1.0]hexane-2-carboxamide, 3C-like proteinase nsp5, CHLORIDE ION, ...
Authors:Shaqra, A.M, Schiffer, C.A.
Deposit date:2022-08-20
Release date:2024-02-07
Last modified:2024-04-24
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Contributions of Hyperactive Mutations in M pro from SARS-CoV-2 to Drug Resistance.
Acs Infect Dis., 10, 2024

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数据于2024-07-10公开中

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