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6HTE
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BU of 6hte by Molmil
Sulfolobus solfataricus Tryptophan Synthase B2a
Descriptor: DI(HYDROXYETHYL)ETHER, PYRIDOXAL-5'-PHOSPHATE, Tryptophan synthase beta chain 2
Authors:Fleming, J, Mayans, O, Bucher, R.
Deposit date:2018-10-04
Release date:2018-11-21
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.961 Å)
Cite:Evolutionary Morphing of Tryptophan Synthase: Functional Mechanisms for the Enzymatic Channeling of Indole.
J.Mol.Biol., 430, 2018
6MTF
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BU of 6mtf by Molmil
D7 protein from Phlebotomus duboscqi, native
Descriptor: 26.7 kDa salivary protein, FRAGMENT OF TRITON X-100
Authors:Andersen, J.F, Jablonka, W.
Deposit date:2018-10-19
Release date:2019-04-10
Method:X-RAY DIFFRACTION (1.92 Å)
Cite:Functional and structural similarities of D7 proteins in the independently-evolved salivary secretions of sand flies and mosquitoes.
Sci Rep, 9, 2019
1BBB
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BU of 1bbb by Molmil
A THIRD QUATERNARY STRUCTURE OF HUMAN HEMOGLOBIN A AT 1.7-ANGSTROMS RESOLUTION
Descriptor: CARBON MONOXIDE, HEMOGLOBIN A (CARBONMONOXY) (ALPHA CHAIN), HEMOGLOBIN A (CARBONMONOXY) (BETA CHAIN), ...
Authors:Arnone, A, Silva, M.M.
Deposit date:1992-04-29
Release date:1993-10-31
Last modified:2024-05-22
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:A third quaternary structure of human hemoglobin A at 1.7-A resolution.
J.Biol.Chem., 267, 1992
6Q5F
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BU of 6q5f by Molmil
OXA-48_P68A-CAZ. Evolutionary trade-offs of OXA-48 mediated ceftazidime-avibactam resistance
Descriptor: 1-({(2R)-2-[(1R)-1-{[(2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-{[(2-carboxypropan-2-yl)oxy]imino}acetyl]amino}-2-oxoethyl]-4-carboxy-3,6-dihydro-2H-1,3-thiazin-5-yl}methyl)pyridinium, Beta-lactamase, CHLORIDE ION, ...
Authors:Frohlich, C, Sorum, V, Thomassen, A.M, Johnsen, P.J, Leiros, H.-K.S, Samuelsen, O.
Deposit date:2018-12-08
Release date:2019-03-20
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:OXA-48-Mediated Ceftazidime-Avibactam Resistance Is Associated with Evolutionary Trade-Offs.
Msphere, 4, 2019
6Q5B
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BU of 6q5b by Molmil
OXA-48_P68A-AVI. Evolutionary trade-offs of OXA-48 mediated ceftazidime-avibactam resistance
Descriptor: (2S,5R)-1-formyl-5-[(sulfooxy)amino]piperidine-2-carboxamide, Beta-lactamase, CARBON DIOXIDE, ...
Authors:Frohlich, C, Sorum, V, Thomassen, A.M, Johnsen, P.J, Leiros, H.K.S, Samuelsen, O.
Deposit date:2018-12-07
Release date:2019-03-20
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2.22 Å)
Cite:OXA-48-Mediated Ceftazidime-Avibactam Resistance Is Associated with Evolutionary Trade-Offs.
Msphere, 4, 2019
6WKS
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BU of 6wks by Molmil
Structure of SARS-CoV-2 nsp16/nsp10 in complex with RNA cap analogue (m7GpppA) and S-adenosylmethionine
Descriptor: 1,2-ETHANEDIOL, 2'-O-methyltransferase, ADENOSINE, ...
Authors:Gupta, Y.K, Viswanathan, T, Arya, S, Qi, S, Misra, A, Chan, S.-H.
Deposit date:2020-04-16
Release date:2020-05-06
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Structural basis of RNA cap modification by SARS-CoV-2.
Nat Commun, 11, 2020
6C62
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BU of 6c62 by Molmil
An unexpected vestigial protein complex reveals the evolutionary origins of an s-triazine catabolic enzyme.
Descriptor: AtzG, Biuret hydrolase, MAGNESIUM ION
Authors:Peat, T.S, Esquirol, L, Wilding, M, Liu, J.W, French, N.G, Hartley, C.J, Hideki, O, Easton, C.J, Newman, J, Scott, C.
Deposit date:2018-01-17
Release date:2018-03-21
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:An unexpected vestigial protein complex reveals the evolutionary origins of ans-triazine catabolic enzyme.
J. Biol. Chem., 293, 2018
6C6G
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BU of 6c6g by Molmil
An unexpected vestigial protein complex reveals the evolutionary origins of an s-triazine catabolic enzyme. Inhibitor bound complex.
Descriptor: AtzG, Biuret hydrolase, CALCIUM ION
Authors:Peat, T.S, Esquirol, L, Wilding, M, Liu, J.W, French, N.G, Hartley, C.J, Hideki, O, Easton, C.J, Newman, J, Scott, C.
Deposit date:2018-01-18
Release date:2018-03-21
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:An unexpected vestigial protein complex reveals the evolutionary origins of ans-triazine catabolic enzyme.
J. Biol. Chem., 293, 2018
6NEM
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BU of 6nem by Molmil
3-hydroxy-5-[(naphthalen-1-yl)methyl]-6-[4-(1H-tetrazol-5-yl)phenyl]pyridin-2(1H)-one bound to influenza 2009 pH1N1 endonuclease
Descriptor: 3-hydroxy-5-[(naphthalen-1-yl)methyl]-6-[4-(1H-tetrazol-5-yl)phenyl]pyridin-2(1H)-one, MANGANESE (II) ION, Polymerase acidic protein, ...
Authors:Bauman, J.D, Arnold, E.
Deposit date:2018-12-17
Release date:2019-05-01
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Aryl and Arylalkyl Substituted 3-Hydroxypyridin-2(1H)-ones: Synthesis and Evaluation as Inhibitors of Influenza A Endonuclease.
Chemmedchem, 14, 2019
8XAK
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BU of 8xak by Molmil
Structure of Pif1-G4 complex
Descriptor: ADENOSINE-5'-DIPHOSPHATE, ATP-dependent DNA helicase PIF1, DNA (34-MER), ...
Authors:Hong, Z, Song, H.
Deposit date:2023-12-04
Release date:2024-07-31
Method:X-RAY DIFFRACTION (3.5 Å)
Cite:Eukaryotic Pif1 helicase unwinds G-quadruplex and dsDNA using a conserved wedge.
Nat Commun, 15, 2024
5CTS
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BU of 5cts by Molmil
PROPOSED MECHANISM FOR THE CONDENSATION REACTION OF CITRATE SYNTHASE. 1.9-ANGSTROMS STRUCTURE OF THE TERNARY COMPLEX WITH OXALOACETATE AND CARBOXYMETHYL COENZYME A
Descriptor: CARBOXYMETHYL COENZYME *A, CITRATE SYNTHASE, OXALOACETATE ION
Authors:Karpusas, M, Branchaud, B, Remington, S.J.
Deposit date:1989-11-16
Release date:1990-10-15
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Proposed mechanism for the condensation reaction of citrate synthase: 1.9-A structure of the ternary complex with oxaloacetate and carboxymethyl coenzyme A.
Biochemistry, 29, 1990
6NEL
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BU of 6nel by Molmil
4-(2-(4-fluorophenyl)-5-hydroxy-6-oxo-1,6-dihydropyridin-3-yl)benzoic acid bound to influenza 2009 pH1N1 endonuclease
Descriptor: 4-[2-(4-fluorophenyl)-5-hydroxy-6-oxo-1,6-dihydropyridin-3-yl]benzoic acid, MAGNESIUM ION, MANGANESE (II) ION, ...
Authors:Bauman, J.D, Arnold, E.
Deposit date:2018-12-17
Release date:2019-05-01
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2 Å)
Cite:Aryl and Arylalkyl Substituted 3-Hydroxypyridin-2(1H)-ones: Synthesis and Evaluation as Inhibitors of Influenza A Endonuclease.
Chemmedchem, 14, 2019
4U2X
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BU of 4u2x by Molmil
Ebola virus VP24 in complex with Karyopherin alpha 5 C-terminus
Descriptor: CHLORIDE ION, Importin subunit alpha-6, Membrane-associated protein VP24
Authors:Xu, W, Leung, D, Borek, D, Amarasinghe, G.
Deposit date:2014-07-18
Release date:2014-08-13
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (3.153 Å)
Cite:Ebola Virus VP24 Targets a Unique NLS Binding Site on Karyopherin Alpha 5 to Selectively Compete with Nuclear Import of Phosphorylated STAT1.
Cell Host Microbe, 16, 2014
6HUL
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BU of 6hul by Molmil
Sulfolobus solfataricus Tryptophan Synthase AB Complex
Descriptor: PHOSPHATE ION, PYRIDOXAL-5'-PHOSPHATE, SERINE, ...
Authors:Fleming, J.R, Mayans, O.
Deposit date:2018-10-08
Release date:2018-11-07
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2.55 Å)
Cite:Evolutionary Morphing of Tryptophan Synthase: Functional Mechanisms for the Enzymatic Channeling of Indole.
J.Mol.Biol., 430, 2018
6O1T
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BU of 6o1t by Molmil
BOVINE SALIVARY PROTEIN FORM 30B WITH OLEIC ACID
Descriptor: CALCIUM ION, OLEIC ACID, Short palate, ...
Authors:Zhang, H, Arcus, V.L.
Deposit date:2019-02-21
Release date:2019-03-13
Last modified:2024-10-09
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:The three dimensional structure of Bovine Salivary Protein 30b (BSP30b) and its interaction with specific rumen bacteria.
Plos One, 14, 2019
6BM9
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BU of 6bm9 by Molmil
Directed evolutionary changes in MBL super family - VIM-2 Round 10
Descriptor: GLYCEROL, Metallo-beta-lactamase, ZINC ION
Authors:Hong, N.-S, Jackson, C.J, Carr, P.D.
Deposit date:2017-11-13
Release date:2018-11-21
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.19 Å)
Cite:Cryptic genetic variation shapes the adaptive evolutionary potential of enzymes.
Elife, 8, 2019
4DT2
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BU of 4dt2 by Molmil
Crystal structure of red kidney bean purple acid phosphatase in complex with Maybridge fragment CC27209
Descriptor: (2,2-dimethyl-2,3-dihydro-1-benzofuran-7-yl)methanol, 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Feder, D, Hussein, W.M, Clayton, D.J, Kan, M, Schenk, G, McGeary, R.P, Guddat, L.W.
Deposit date:2012-02-20
Release date:2012-09-19
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Identification of purple acid phosphatase inhibitors by fragment-based screening: promising new leads for osteoporosis therapeutics.
Chem.Biol.Drug Des., 80, 2012
2JS7
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BU of 2js7 by Molmil
Solution NMR structure of human myeloid differentiation primary response (MyD88). Northeast Structural Genomics target HR2869A
Descriptor: Myeloid differentiation primary response protein MyD88
Authors:Rossi, P, Ramelot, T.A, Tao, X, Ciano, M, Ho, C, Ma, L.-C, Xiao, R, Acton, T.B, Kennedy, M.A, Tong, L, Montelione, G.T, Northeast Structural Genomics Consortium (NESG)
Deposit date:2007-06-29
Release date:2007-10-23
Last modified:2020-02-19
Method:SOLUTION NMR
Cite:Solution NMR Structure of Human Myeloid Differentiation Primary Response (MyD88).
To be Published
4DSY
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BU of 4dsy by Molmil
Crystal structure of red kidney bean purple acid phosphatase in complex with Maybridge fragment CC24201
Descriptor: 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, 5-phenylpyridine-3-carboxylic acid, ...
Authors:Feder, D, Hussein, W.M, Clayton, D.J, Kan, M, Schenk, G, McGeary, R.P, Guddat, L.W.
Deposit date:2012-02-20
Release date:2012-09-19
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Identification of purple acid phosphatase inhibitors by fragment-based screening: promising new leads for osteoporosis therapeutics.
Chem.Biol.Drug Des., 80, 2012
6UQT
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BU of 6uqt by Molmil
Serendipitous Discovery of Aryl Boronic Acids as beta-Lactamase Inhibitors
Descriptor: 2-hydroxyethyl hydrogen (3-methoxyphenyl)boronate, Beta-lactamase, CHLORIDE ION
Authors:Scapin, G.
Deposit date:2019-10-21
Release date:2019-10-30
Last modified:2020-01-15
Method:X-RAY DIFFRACTION (1.25 Å)
Cite:Serendipitous discovery of aryl boronic acids as beta-lactamase inhibitors.
Bioorg.Med.Chem.Lett., 30, 2020
6UQU
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BU of 6uqu by Molmil
Serendipitous Discovery of Aryl Boronic Acids as beta-Lactamase Inhibitors
Descriptor: Beta-lactamase, CHLORIDE ION, PHENYL BORONIC ACID
Authors:Scapin, G.
Deposit date:2019-10-21
Release date:2019-10-30
Last modified:2020-01-15
Method:X-RAY DIFFRACTION (1.0902 Å)
Cite:Serendipitous discovery of aryl boronic acids as beta-lactamase inhibitors.
Bioorg.Med.Chem.Lett., 30, 2020
6UR3
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BU of 6ur3 by Molmil
Serendipitous Discovery of Aryl Boronic Acids as beta-Lactamase Inhibitors
Descriptor: 1,2-ETHANEDIOL, 2-hydroxyethyl hydrogen phenylboronate, Beta-lactamase, ...
Authors:Scapin, G.
Deposit date:2019-10-22
Release date:2019-10-30
Last modified:2020-01-15
Method:X-RAY DIFFRACTION (1.423 Å)
Cite:Serendipitous discovery of aryl boronic acids as beta-lactamase inhibitors.
Bioorg.Med.Chem.Lett., 30, 2020
7U7N
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BU of 7u7n by Molmil
IL-27 quaternary receptor signaling complex
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Interleukin-27 receptor subunit alpha, ...
Authors:Caveney, N.A, Glassman, C.R, Jude, K.M, Tsutsumi, N, Garcia, K.C.
Deposit date:2022-03-07
Release date:2022-05-25
Method:ELECTRON MICROSCOPY (3.47 Å)
Cite:Structure of the IL-27 quaternary receptor signaling complex.
Elife, 11, 2022
6QKC
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BU of 6qkc by Molmil
GluA1/2 In complex with auxiliary subunit gamma-8
Descriptor: (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, 6-nitro-2,3-bis(oxidanylidene)-1,4-dihydrobenzo[f]quinoxaline-7-sulfonamide, Glutamate receptor 1, ...
Authors:Herguedas, B, Garcia-Nafria, J, Greger, I.G.
Deposit date:2019-01-28
Release date:2019-03-27
Last modified:2020-07-29
Method:ELECTRON MICROSCOPY (4.1 Å)
Cite:Architecture of the heteromeric GluA1/2 AMPA receptor in complex with the auxiliary subunit TARP gamma 8.
Science, 364, 2019
5OW3
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BU of 5ow3 by Molmil
Crystal structure of a C-terminally truncated trimeric ectodomain of the Arabidopsis thaliana gamete fusion protein HAP2
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, ACETATE ION, GLYCEROL, ...
Authors:Fedry, J, Legrand, P, Rey, F.A, Krey, T.
Deposit date:2017-08-30
Release date:2018-08-22
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (2.75 Å)
Cite:Evolutionary diversification of the HAP2 membrane insertion motifs to drive gamete fusion across eukaryotes.
PLoS Biol., 16, 2018

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数据于2024-10-09公开中

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