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5XI2
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BU of 5xi2 by Molmil
BRD4 bound with compound Bdi2
分子名称: (3~{R})-4-cyclopropyl-1,3-dimethyl-6-[[(1~{S})-1-(4-methylphenyl)ethyl]amino]-3~{H}-quinoxalin-2-one, Bromodomain-containing protein 4
著者Xiong, B, Cao, D, Li, Y.
登録日2017-04-25
公開日2018-05-02
最終更新日2024-03-27
実験手法X-RAY DIFFRACTION (1.909 Å)
主引用文献BRD4 bound with compound Bdi2
To Be Published
5XJ8
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BU of 5xj8 by Molmil
Crystal structure of PlsY (YgiH), an integral membrane glycerol 3-phosphate acyltransferase - the lysphosphatidic acid form
分子名称: (2R)-2-hydroxy-3-(phosphonooxy)propyl hexadecanoate, Glycerol-3-phosphate acyltransferase, PHOSPHATE ION
著者Li, Z, Tang, Y, Li, D.
登録日2017-04-30
公開日2017-12-06
最終更新日2024-03-27
実験手法X-RAY DIFFRACTION (2.41 Å)
主引用文献Structural insights into the committed step of bacterial phospholipid biosynthesis.
Nat Commun, 8, 2017
5XVU
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BU of 5xvu by Molmil
Crystal structure of the protein kinase CK2 catalytic domain from Plasmodium falciparum bound to ATP
分子名称: 1,2-ETHANEDIOL, ADENOSINE-5'-TRIPHOSPHATE, CHLORIDE ION, ...
著者El Sahili, A, Lescar, J, Ruiz-Carrillo, D, Lin, J.Q.
登録日2017-06-28
公開日2017-07-12
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (3 Å)
主引用文献The protein kinase CK2 catalytic domain from Plasmodium falciparum: crystal structure, tyrosine kinase activity and inhibition.
Sci Rep, 8, 2018
5XR1
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BU of 5xr1 by Molmil
Structure of FLN IG21 domain in complex with C-terminal peptide of beta-2
分子名称: C-terminal peptide of Integrin beta-2,Filamin-A IG21 domain
著者Chatterjee, D, Lu, L.Z, Bhattacharjya, S.
登録日2017-06-07
公開日2018-06-13
最終更新日2024-05-15
実験手法SOLUTION NMR
主引用文献Structure of FLN IG21 domain in complex with C-terminal peptide of beta-2
To Be Published
8P2Z
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BU of 8p2z by Molmil
Structure of human SIT1 bound to L-pipecolate (focussed map / refinement)
分子名称: (2S)-piperidine-2-carboxylic acid, 2-acetamido-2-deoxy-beta-D-glucopyranose, CHLORIDE ION, ...
著者Li, H.Z, Pike, A.C.W, Chi, G, Hansen, J.S, Lee, S.G, Rodstrom, K.E.J, Bushell, S.R, Speedman, D, Evans, A, Wang, D, He, D, Shrestha, L, Nasrallah, C, Chalk, R, Moreira, T, MacLean, E.M, Marsden, B, Bountra, C, Burgess-Brown, N.A, Dafforn, T.R, Carpenter, E.P, Sauer, D.B.
登録日2023-05-16
公開日2024-06-12
最終更新日2024-07-10
実験手法ELECTRON MICROSCOPY (3.5 Å)
主引用文献Structure and function of the SIT1 proline transporter in complex with the COVID-19 receptor ACE2.
Nat Commun, 15, 2024
8P30
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Structure of human SIT1:ACE2 complex (open PD conformation) bound to L-pipecolate
分子名称: (2S)-piperidine-2-carboxylic acid, 2-acetamido-2-deoxy-alpha-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose, ...
著者Li, H.Z, Pike, A.C.W, Chi, G, Hansen, J.S, Lee, S.G, Rodstrom, K.E.J, Bushell, S.R, Speedman, D, Evans, A, Wang, D, He, D, Shrestha, L, Nasrallah, C, Chalk, R, Moreira, T, MacLean, E.M, Marsden, B, Bountra, C, Burgess-Brown, N.A, Dafforn, T.R, Carpenter, E.P, Sauer, D.B.
登録日2023-05-16
公開日2024-06-12
最終更新日2024-07-10
実験手法ELECTRON MICROSCOPY (3.29 Å)
主引用文献Structure and function of the SIT1 proline transporter in complex with the COVID-19 receptor ACE2.
Nat Commun, 15, 2024
8P31
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Structure of human SIT1:ACE2 complex (closed PD conformation) bound to L-pipecolate
分子名称: (2S)-piperidine-2-carboxylic acid, 2-acetamido-2-deoxy-alpha-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose, ...
著者Li, H.Z, Pike, A.C.W, Chi, G, Hansen, J.S, Lee, S.G, Rodstrom, K.E.J, Bushell, S.R, Speedman, D, Evans, A, Wang, D, He, D, Shrestha, L, Nasrallah, C, Chalk, R, Moreira, T, MacLean, E.M, Marsden, B, Bountra, C, Burgess-Brown, N.A, Dafforn, T.R, Carpenter, E.P, Sauer, D.B.
登録日2023-05-16
公開日2024-06-12
最終更新日2024-07-10
実験手法ELECTRON MICROSCOPY (3.24 Å)
主引用文献Structure and function of the SIT1 proline transporter in complex with the COVID-19 receptor ACE2.
Nat Commun, 15, 2024
7TAS
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BU of 7tas by Molmil
SARS-CoV-2 spike in complex with the S2K146 neutralizing antibody Fab fragment (local refinement of the RBD and S2K146)
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, S2K146 Fab heavy chain, S2K146 Fab light chain, ...
著者Park, Y.J, Veesler, D, Seattle Structural Genomics Center for Infectious Disease (SSGCID)
登録日2021-12-21
公開日2022-01-12
最終更新日2022-02-09
実験手法ELECTRON MICROSCOPY (3.2 Å)
主引用文献Antibody-mediated broad sarbecovirus neutralization through ACE2 molecular mimicry.
Science, 375, 2022
7TAT
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BU of 7tat by Molmil
SARS-CoV-2 spike in complex with the S2K146 neutralizing antibody Fab fragment (two receptor-binding domains open)
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, S2K146 Fab heavy chain, ...
著者Park, Y.J, Seattle Structural Genomics Center for Infectious Disease (SSGCID), Veesler, D.
登録日2021-12-21
公開日2022-01-12
最終更新日2022-02-09
実験手法ELECTRON MICROSCOPY (3.2 Å)
主引用文献Antibody-mediated broad sarbecovirus neutralization through ACE2 molecular mimicry.
Science, 375, 2022
1ZUR
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BU of 1zur by Molmil
Crystal structure of spin labeled T4 Lysozyme (V131R1F)
分子名称: CHLORIDE ION, Lysozyme, S-[(1-oxyl-2,2,5,5-tetramethyl-4-phenyl-2,5-dihydro-1H-pyrrol-3-yl)methyl] methanesulfonothioate
著者Fleissner, M.R, Cascio, D, Sawaya, M.R, Hideg, K, Hubbell, W.L.
登録日2005-05-31
公開日2006-10-17
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Crystal structure of spin labeled T4 Lysozyme (V131R1F)
To be Published
1ZS2
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BU of 1zs2 by Molmil
Amylosucrase Mutant E328Q in a ternary complex with sucrose and maltoheptaose
分子名称: alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose, alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose, amylosucrase, ...
著者Skov, L.K, Mirza, O, Sprogoe, D, van der Veen, B.A, Remaud-Simeon, M, Albenne, C, Monsan, P, Gajhede, M.
登録日2005-05-23
公開日2006-05-02
最終更新日2023-08-23
実験手法X-RAY DIFFRACTION (2.16 Å)
主引用文献Crystal structure of the Glu328Gln mutant of Neisseria polysaccharea amylosucrase in complex with sucrose and maltoheptaose
BIOCATAL.BIOTRANSFOR., 24, 2006
2ACU
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BU of 2acu by Molmil
TYROSINE-48 IS THE PROTON DONOR AND HISTIDINE-110 DIRECTS SUBSTRATE STEREOCHEMICAL SELECTIVITY IN THE REDUCTION REACTION OF HUMAN ALDOSE REDUCTASE: ENZYME KINETICS AND THE CRYSTAL STRUCTURE OF THE Y48H MUTANT ENZYME
分子名称: ALDOSE REDUCTASE, CITRIC ACID, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE
著者Bohren, K.M, Grimshaw, C.E, Lai, C.-J, Gabbay, K.H, Petsko, G.A, Harrison, D.H, Ringe, D.
登録日1994-04-15
公開日1994-07-31
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (1.76 Å)
主引用文献Tyrosine-48 is the proton donor and histidine-110 directs substrate stereochemical selectivity in the reduction reaction of human aldose reductase: enzyme kinetics and crystal structure of the Y48H mutant enzyme.
Biochemistry, 33, 1994
5AN7
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BU of 5an7 by Molmil
Structure of the engineered retro-aldolase RA95.5-8F with a bound 1,3-diketone inhibitor
分子名称: (2E)-1-(6-methoxynaphthalen-2-yl)but-2-en-1-one, PHOSPHATE ION, RA95.5-8F
著者Obexer, R, Mittl, P.R.E, Hilvert, D.
登録日2015-09-04
公開日2016-08-17
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.1 Å)
主引用文献Emergence of a catalytic tetrad during evolution of a highly active artificial aldolase.
Nat Chem, 9, 2017
2A86
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BU of 2a86 by Molmil
Crystal structure of A Pantothenate synthetase complexed with AMP and beta-alanine
分子名称: ADENOSINE MONOPHOSPHATE, BETA-ALANINE, ETHANOL, ...
著者Wang, S, Eisenberg, D, TB Structural Genomics Consortium (TBSGC)
登録日2005-07-07
公開日2006-02-21
最終更新日2023-08-23
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献Crystal Structure of the Pantothenate Synthetase from Mycobacterium tuberculosis, Snapshots of the Enzyme in Action.
Biochemistry, 45, 2006
208D
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BU of 208d by Molmil
HIGH-RESOLUTION STRUCTURE OF A DNA HELIX FORMING (C.G)*G BASE TRIPLETS
分子名称: DNA (5'-D(*GP*CP*GP*AP*AP*TP*TP*CP*G)-3'), MAGNESIUM ION
著者Van Meervelt, L, Vlieghe, D, Dautant, A, Gallois, B, Precigoux, G, Kennard, O.
登録日1995-04-26
公開日1995-09-15
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (2.05 Å)
主引用文献High-resolution structure of a DNA helix forming (C.G)*G base triplets.
Nature, 374, 1995
5J6Q
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BU of 5j6q by Molmil
Cwp8 from Clostridium difficile
分子名称: CHLORIDE ION, Cell wall binding protein cwp8, SULFATE ION
著者Renko, M, Usenik, A, Turk, D.
登録日2016-04-05
公開日2017-02-08
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献The CWB2 Cell Wall-Anchoring Module Is Revealed by the Crystal Structures of the Clostridium difficile Cell Wall Proteins Cwp8 and Cwp6.
Structure, 25, 2017
2A84
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BU of 2a84 by Molmil
Crystal structure of A Pantothenate synthetase complexed with ATP
分子名称: ADENOSINE-5'-TRIPHOSPHATE, GLYCEROL, MAGNESIUM ION, ...
著者Wang, S, Eisenberg, D, TB Structural Genomics Consortium (TBSGC)
登録日2005-07-07
公開日2006-02-21
最終更新日2023-08-23
実験手法X-RAY DIFFRACTION (1.55 Å)
主引用文献Crystal Structure of the Pantothenate Synthetase from Mycobacterium tuberculosis, Snapshots of the Enzyme in Action.
Biochemistry, 45, 2006
2A88
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Crystal structure of A Pantothenate synthetase, apo enzyme in C2 space group
分子名称: GLYCEROL, Pantoate--beta-alanine ligase, SULFATE ION
著者Wang, S, Eisenberg, D, TB Structural Genomics Consortium (TBSGC)
登録日2005-07-07
公開日2006-02-21
最終更新日2023-08-23
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Crystal Structure of the Pantothenate Synthetase from Mycobacterium tuberculosis, Snapshots of the Enzyme in Action.
Biochemistry, 45, 2006
5AOU
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BU of 5aou by Molmil
Structure of the engineered retro-aldolase RA95.5-8F apo
分子名称: 1,2-ETHANEDIOL, INDOLE-3-GLYCEROL PHOSPHATE SYNTHASE, PHOSPHATE ION
著者Obexer, R, Mittl, P, Hilvert, D.
登録日2015-09-11
公開日2016-08-17
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.1 Å)
主引用文献Emergence of a catalytic tetrad during evolution of a highly active artificial aldolase.
Nat Chem, 9, 2017
2A7X
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BU of 2a7x by Molmil
Crystal Structure of A Pantothenate synthetase complexed with AMP
分子名称: ADENOSINE MONOPHOSPHATE, GLYCEROL, Pantoate-beta-alanine ligase, ...
著者Wang, S, Eisenberg, D, TB Structural Genomics Consortium (TBSGC)
登録日2005-07-06
公開日2006-02-21
最終更新日2023-08-23
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Crystal Structure of the Pantothenate Synthetase from Mycobacterium tuberculosis, Snapshots of the Enzyme in Action.
Biochemistry, 45, 2006
1ZWN
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BU of 1zwn by Molmil
Crystal structure of spin labeled T4 Lysozyme (V131R1B)
分子名称: 2-HYDROXYETHYL DISULFIDE, AZIDE ION, CHLORIDE ION, ...
著者Fleissner, M.R, Cascio, D, Sawaya, M.R, Hideg, K, Hubbell, W.L.
登録日2005-06-03
公開日2006-10-17
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Crystal structure of spin labeled T4 Lysozyme (V131R1B)
To be Published
2A8H
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BU of 2a8h by Molmil
Crystal structure of catalytic domain of TACE with Thiomorpholine Sulfonamide Hydroxamate inhibitor
分子名称: 4-({4-[(4-AMINOBUT-2-YNYL)OXY]PHENYL}SULFONYL)-N-HYDROXY-2,2-DIMETHYLTHIOMORPHOLINE-3-CARBOXAMIDE, ADAM 17, ZINC ION
著者Levin, J.I, Chen, J.M, Laakso, L.M, Du, M, Schmid, J, Xu, W, Cummons, T, Xu, J, Jin, G, Barone, D, Skotnicki, J.S.
登録日2005-07-08
公開日2006-02-07
最終更新日2023-08-23
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Acetylenic TACE inhibitors. Part 3: Thiomorpholine sulfonamide hydroxamates.
Bioorg.Med.Chem.Lett., 16, 2006
2A4T
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BU of 2a4t by Molmil
Crystal structure of spin labeled T4 Lysozyme (V131R7)
分子名称: 2-HYDROXYETHYL DISULFIDE, AZIDE ION, CHLORIDE ION, ...
著者Fleissner, M.R, Cascio, D, Sawaya, M.R, Hideg, K, Hubbell, W.L.
登録日2005-06-29
公開日2006-06-13
最終更新日2023-08-23
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Crystal structure of spin labeled T4 Lysozyme (V131R7
To be Published
5AP8
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Structure of the SAM-dependent rRNA:acp-transferase Tsr3 from S. solfataricus
分子名称: TSR3
著者Wurm, J.P, Immer, C, Pogoryelov, D, Meyer, B, Koetter, P, Entian, K.-D, Woehnert, J.
登録日2015-09-14
公開日2016-04-27
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (2.246 Å)
主引用文献Ribosome Biogenesis Factor Tsr3 is the Aminocarboxypropyl Transferase Responsible for 18S Rrna Hypermodification in Yeast and Humans
Nucleic Acids Res., 44, 2016
2K9A
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The Solution Structure of the Arl2 Effector, BART
分子名称: ADP-ribosylation factor-like protein 2-binding protein
著者Bailey, L.K, Campbell, L.J, Evetts, K.A, Littlefield, K, Rajendra, E, Nietlispach, D, Owen, D, Mott, H.R.
登録日2008-10-06
公開日2008-11-11
最終更新日2024-05-22
実験手法SOLUTION NMR
主引用文献The Structure of Binder of Arl2 (BART) Reveals a Novel G Protein Binding Domain: IMPLICATIONS FOR FUNCTION.
J.Biol.Chem., 284, 2009

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