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4GD8
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SHV-1 beta-lactamase in complex with penam sulfone SA3-53
分子名称: (2S,3R)-4-(2-aminoethylcarbamoyloxy)-2-[(2-methanoylindolizin-3-yl)amino]-3-methyl-3-sulfino-butanoic acid, Beta-lactamase SHV-1, CYCLOHEXYL-HEXYL-BETA-D-MALTOSIDE
著者Pattanaik, P, van den Akker, F.
登録日2012-07-31
公開日2013-07-31
最終更新日2013-08-07
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Structures of SHV-1 beta-lactamase with penem and penam sulfone inhibitors that form cyclic intermediates stabilized by carbonyl conjugation
Plos One, 7, 2012
5A29
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BU of 5a29 by Molmil
Family 2 Pectate Lyase from Vibrio vulnificus
分子名称: 1,2-ETHANEDIOL, EXOPOLYGALACTURONATE LYASE, MANGANESE (II) ION, ...
著者McLean, R, Hobbs, J.K, Suits, M.D, Tuomivaara, S, Jones, D, Boraston, A.B, Abbott, D.W.
登録日2015-05-15
公開日2015-07-01
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Functional Analyses of Resurrected and Contemporary Enzymes Illuminate an Evolutionary Path for the Emergence of Exolysis in Polysaccharide Lyase Family 2.
J.Biol.Chem., 290, 2015
5OK0
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BU of 5ok0 by Molmil
Structure of the D10N mutant of beta-phosphoglucomutase from Lactococcus lactis trapped with native reaction intermediate beta-glucose 1,6-bisphosphate to 2.2A resolution.
分子名称: 1,3-PROPANDIOL, 1,6-di-O-phosphono-beta-D-glucopyranose, Beta-phosphoglucomutase, ...
著者Robertson, A.J, Bisson, C.
登録日2017-07-25
公開日2018-08-29
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (2.15 Å)
主引用文献van der Waals Contact between Nucleophile and Transferring Phosphorus Is Insufficient To Achieve Enzyme Transition-State Architecture
Acs Catalysis, 2018
5AE3
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BU of 5ae3 by Molmil
Ether Lipid-Generating Enzyme AGPS in complex with antimycin A
分子名称: ALKYLDIHYDROXYACETONEPHOSPHATE SYNTHASE, PEROXISOMAL, FLAVIN-ADENINE DINUCLEOTIDE, ...
著者Piano, V, Benjamin, D.I, Valente, S, Nenci, S, Marrocco, B, Mai, A, Aliverti, A, Nomura, D.K, Mattevi, A.
登録日2015-08-25
公開日2015-09-09
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (2.18 Å)
主引用文献Discovery of Inhibitors for the Ether Lipid-Generating Enzyme Agps as Anti-Cancer Agents.
Acs Chem.Biol., 10, 2015
5IFD
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BU of 5ifd by Molmil
Crystal structure of polymerase acid protein (PA) from Influenza A virus, WILSON-SMITH/1933 (H1N1) bound to follow on fragment EBSI-4721 1-(4-fluorophenyl)-1H-imidazole
分子名称: 1-(4-fluorophenyl)-1H-imidazole, DIMETHYL SULFOXIDE, Polymerase acidic protein
著者Seattle Structural Genomics Center for Infectious Disease (SSGCID)
登録日2016-02-25
公開日2017-02-22
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (2.65 Å)
主引用文献Fragment screening by STD NMR identifies novel site binders against influenza A virus polymerase PA
To Be Published
3VN9
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BU of 3vn9 by Molmil
Rifined Crystal structure of non-phosphorylated MAP2K6 in a putative auto-inhibition state
分子名称: 9-{5-O-[(R)-hydroxy{[(S)-hydroxy(phosphonoamino)phosphoryl]oxy}phosphoryl]-beta-L-ribofuranosyl}-9H-purin-6-amine, Dual specificity mitogen-activated protein kinase kinase 6, MAGNESIUM ION
著者Kinoshita, T, Matsuzaka, H, Nakai, R, Kirii, Y, Yokota, K, Tada, T, Matsumoto, T.
登録日2012-01-05
公開日2012-02-29
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Crystal structure of non-phosphorylated MAP2K6 in a putative auto-inhibition state
J.Biochem., 151, 2012
4GC6
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BU of 4gc6 by Molmil
Crystal structure of Dpo4 in complex with N-MC-dAMP opposite dT
分子名称: CALCIUM ION, DNA (5'-D(*GP*GP*GP*GP*GP*AP*AP*GP*GP*AP*TP*TP*CP*C)-3'), DNA (5'-D(*TP*CP*AP*TP*GP*GP*AP*AP*TP*CP*CP*TP*TP*CP*CP*CP*CP*C)-3'), ...
著者Eoff, R.L, Ketkar, A, Banerjee, S, Zafar, M.K.
登録日2012-07-29
公開日2012-10-24
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (2.895 Å)
主引用文献Differential furanose selection in the active sites of archaeal DNA polymerases probed by fixed-conformation nucleotide analogues.
Biochemistry, 51, 2012
2UDP
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BU of 2udp by Molmil
UDP-GALACTOSE 4-EPIMERASE COMPLEXED WITH UDP-PHENOL
分子名称: 1,2-ETHANEDIOL, NICOTINAMIDE-ADENINE-DINUCLEOTIDE, PHENYL-URIDINE-5'-DIPHOSPHATE, ...
著者Thoden, J.B, Gulick, A.M, Holden, H.M.
登録日1997-03-08
公開日1998-03-18
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献High-resolution X-ray structure of UDP-galactose 4-epimerase complexed with UDP-phenol.
Protein Sci., 5, 1996
2SEM
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BU of 2sem by Molmil
SEM5 SH3 DOMAIN COMPLEXED WITH PEPTOID INHIBITOR
分子名称: PROTEIN (SEX MUSCLE ABNORMAL PROTEIN 5), PROTEIN (SH3 PEPTOID INHIBITOR)
著者Nguyen, J.T, Turck, C.W, Cohen, F.E, Zuckermann, R.N, Lim, W.A.
登録日1998-11-02
公開日1999-01-06
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Exploiting the basis of proline recognition by SH3 and WW domains: design of N-substituted inhibitors.
Science, 282, 1998
5A65
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BU of 5a65 by Molmil
Crystal structure of mouse thiamine triphosphatase in complex with thiamine diphosphate, orthophosphate and magnesium ions.
分子名称: 1,2-ETHANEDIOL, MAGNESIUM ION, PHOSPHATE ION, ...
著者Martinez, J, Truffault, V, Hothorn, M.
登録日2015-06-24
公開日2015-08-05
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.98 Å)
主引用文献Structural Determinants for Substrate Binding and Catalysis in Triphosphate Tunnel Metalloenzymes.
J.Biol.Chem., 290, 2015
5IFL
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BU of 5ifl by Molmil
Crystal structure of B. pseudomallei FabI in complex with NAD and triclosan
分子名称: Enoyl-[acyl-carrier-protein] reductase [NADH], NICOTINAMIDE-ADENINE-DINUCLEOTIDE, TRICLOSAN
著者Hirschbeck, M.W, Eltschkner, S, Tonge, P.J, Kisker, C.
登録日2016-02-26
公開日2017-03-01
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Rationalizing the Binding Kinetics for the Inhibition of the Burkholderia pseudomallei FabI1 Enoyl-ACP Reductase.
Biochemistry, 56, 2017
5OK7
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BU of 5ok7 by Molmil
Conservatively refined structure of Gan1D-E170Q, a catalytic mutant of a putative 6-phospho-beta-galactosidase from Geobacillus stearothermophilus
分子名称: GLYCEROL, IMIDAZOLE, Putative 6-phospho-beta-galactobiosidase
著者Lansky, S, Zehavi, A, Shoham, Y, Shoham, G.
登録日2017-07-25
公開日2017-10-18
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.34 Å)
主引用文献Structural basis for enzyme bifunctionality - the case of Gan1D from Geobacillus stearothermophilus.
FEBS J., 284, 2017
3VNQ
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BU of 3vnq by Molmil
Co-crystal structure of NRPS adenylation protein CytC1 with ATP from streptomyces
分子名称: ADENOSINE-5'-TRIPHOSPHATE, NRPS adenylation protein CytC1
著者Okumura, H, Ueki, M, Shiro, Y, Osada, H.
登録日2012-01-17
公開日2013-01-23
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Substrate recognition mechanism of NRPS adenylation protein from Streptomyces
To be Published
2RTA
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BU of 2rta by Molmil
APOSTREPTAVIDIN, PH 2.97, SPACE GROUP I4122
分子名称: STREPTAVIDIN, SULFATE ION
著者Katz, B.A.
登録日1997-09-11
公開日1998-10-14
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (1.39 Å)
主引用文献Binding of biotin to streptavidin stabilizes intersubunit salt bridges between Asp61 and His87 at low pH.
J.Mol.Biol., 274, 1997
5O7B
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BU of 5o7b by Molmil
CRYSTAL STRUCTURE OF THE SLR0328 TYROSINE PHOSPHATASE WZB FROM SYNECHOCYSTIS SP. PCC 6803
分子名称: Putative low molecular weight protein-tyrosine-phosphatase slr0328
著者Leite, J.P, Gales, L.
登録日2017-06-08
公開日2018-06-20
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (2.281 Å)
主引用文献The role of the tyrosine kinase Wzc (Sll0923) and the phosphatase Wzb (Slr0328) in the production of extracellular polymeric substances (EPS) by Synechocystis PCC 6803.
Microbiologyopen, 2019
5I9H
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BU of 5i9h by Molmil
Crystal structure of designed pentatricopeptide repeat protein dPPR-U8G2 in complex with its target RNA U8G2
分子名称: RNA (5'-R(*GP*GP*GP*GP*UP*UP*UP*UP*GP*GP*UP*UP*UP*UP*CP*CP*CP*C)-3'), pentatricopeptide repeat protein dPPR-U8G2
著者Shen, C, Zhang, D, Guan, Z, Zou, T, Yin, P.
登録日2016-02-20
公開日2016-04-27
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (2.504 Å)
主引用文献Structural basis for specific single-stranded RNA recognition by designer pentatricopeptide repeat proteins.
Nat Commun, 7, 2016
5AIL
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BU of 5ail by Molmil
Human PARP9 2nd macrodomain
分子名称: 1,2-ETHANEDIOL, PHOSPHATE ION, POLY [ADP-RIBOSE] POLYMERASE 9, ...
著者Sieg, C, Shrestha, L, Talon, R, Sorrell, F, Williams, E, von Delft, F, Bountra, C, Arrowsmith, C, Edwards, A.M, Knapp, S, Elkins, J.M.
登録日2015-02-15
公開日2015-02-25
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.55 Å)
主引用文献Structure of Parp9 2Nd Macrodomain
To be Published
3VNZ
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BU of 3vnz by Molmil
Crystal structure of beta-glucuronidase from Acidobacterium capsulatum in complex with D-glucuronic acid
分子名称: GLYCEROL, PHOSPHATE ION, beta-D-glucopyranuronic acid, ...
著者Momma, M, Fujimoto, Z, Michikawa, M, Ichinose, H, Yoshida, M, Kotake, Y, Biely, P, Tsumuraya, Y, Kaneko, S.
登録日2012-01-18
公開日2012-02-22
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Structural and biochemical characterization of glycoside hydrolase family 79 beta-glucuronidase from Acidobacterium capsulatum
J.Biol.Chem., 287, 2012
5IH5
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BU of 5ih5 by Molmil
Human Casein Kinase 1 isoform delta (kinase domain) in complex with Epiblastin A
分子名称: 6-(3-chlorophenyl)pteridine-2,4,7-triamine, Casein kinase I isoform delta, S,R MESO-TARTARIC ACID, ...
著者Ursu, A, Illich, D.J, Takemoto, Y, Porfetye, A.T, Zhang, M, Brockmeyer, A, Janning, P, Watanabe, N, Osada, H, Vetter, I.R, Ziegler, S, Schoeler, H.R, Waldmann, H.
登録日2016-02-29
公開日2016-04-13
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (2.25 Å)
主引用文献Epiblastin A Induces Reprogramming of Epiblast Stem Cells Into Embryonic Stem Cells by Inhibition of Casein Kinase 1.
Cell Chem Biol, 23, 2016
5A6T
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BU of 5a6t by Molmil
1.65 A resolution Sulphite inhibited Sporosarcina pasteurii urease
分子名称: 1,2-ETHANEDIOL, NICKEL (II) ION, SULFATE ION, ...
著者Mazzei, L, Cianci, M, Benini, S, Bertini, L, Musiani, F, Ciurli, S.
登録日2015-07-01
公開日2015-12-02
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.65 Å)
主引用文献Kinetic and Structural Studies Reveal a Unique Binding Mode of Sulfite to the Nickel Center in Urease.
J.Inorg.Biochem., 154, 2015
2SGF
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BU of 2sgf by Molmil
PHE 18 VARIANT OF TURKEY OVOMUCOID INHIBITOR THIRD DOMAIN COMPLEXED WITH STREPTOMYCES GRISEUS PROTEINASE B
分子名称: Ovomucoid, PHOSPHATE ION, Streptogrisin B
著者Huang, K, Lu, W, Anderson, S, Laskowski Jr, M, James, M.N.G.
登録日1999-03-25
公開日2003-08-26
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (1.75 Å)
主引用文献Recruitment of a Buried K+ Ion to Stabilize the Negative Charge of Ionized P1 in the Hydrophobic Pocket: Crystal Structures of Glu18, Gln18, Asp18 and Asn18 Variants of Turkey Ovomucoid Inhibitor Third Domain Complexed with Streptomyces griseus Protease B at Various pHs
To be Published
5OKS
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BU of 5oks by Molmil
Non-conservatively refined structure of Gan1D, a 6-phospho-beta-galactosidase from Geobacillus stearothermophilus, in complex with 6-phospho-beta-glucose
分子名称: 6-O-phosphono-beta-D-glucopyranose, GLYCEROL, IMIDAZOLE, ...
著者Lansky, S, Zehavi, A, Shoham, Y, Shoham, G.
登録日2017-07-25
公開日2017-10-18
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.96 Å)
主引用文献Structural basis for enzyme bifunctionality - the case of Gan1D from Geobacillus stearothermophilus.
FEBS J., 284, 2017
3VOF
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BU of 3vof by Molmil
Cellobiohydrolase mutant, CcCel6C D102A, in the closed form
分子名称: Cellobiohydrolase, beta-D-glucopyranose
著者Tamura, M, Miyazaki, T, Tanaka, Y, Yoshida, M, Nishikawa, A, Tonozuka, T.
登録日2012-01-23
公開日2012-03-21
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Comparison of the structural changes in two cellobiohydrolases, CcCel6A and CcCel6C, from Coprinopsis cinerea - a tweezer-like motion in the structure of CcCel6C
Febs J., 279, 2012
5I9P
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BU of 5i9p by Molmil
Crystal structure of Staphylococcal nuclease variant Delta+PHS T62H at cryogenic temperature
分子名称: CALCIUM ION, THYMIDINE-3',5'-DIPHOSPHATE, Thermonuclease
著者Robinson, A.C, Schlessman, J.L, Garcia-Moreno E, B.
登録日2016-02-20
公開日2016-03-09
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献Crystal structure of Staphylococcal nuclease variant Delta+PHS T62H at cryogenic temperature
To Be Published
5AL1
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BU of 5al1 by Molmil
Crystal structure of TNKS2 in complex with 2-(4-tert-butylphenyl)-1H, 2H,3H,4H-pyrido(2,3-d)pyrimidin-4-one
分子名称: 2-(4-TERT-BUTYLPHENYL)-1H,2H,3H,4H-PYRIDO(2,3-D)PYRIMIDIN-4-ONE, GLYCEROL, SULFATE ION, ...
著者Nkizinkiko, Y, Lehtio, L.
登録日2015-03-06
公開日2015-07-29
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.75 Å)
主引用文献Discovery of Potent and Selective Nonplanar Tankyrase Inhibiting Nicotinamide Mimics.
Bioorg.Med.Chem., 23, 2015

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