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3FMD
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BU of 3fmd by Molmil
Crystal Structure of Human Haspin with an Isoquinoline ligand
分子名称: 1,2-ETHANEDIOL, N-[2-(4-BROMOCINNAMYLAMINO)ETHYL]-5-ISOQUINOLINE SULFONAMIDE, NICKEL (II) ION, ...
著者Filippakopoulos, P, Eswaran, J, Keates, T, Burgess-Brown, N, Fedorov, O, Pike, A.C.W, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Weigelt, J, Bountra, C, Knapp, S, Structural Genomics Consortium (SGC)
登録日2008-12-21
公開日2008-12-30
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Crystal Structure of Human Haspin with an Isoquinoline ligand
To be Published
3I2E
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BU of 3i2e by Molmil
Crystal structure of human dimethylarginine dymethylaminohydrolase-1 (DDAH-1)
分子名称: N(G),N(G)-dimethylarginine dimethylaminohydrolase 1
著者Monzingo, A.F, Wang, Y, Hu, S, Schaller, T.H, Robertus, J.D, Fast, W.
登録日2009-06-29
公開日2009-08-25
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (2.03 Å)
主引用文献Developing dual and specific inhibitors of dimethylarginine dimethylaminohydrolase-1 and nitric oxide synthase: toward a targeted polypharmacology to control nitric oxide.
Biochemistry, 48, 2009
3I2O
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BU of 3i2o by Molmil
Crystal Structure of AlkB in complex with Fe(II), 2-oxoglutarate and methylated trinucleotide T-meA-T
分子名称: 2-OXOGLUTARIC ACID, Alpha-ketoglutarate-dependent dioxygenase alkB, DNA (5'-D(P*TP*(MA7)P*T)-3'), ...
著者Yu, B, Hunt, J.F.
登録日2009-06-29
公開日2009-08-25
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Enzymological and structural studies of the mechanism of promiscuous substrate recognition by the oxidative DNA repair enzyme AlkB.
Proc.Natl.Acad.Sci.USA, 106, 2009
3I2Y
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BU of 3i2y by Molmil
Proteinase K by Classical hanging drop Method before high X-Ray dose on ID14-2 Beamline at ESRF
分子名称: CALCIUM ION, Proteinase K
著者Pechkova, E, Tripathi, S.K, Ravelli, R, McSweeney, S, Nicolini, C.
登録日2009-06-30
公開日2010-06-09
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (0.995 Å)
主引用文献Atomic structure and radiation resistance of Langmuir-Blodgett protein crystals
To be Published
3HRD
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BU of 3hrd by Molmil
Crystal structure of nicotinate dehydrogenase
分子名称: CALCIUM ION, DIOXOTHIOMOLYBDENUM(VI) ION, FE2/S2 (INORGANIC) CLUSTER, ...
著者Wagener, N, Pierik, A.J, Hille, R, Dobbek, H.
登録日2009-06-09
公開日2009-06-30
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献The Mo-Se active site of nicotinate dehydrogenase
Proc.Natl.Acad.Sci.USA, 106, 2009
3HSS
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BU of 3hss by Molmil
A higher resolution structure of Rv0554 from Mycobacterium tuberculosis complexed with malonic acid
分子名称: 1,2-ETHANEDIOL, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, ACETATE ION, ...
著者Johnston, J.M, Baker, E.N.
登録日2009-06-10
公開日2010-05-26
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Structural and functional analysis of Rv0554 from Mycobacterium tuberculosis: testing a putative role in menaquinone biosynthesis.
Acta Crystallogr.,Sect.D, 66, 2010
3HT0
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BU of 3ht0 by Molmil
Crystal structure of E. coli HPPK(F123A) in complex with MgAMPCPP
分子名称: CHLORIDE ION, DIPHOSPHOMETHYLPHOSPHONIC ACID ADENOSYL ESTER, HPPK, ...
著者Blaszczyk, J, Li, Y, Yan, H, Ji, X.
登録日2009-06-11
公開日2010-06-23
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (1.4 Å)
主引用文献Pterin-binding site mutation Y53A, N55A or F123A and activity of E. coli HPPK
To be Published
3HT7
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2-ethylphenol in complex with T4 lysozyme L99A/M102Q
分子名称: 2-ethylphenol, BETA-MERCAPTOETHANOL, Lysozyme, ...
著者Boyce, S.E, Mobley, D.L, Rocklin, G.J, Graves, A.P, Dill, K.A, Shoichet, B.K.
登録日2009-06-11
公開日2009-11-03
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Predicting ligand binding affinity with alchemical free energy methods in a polar model binding site.
J.Mol.Biol., 394, 2009
3HTF
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BU of 3htf by Molmil
4-chloro-1h-pyrazole in complex with T4 lysozyme L99A/M102Q
分子名称: 4-chloro-1H-pyrazole, BETA-MERCAPTOETHANOL, Lysozyme, ...
著者Boyce, S.E, Mobley, D.L, Rocklin, G.J, Graves, A.P, Dill, K.A, Shoichet, B.K.
登録日2009-06-11
公開日2009-11-03
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献Predicting ligand binding affinity with alchemical free energy methods in a polar model binding site.
J.Mol.Biol., 394, 2009
3HTN
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BU of 3htn by Molmil
Crystal structure of a putative dna binding protein (bt_1116) from bacteroides thetaiotaomicron vpi-5482 at 1.50 A resolution
分子名称: FE (III) ION, NICKEL (II) ION, PENTAETHYLENE GLYCOL, ...
著者Joint Center for Structural Genomics (JCSG)
登録日2009-06-12
公開日2009-06-30
最終更新日2023-02-01
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Crystal structure of Putative DNA binding protein (NP_810029.1) from Bacteroides thetaiotaomicron VPI-5482 at 1.50 A resolution
To be Published
3HWS
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BU of 3hws by Molmil
Crystal structure of nucleotide-bound hexameric ClpX
分子名称: ADENOSINE-5'-DIPHOSPHATE, ATP-dependent Clp protease ATP-binding subunit clpX, MAGNESIUM ION, ...
著者Glynn, S.E, Martin, A, Baker, T.A, Sauer, R.T.
登録日2009-06-18
公開日2009-11-24
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (3.25 Å)
主引用文献Structures of asymmetric ClpX hexamers reveal nucleotide-dependent motions in a AAA+ protein-unfolding machine.
Cell(Cambridge,Mass.), 139, 2009
3I56
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BU of 3i56 by Molmil
Co-crystal structure of Triacetyloleandomcyin Bound to the Large Ribosomal Subunit
分子名称: 23S ribosomal RNA, 50S ribosomal protein L10E, 50S ribosomal protein L10e, ...
著者Gurel, G, Blaha, G, Steitz, T.A, Moore, P.B.
登録日2009-07-03
公開日2010-03-09
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (2.9 Å)
主引用文献Structures of triacetyloleandomycin and mycalamide A bind to the large ribosomal subunit of Haloarcula marismortui.
Antimicrob.Agents Chemother., 53, 2009
3HMW
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BU of 3hmw by Molmil
Crystal structure of ustekinumab FAB
分子名称: CADMIUM ION, USTEKINUMAB FAB HEAVY CHAIN, USTEKINUMAB FAB LIGHT CHAIN
著者Luo, J.
登録日2009-05-29
公開日2010-06-09
最終更新日2015-07-22
実験手法X-RAY DIFFRACTION (3 Å)
主引用文献Structural basis for the dual recognition of IL-12 and IL-23 by ustekinumab.
J.Mol.Biol., 402, 2010
3HYD
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BU of 3hyd by Molmil
LVEALYL peptide derived from human insulin chain B, residues 11-17
分子名称: Insulin
著者Ivanova, M.I, Sawaya, M.R, Eisenberg, D.
登録日2009-06-22
公開日2009-10-06
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (1 Å)
主引用文献Molecular basis for insulin fibril assembly.
Proc.Natl.Acad.Sci.USA, 106, 2009
3HN7
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BU of 3hn7 by Molmil
Crystal structure of a murein peptide ligase mpl (psyc_0032) from psychrobacter arcticus 273-4 at 1.65 A resolution
分子名称: UDP-N-acetylmuramate-L-alanine ligase
著者Joint Center for Structural Genomics (JCSG)
登録日2009-05-29
公開日2009-06-16
最終更新日2023-02-01
実験手法X-RAY DIFFRACTION (1.65 Å)
主引用文献Structure and function of the first full-length murein Peptide ligase (mpl) cell wall recycling protein.
Plos One, 6, 2011
3HNJ
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BU of 3hnj by Molmil
Crystal structure of the Zn-induced tetramer of the engineered cyt cb562 variant RIDC-2
分子名称: PROTOPORPHYRIN IX CONTAINING FE, Soluble cytochrome b562, ZINC ION
著者Salgado, E.N, Lewis, R.A, Brodin, J, Tezcan, F.A.
登録日2009-05-31
公開日2010-02-09
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Metal templated design of protein interfaces.
Proc.Natl.Acad.Sci.USA, 107, 2010
3HZ2
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BU of 3hz2 by Molmil
Crystal structure of a betagamma-crystallin from an Archaea
分子名称: Beta/gama crystallin family protein, CALCIUM ION
著者Aravind, P, Sankaranarayanan, R.
登録日2009-06-23
公開日2009-12-01
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (1.86 Å)
主引用文献The betagamma-crystallin superfamily contains a universal motif for binding calcium
Biochemistry, 48, 2009
3HNY
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BU of 3hny by Molmil
Factor VIII Trp2313-His2315 segment is involved in membrane binding as shown by crystal structure of complex between factor VIII C2 domain and an inhibitor
分子名称: Coagulation factor VIII
著者Liu, Z, Yuan, C.
登録日2009-06-01
公開日2010-01-19
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (1.07 Å)
主引用文献Trp2313-His2315 of factor VIII C2 domain is involved in membrane binding: structure of a complex between the C2 domain and an inhibitor of membrane binding.
J.Biol.Chem., 285, 2010
3HZB
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BU of 3hzb by Molmil
Crystal structure of a betagamma-crystallin domain from Flavobacterium johnsoniae
分子名称: CALCIUM ION, Carbohydrate binding protein
著者Aravind, P, Sankaranarayanan, R.
登録日2009-06-23
公開日2009-12-01
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (1.74 Å)
主引用文献The betagamma-crystallin superfamily contains a universal motif for binding calcium
Biochemistry, 48, 2009
3HZY
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Crystal structure of S73-2 antibody in complex with antigen Kdo(2.4)Kdo(2.4)Kdo
分子名称: 3-deoxy-alpha-D-manno-oct-2-ulopyranosonic acid-(2-4)-3-deoxy-alpha-D-manno-oct-2-ulopyranosonic acid-(2-4)-prop-2-en-1-yl 3-deoxy-alpha-D-manno-oct-2-ulopyranosidonic acid, MAGNESIUM ION, S73-2 Fab (IgG1k) heavy chain, ...
著者Brooks, C.L, Muller-Loennies, S, Borisova, S.N, Brade, L, Kosma, P, Hirama, T, MacKenzie, C.R, Brade, H, Evans, S.V.
登録日2009-06-24
公開日2010-01-12
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Antibodies raised against chlamydial lipopolysaccharide antigens reveal convergence in germline gene usage and differential epitope recognition
Biochemistry, 49, 2010
3HOJ
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BU of 3hoj by Molmil
Crystal Structure of a Novel Engineered Retroaldolase: RA-22
分子名称: RETROALDOLASE-22
著者Stoddard, B.L, Doyle, L.A.
登録日2009-06-02
公開日2009-08-25
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献De Novo Computational Design of Retro-Aldol Enzymes
Science, 319, 2008
3I0E
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Crystal structure of GTB C80S/C196S + H-antigen
分子名称: ABO glycosyltransferase, alpha-L-fucopyranose-(1-2)-hexyl beta-D-galactopyranoside
著者Schuman, B, Persson, M, Landry, R.C, Polakowski, R, Weadge, J.T, Seto, N.O.L, Borisova, S, Palcic, M.M, Evans, S.V.
登録日2009-06-25
公開日2010-08-11
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (1.81 Å)
主引用文献Cysteine-to-serine mutants dramatically reorder the active site of human ABO(H) blood group B glycosyltransferase without affecting activity: structural insights into cooperative substrate binding
J.Mol.Biol., 402, 2010
3I0L
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Crystal structure of GTB C80S/C196S/C209S + DA + UDP-Gal
分子名称: ABO glycosyltransferase, URIDINE-5'-DIPHOSPHATE, alpha-L-fucopyranose-(1-2)-hexyl beta-D-galactopyranoside, ...
著者Schuman, B, Persson, M, Landry, R.C, Polakowski, R, Weadge, J.T, Seto, N.O.L, Borisova, S, Palcic, M.M, Evans, S.V.
登録日2009-06-25
公開日2010-08-11
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Cysteine-to-serine mutants dramatically reorder the active site of human ABO(H) blood group B glycosyltransferase without affecting activity: structural insights into cooperative substrate binding
J.Mol.Biol., 402, 2010
3I0X
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Crystal structure of Clostridium acetobutylicum 8-oxoguanine glycosylase/lyase in complex with dsDNA containing adenine opposite to 8-oxoG
分子名称: 5'-D(*AP*TP*CP*CP*AP*(8OG)P*GP*TP*CP*TP*AP*CP*C)-3', 5'-D(*GP*GP*TP*AP*GP*AP*CP*AP*TP*GP*GP*A)-3', 8-oxoguanine-DNA-glycosylase, ...
著者Faucher, F, Doublie, S.
登録日2009-06-25
公開日2009-09-29
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Structural basis for the lack of opposite base specificity of Clostridium acetobutylicum 8-oxoguanine DNA glycosylase.
Dna Repair, 8, 2009
3HQW
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Discovery of novel inhibitors of PDE10A
分子名称: 4,5-bis(4-methoxyphenyl)-2-thiophen-2-yl-1H-imidazole, MAGNESIUM ION, ZINC ION, ...
著者Pandit, J, Marr, E.S.
登録日2009-06-08
公開日2009-08-04
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Discovery of a Novel Class of Phosphodiesterase 10A Inhibitors and Identification of Clinical Candidate 2-[4-(1-Methyl-4-pyridin-4-yl-1H-pyrazol-3-yl)-phenoxymethyl]-quinoline (PF-2545920) for the Treatment of Schizophrenia
J.Med.Chem., 52, 2009

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