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6TQF
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BU of 6tqf by Molmil
The structure of ABC transporter Rv1819c in AMP-PNP bound state
分子名称: ABC transporter ATP-binding protein/permease, DODECYL-BETA-D-MALTOSIDE, MAGNESIUM ION, ...
著者Rempel, S, Gati, C, Slotboom, D.J, Guskov, A.
登録日2019-12-16
公開日2020-04-01
最終更新日2025-07-09
実験手法ELECTRON MICROSCOPY (3.5 Å)
主引用文献A mycobacterial ABC transporter mediates the uptake of hydrophilic compounds.
Nature, 580, 2020
1KH5
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BU of 1kh5 by Molmil
E. COLI ALKALINE PHOSPHATASE MUTANT (D330N) MIMIC OF THE TRANSITION STATES WITH ALUMINIUM FLUORIDE
分子名称: ALKALINE PHOSPHATASE, ALUMINUM FLUORIDE, MAGNESIUM ION, ...
著者Le Du, M.H, Lamoure, C, Muller, B.H, Bulgakov, O.V, Lajeunesse, E.
登録日2001-11-29
公開日2002-03-13
最終更新日2024-11-20
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Artificial evolution of an enzyme active site: structural studies of three highly active mutants of Escherichia coli alkaline phosphatase.
J.Mol.Biol., 316, 2002
1KHJ
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BU of 1khj by Molmil
E. COLI ALKALINE PHOSPHATASE MUTANT (D153HD330N) MIMIC OF THE TRANSITION STATES WITH ALUMINIUM FLUORIDE
分子名称: ALUMINUM FLUORIDE, Alkaline phosphatase, ZINC ION
著者Le Du, M.H, Lamoure, C, Muller, B.H, Bulgakov, O.V, Lajeunesse, E, Menez, A, Boulain, J.C.
登録日2001-11-30
公開日2002-03-13
最終更新日2024-11-06
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Artificial evolution of an enzyme active site: structural studies of three highly active mutants of Escherichia coli alkaline phosphatase.
J.Mol.Biol., 316, 2002
1KR3
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BU of 1kr3 by Molmil
Crystal Structure of the Metallo beta-Lactamase from Bacteroides fragilis (CfiA) in Complex with the Tricyclic Inhibitor SB-236050.
分子名称: 7,8-DIHYDROXY-1-METHOXY-3-METHYL-10-OXO-4,10-DIHYDRO-1H,3H-PYRANO[4,3-B]CHROMENE-9-CARBOXYLIC ACID, SODIUM ION, ZINC ION, ...
著者Payne, D.J, Hueso-Rodrguez, J.A, Boyd, H, Concha, N.O, Janson, C.A, Gilpin, M, Bateson, J.H, Cheever, C, Niconovich, N.L, Pearson, S, Rittenhouse, S, Tew, D, Dez, E, Prez, P, de la Fuente, J, Rees, M, Rivera-Sagredo, A.
登録日2002-01-08
公開日2003-01-08
最終更新日2023-08-16
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Identification of a series of tricyclic natural products as potent broad-spectrum inhibitors of metallo-beta-lactamases
ANTIMICROB.AGENTS CHEMOTHER., 46, 2002
4LJ8
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BU of 4lj8 by Molmil
ClpB NBD2 R621Q from T. thermophilus in complex with ADP
分子名称: ADENOSINE-5'-DIPHOSPHATE, Chaperone protein ClpB
著者Zeymer, C, Barends, T.R.M, Werbeck, N.D, Schlichting, I, Reinstein, J.
登録日2013-07-04
公開日2014-02-12
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Elements in nucleotide sensing and hydrolysis of the AAA+ disaggregation machine ClpB: a structure-based mechanistic dissection of a molecular motor
Acta Crystallogr.,Sect.D, 70, 2014
1KSE
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BU of 1kse by Molmil
Solution Structure of a quinolone-capped DNA duplex
分子名称: 5'-D(*(5AT)P*GP*CP*GP*CP*A)-3', OXOLINIC ACID
著者Tuma, J, Connors, W.H, Stitelman, D.H, Richert, C.
登録日2002-01-12
公開日2002-05-08
最終更新日2024-05-22
実験手法SOLUTION NMR
主引用文献On the effect of covalently appended quinolones on termini of DNA duplexes.
J.Am.Chem.Soc., 124, 2002
4LLP
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BU of 4llp by Molmil
Crystal structure of PDE10A2 with fragment ZT401
分子名称: 4-amino-2-methylphenol, NICKEL (II) ION, cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A
著者Sridhar, V, Badger, J, Logan, C, Chie-Leon, B, Nienaber, V.
登録日2013-07-09
公開日2014-02-26
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.75 Å)
主引用文献Identification and Optimization of PDE10A Inhibitors Using Fragment-Based Screening by Nanocalorimetry and X-ray Crystallography.
J Biomol Screen, 19, 2014
4LM4
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BU of 4lm4 by Molmil
Crystal structure of PDE10A2 with fragment ZT902
分子名称: NICKEL (II) ION, cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A, quinazolin-4(1H)-one
著者Sridhar, V, Badger, J, Logan, C, Chie-Leon, B, Nienaber, V.
登録日2013-07-10
公開日2014-02-26
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.48 Å)
主引用文献Identification and Optimization of PDE10A Inhibitors Using Fragment-Based Screening by Nanocalorimetry and X-ray Crystallography.
J Biomol Screen, 19, 2014
4LMW
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BU of 4lmw by Molmil
Crystal structure of glutathione transferase GSTFuA3 from Phanerochaete chrysosporium
分子名称: FORMIC ACID, Glutathione transferase
著者Didierjean, C, Favier, F, Prosper, P.
登録日2013-07-11
公開日2014-05-28
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (2.099 Å)
主引用文献Diversification of fungal specific class a glutathione transferases in saprotrophic fungi.
Plos One, 8, 2013
1KTM
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BU of 1ktm by Molmil
SOLUTION STRUCTURE OF FAT DOMAIN OF FOCAL ADHESION KINASE
分子名称: FOCAL ADHESION KINASE 1
著者Liu, G, Guibao, C, Zheng, J.
登録日2002-01-16
公開日2003-01-16
最終更新日2024-05-22
実験手法SOLUTION NMR
主引用文献Structural Insight into the Mechanisms of Targeting and Signaling of Focal Adhesion Kinase
Mol.Cell.Biol., 22, 2002
1KV7
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BU of 1kv7 by Molmil
Crystal Structure of CueO, a multi-copper oxidase from E. coli involved in copper homeostasis
分子名称: COPPER (II) ION, CU-O-CU LINKAGE, PROBABLE BLUE-COPPER PROTEIN YACK
著者Roberts, S.A, Weichsel, A, Grass, G, Thakali, K, Hazzard, J.T, Tollin, G, Rensing, C, Montfort, W.R.
登録日2002-01-25
公開日2002-02-06
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (1.4 Å)
主引用文献Crystal structure and electron transfer kinetics of CueO, a multicopper oxidase required for copper homeostasis in Escherichia coli.
Proc.Natl.Acad.Sci.USA, 99, 2002
1KV2
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Human p38 MAP Kinase in Complex with BIRB 796
分子名称: 1-(5-TERT-BUTYL-2-P-TOLYL-2H-PYRAZOL-3-YL)-3-[4-(2-MORPHOLIN-4-YL-ETHOXY)-NAPHTHALEN-1-YL]-UREA, p38 MAP kinase
著者Pargellis, C, Tong, L, Churchill, L, Cirillo, P.F, Gilmore, T, Graham, A.G, Grob, P.M, Hickey, E.R, Moss, N, Pav, S, Regan, J.
登録日2002-01-23
公開日2002-03-27
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Inhibition of p38 MAP kinase by utilizing a novel allosteric binding site.
Nat.Struct.Biol., 9, 2002
4LAY
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BU of 4lay by Molmil
Crystal Structure Analysis of FKBP52, Complex with I63
分子名称: Peptidyl-prolyl cis-trans isomerase FKBP4, {3-[(1R)-3-(3,4-dimethoxyphenyl)-1-({[(2S)-1-(3,3-dimethyl-2-oxopentanoyl)piperidin-2-yl]carbonyl}oxy)propyl]phenoxy}acetic acid
著者Bracher, A, Kozany, C, Haehle, A, Wild, P, Zacharias, M, Hausch, F.
登録日2013-06-20
公開日2013-08-21
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Crystal Structures of the Free and Ligand-Bound FK1-FK2 Domain Segment of FKBP52 Reveal a Flexible Inter-Domain Hinge.
J.Mol.Biol., 425, 2013
1KWI
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BU of 1kwi by Molmil
Crystal Structure Analysis of the Cathelicidin Motif of Protegrins
分子名称: Protegrin-3 Precursor
著者Sanchez, J.F, Hoh, F, Strub, M.P, Aumelas, A, Dumas, C.
登録日2002-01-29
公開日2002-10-09
最終更新日2024-11-20
実験手法X-RAY DIFFRACTION (2.19 Å)
主引用文献Structure of the cathelicidin motif of protegrin-3 precursor: structural insights into the activation mechanism of an antimicrobial protein.
Structure, 10, 2002
4LAV
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BU of 4lav by Molmil
Crystal Structure Analysis of FKBP52, Crystal Form II
分子名称: Peptidyl-prolyl cis-trans isomerase FKBP4, SULFATE ION
著者Bracher, A, Kozany, C, Haehle, A, Wild, P, Zacharias, M, Hausch, F.
登録日2013-06-20
公開日2013-08-21
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Crystal Structures of the Free and Ligand-Bound FK1-FK2 Domain Segment of FKBP52 Reveal a Flexible Inter-Domain Hinge.
J.Mol.Biol., 425, 2013
1KXQ
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BU of 1kxq by Molmil
Camelid VHH Domain in Complex with Porcine Pancreatic alpha-Amylase
分子名称: CALCIUM ION, CHLORIDE ION, alpha-amylase, ...
著者Desmyter, A, Spinelli, S, Payan, F, Lauwereys, M, Wyns, L, Muyldermans, S, Cambillau, C.
登録日2002-02-01
公開日2002-06-19
最終更新日2024-11-06
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Three camelid VHH domains in complex with porcine pancreatic alpha-amylase. Inhibition and versatility of binding topology.
J.Biol.Chem., 277, 2002
4LKX
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BU of 4lkx by Molmil
Humanized antibody 4B12 Fab complexed with a CemX segment
分子名称: CemX segment, Fab fragment heavy chain, Fab fragment light chain
著者Chu, H.M, Wright, J, Chan, Y.H, Lin, C.J, Chang, T.W, Lim, C.
登録日2013-07-09
公開日2014-01-29
最終更新日2024-11-20
実験手法X-RAY DIFFRACTION (1.92 Å)
主引用文献Two potential therapeutic antibodies bind to a peptide segment of membrane-bound IgE in different conformations.
Nat Commun, 5, 2014
4LM1
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Crystal structure of PDE10A2 with fragment ZT450
分子名称: 5-nitroquinoline, NICKEL (II) ION, cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A
著者Sridhar, V, Badger, J, Logan, C, Chie-Leon, B, Nienaber, V.
登録日2013-07-09
公開日2014-02-26
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Identification and Optimization of PDE10A Inhibitors Using Fragment-Based Screening by Nanocalorimetry and X-ray Crystallography.
J Biomol Screen, 19, 2014
4LAW
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BU of 4law by Molmil
Crystal Structure Analysis of FKBP52, Crystal Form III
分子名称: DIMETHYL SULFOXIDE, Peptidyl-prolyl cis-trans isomerase FKBP4
著者Bracher, A, Kozany, C, Haehle, A, Wild, P, Zacharias, M, Hausch, F.
登録日2013-06-20
公開日2013-08-21
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Crystal Structures of the Free and Ligand-Bound FK1-FK2 Domain Segment of FKBP52 Reveal a Flexible Inter-Domain Hinge.
J.Mol.Biol., 425, 2013
2I59
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Solution structure of RGS10
分子名称: Regulator of G-protein signaling 10
著者Fedorov, O, Higman, V.A, Diehl, A, Leidert, M, Lemak, A, Schmieder, P, Oschkinat, H, Elkins, J, Soundarajan, M, Doyle, D.A, Arrowsmith, C, Sundstrom, M, Weigelt, J, Edwards, A, Ball, L.J, Structural Genomics Consortium (SGC)
登録日2006-08-24
公開日2006-10-31
最終更新日2024-05-08
実験手法SOLUTION NMR
主引用文献Structural diversity in the RGS domain and its interaction with heterotrimeric G protein alpha-subunits.
Proc.Natl.Acad.Sci.Usa, 105, 2008
1KV1
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BU of 1kv1 by Molmil
p38 MAP Kinase in Complex with Inhibitor 1
分子名称: 1-(5-TERT-BUTYL-2-METHYL-2H-PYRAZOL-3-YL)-3-(4-CHLORO-PHENYL)-UREA, p38 MAP kinase
著者Pargellis, C, Tong, L, Churchill, L, Cirillo, P.F, Gilmore, T, Graham, A.G, Grob, P.M, Hickey, E.R, Moss, N, Pav, S, Regan, J.
登録日2002-01-23
公開日2002-03-27
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Inhibition of p38 MAP kinase by utilizing a novel allosteric binding site.
Nat.Struct.Biol., 9, 2002
4LLX
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BU of 4llx by Molmil
Crystal structure of PDE10A2 with fragment ZT434
分子名称: 4,6-dimethylpyrimidin-2-amine, NICKEL (II) ION, cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A
著者Sridhar, V, Badger, J, Logan, C, Chie-Leon, B, Nienaber, V.
登録日2013-07-09
公開日2014-02-26
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.75 Å)
主引用文献Identification and Optimization of PDE10A Inhibitors Using Fragment-Based Screening by Nanocalorimetry and X-ray Crystallography.
J Biomol Screen, 19, 2014
4LJ4
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BU of 4lj4 by Molmil
ClpB NBD2 from T. thermophilus, nucleotide-free
分子名称: Chaperone protein ClpB, PHOSPHATE ION
著者Zeymer, C, Barends, T.R.M, Werbeck, N.D, Schlichting, I, Reinstein, J.
登録日2013-07-04
公開日2014-02-12
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Elements in nucleotide sensing and hydrolysis of the AAA+ disaggregation machine ClpB: a structure-based mechanistic dissection of a molecular motor
Acta Crystallogr.,Sect.D, 70, 2014
2HQI
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BU of 2hqi by Molmil
NMR SOLUTION STRUCTURE OF THE OXIDIZED FORM OF MERP, 14 STRUCTURES
分子名称: MERCURIC TRANSPORT PROTEIN
著者Qian, H, Sahlman, L, Eriksson, P.O, Hambreus, C, Edlund, U, Sethson, I.
登録日1998-03-31
公開日1998-11-11
最終更新日2024-10-09
実験手法SOLUTION NMR
主引用文献NMR solution structure of the oxidized form of MerP, a mercuric ion binding protein involved in bacterial mercuric ion resistance.
Biochemistry, 37, 1998
4LDF
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BU of 4ldf by Molmil
Crystal Structure of CpBRD2 from cryptosporidium, cgd3_3190
分子名称: GCN5 like acetylase + bromodomain, GLYCEROL, UNKNOWN ATOM OR ION
著者Wernimont, A.K, Loppnau, P, Fonseca, M, Knapp, S, Tempel, W, Bountra, C, Arrowsmith, C.H, Edwards, A.M, Hui, R, Mottaghi, K, Structural Genomics Consortium (SGC)
登録日2013-06-24
公開日2013-07-24
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Crystal Structure of CpBRD2 from cryptosporidium, cgd3_3190
TO BE PUBLISHED

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件を2025-07-09に公開中

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