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2FEC
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BU of 2fec by Molmil
Structure of the E203Q mutant of the Cl-/H+ exchanger CLC-ec1 from E.Coli
分子名称: Fab fragment, heavy chain, light chain, ...
著者Accardi, A, Walden, M.P, Nguitragool, W, Jayaram, H, Williams, C, Miller, C.
登録日2005-12-15
公開日2006-01-03
最終更新日2021-10-20
実験手法X-RAY DIFFRACTION (3.967 Å)
主引用文献Separate ion pathways in a Cl-/H+ exchanger
J.Gen.Physiol., 126, 2005
2FI4
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BU of 2fi4 by Molmil
Crystal structure of a BPTI variant (Cys14->Ser) in complex with trypsin
分子名称: 1,2-ETHANEDIOL, CALCIUM ION, Cationic trypsin, ...
著者Zakharova, E, Horvath, M.P, Goldenberg, D.P.
登録日2005-12-27
公開日2006-01-24
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (1.58 Å)
主引用文献Functional and structural roles of the Cys14-Cys38 disulfide of bovine pancreatic trypsin inhibitor.
J.Mol.Biol., 382, 2008
5HAP
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BU of 5hap by Molmil
OXA-48 beta-lactamase - S70A mutant
分子名称: (4S)-2-METHYL-2,4-PENTANEDIOL, 1,2-ETHANEDIOL, Beta-lactamase, ...
著者Stojanoski, V, Adamski, C.J, Hu, L, Mehta, S.C, Sankaran, B, Prasad, B.V.V, Palzkill, T.G.
登録日2015-12-30
公開日2016-09-07
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (1.89 Å)
主引用文献Removal of the Side Chain at the Active-Site Serine by a Glycine Substitution Increases the Stability of a Wide Range of Serine beta-Lactamases by Relieving Steric Strain.
Biochemistry, 55, 2016
5HAQ
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BU of 5haq by Molmil
OXa-48 beta-lactamase mutant - S70G
分子名称: Beta-lactamase, CADMIUM ION, FORMIC ACID
著者Stojanoski, V, Adamski, C.J, Hu, L, Mehta, S.C, Sankaran, B, Prasad, B.V.V, Palzkill, T.G.
登録日2015-12-30
公開日2016-09-07
最終更新日2019-12-11
実験手法X-RAY DIFFRACTION (2.14 Å)
主引用文献Removal of the Side Chain at the Active-Site Serine by a Glycine Substitution Increases the Stability of a Wide Range of Serine beta-Lactamases by Relieving Steric Strain.
Biochemistry, 55, 2016
2G5T
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BU of 2g5t by Molmil
Crystal structure of human dipeptidyl peptidase IV (DPPIV) complexed with cyanopyrrolidine (C5-pro-pro) inhibitor 21ag
分子名称: 3-{[(2R,5S)-5-{[(2S)-2-(AMINOMETHYL)PYRROLIDIN-1-YL]CARBONYL}PYRROLIDIN-2-YL]METHOXY}-4-CHLOROBENZOIC ACID, Dipeptidyl peptidase 4
著者Longenecker, K.L, Fry, E.H, Lake, M.R, Solomon, L.R, Pei, Z, Li, X.
登録日2006-02-23
公開日2006-07-04
最終更新日2017-10-18
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Discovery, structure-activity relationship, and pharmacological evaluation of (5-substituted-pyrrolidinyl-2-carbonyl)-2-cyanopyrrolidines as potent dipeptidyl peptidase IV inhibitors.
J.Med.Chem., 49, 2006
2GBO
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BU of 2gbo by Molmil
Protein of Unknown Function EF2458 from Enterococcus faecalis
分子名称: UPF0358 protein EF2458
著者Osipiuk, J, Wu, R, Bargassa, M, Joachimiak, A, Midwest Center for Structural Genomics (MCSG)
登録日2006-03-10
公開日2006-04-11
最終更新日2011-07-13
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献X-ray crystal structure of conserved hypothetical protein EF_2458 from Enterococcus faecalis.
To be Published
2GYQ
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BU of 2gyq by Molmil
YcfI, a putative structural protein from Rhodopseudomonas palustris.
分子名称: 1,2-ETHANEDIOL, ACETATE ION, FE (III) ION, ...
著者Osipiuk, J, Evdokimova, E, Kudritska, M, Savchenko, A, Edwards, A, Joachimiak, A, Midwest Center for Structural Genomics (MCSG)
登録日2006-05-09
公開日2006-06-13
最終更新日2024-05-29
実験手法X-RAY DIFFRACTION (1.4 Å)
主引用文献X-ray crystal structure of YcfI protein, a putative structural protein from Rhodopseudomonas palustris.
To be Published
2G2C
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BU of 2g2c by Molmil
Putative molybdenum cofactor biosynthesis protein from Corynebacterium diphtheriae.
分子名称: Putative molybdenum cofactor biosynthesis protein, SODIUM ION
著者Osipiuk, J, Li, H, Clancy, S, Joachimiak, A, Midwest Center for Structural Genomics (MCSG)
登録日2006-02-15
公開日2006-03-28
最終更新日2011-07-13
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献X-ray crystal structure of putative molybdenum cofactor biosynthesis protein from Corynebacterium diphtheriae.
To be Published
2G1T
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BU of 2g1t by Molmil
A Src-like Inactive Conformation in the Abl Tyrosine Kinase Domain
分子名称: ATP-Peptide Conjugate, MAGNESIUM ION, Proto-oncogene tyrosine-protein kinase ABL1, ...
著者Levinson, N.M, Kuchment, O.
登録日2006-02-14
公開日2006-05-23
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献A SRC-like inactive conformation in the abl tyrosine kinase domain.
Plos Biol., 4, 2006
2GKP
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BU of 2gkp by Molmil
Protein of Unknown Function NMB0488 from Neisseria meningitidis
分子名称: 1,2-ETHANEDIOL, BETA-MERCAPTOETHANOL, SODIUM ION, ...
著者Osipiuk, J, Volkart, L, Bargassa, M, Joachimiak, A, Midwest Center for Structural Genomics (MCSG)
登録日2006-04-03
公開日2006-05-02
最終更新日2021-03-10
実験手法X-RAY DIFFRACTION (1.35 Å)
主引用文献X-ray crystal structure of hypothetical protein NMB0488 from Neisseria meningitidis.
To be Published
2HDP
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BU of 2hdp by Molmil
Solution Structure of Hdm2 RING Finger Domain
分子名称: Ubiquitin-protein ligase E3 Mdm2, ZINC ION
著者Kostic, M, Matt, T, Yamout-Martinez, M, Dyson, H.J, Wright, P.E.
登録日2006-06-20
公開日2006-11-21
最終更新日2024-05-29
実験手法SOLUTION NMR
主引用文献Solution structure of the Hdm2 C2H2C4 RING, a domain critical for ubiquitination of p53.
J.Mol.Biol., 363, 2006
2GU3
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BU of 2gu3 by Molmil
YpmB protein from Bacillus subtilis
分子名称: NICKEL (II) ION, YpmB protein
著者Osipiuk, J, Maltseva, N, Dementieva, I, Moy, S, Joachimiak, A, Midwest Center for Structural Genomics (MCSG)
登録日2006-04-28
公開日2006-05-30
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (1.74 Å)
主引用文献X-ray crystal structure of YpmB protein from Bacillus subtilis.
To be Published
2HDR
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BU of 2hdr by Molmil
AmpC beta-lactamase in complex with 4-Amino-3-hydroxybenzoic acid
分子名称: 4-AMINO-3-HYDROXYBENZOIC ACID, Beta-lactamase, PHOSPHATE ION
著者Babaoglu, K, Shoichet, B.K.
登録日2006-06-20
公開日2006-11-07
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Deconstructing fragment-based inhibitor discovery
Nat.Chem.Biol., 2, 2006
2GRX
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BU of 2grx by Molmil
Crystal structure of TonB in complex with FhuA, E. coli outer membrane receptor for ferrichrome
分子名称: 2-AMINO-VINYL-PHOSPHATE, 3-HYDROXY-TETRADECANOIC ACID, 3-deoxy-alpha-D-manno-oct-2-ulopyranosonic acid-(2-4)-[L-glycero-alpha-D-manno-heptopyranose-(1-5)]3-deoxy-alpha-D-manno-oct-2-ulopyranosonic acid-(2-6)-2-amino-2,3-dideoxy-alpha-D-glucoyranose-(1-6)-2-amino-2,3-dideoxy-alpha-D-glucoyranose, ...
著者Pawelek, P.D, Allaire, M, Coulton, J.W.
登録日2006-04-25
公開日2006-06-13
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (3.3 Å)
主引用文献Structure of TonB in complex with FhuA, E. coli outer membrane receptor.
Science, 312, 2006
4UV7
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BU of 4uv7 by Molmil
The complex structure of extracellular domain of EGFR and GC1118A
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, EPIDERMAL GROWTH FACTOR RECEPTOR, ...
著者Yoo, J.H, Cho, H.S.
登録日2014-08-05
公開日2015-10-14
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Gc1118, an Anti-Egfr Antibody with a Distinct Binding Epitope and Superior Inhibitory Activity Against High-Affinity Egfr Ligands.
Mol.Cancer Ther., 15, 2016
2J6W
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BU of 2j6w by Molmil
R164N mutant of the RUNX1 Runt domain
分子名称: CHLORIDE ION, RUNT-RELATED TRANSCRIPTION FACTOR 1
著者Grembecka, J, Zhe, L, Lukasik, S.M, Liu, Y, Bielnicka, I, Bushweller, J.H, Speck, N.A.
登録日2006-10-04
公開日2007-10-09
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献A Mutation in the S-Switch Region of the Runt Domain Alters the Dynamics of an Allosteric Network Responsible for Cbfbeta Regulation.
J.Mol.Biol., 364, 2006
4X47
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BU of 4x47 by Molmil
Crystal structure of the intramolecular trans-sialidase from Ruminococcus gnavus in complex with Neu5Ac2en
分子名称: 2-DEOXY-2,3-DEHYDRO-N-ACETYL-NEURAMINIC ACID, Anhydrosialidase, PHOSPHATE ION
著者Owen, C.D, Tailford, L.E, Taylor, G.L, Juge, N.
登録日2014-12-02
公開日2015-07-22
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Discovery of intramolecular trans-sialidases in human gut microbiota suggests novel mechanisms of mucosal adaptation.
Nat Commun, 6, 2015
4L7I
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BU of 4l7i by Molmil
Crystal structure of S-Adenosylmethionine synthase from Sulfolobus solfataricus complexed with SAM and PPi
分子名称: DIPHOSPHATE, MAGNESIUM ION, PHOSPHATE ION, ...
著者Wang, F, Hurley, K.A, Helmich, K.E, Singh, S, Bingman, C.A, Thorson, J.S, Phillips Jr, G.N, Enzyme Discovery for Natural Product Biosynthesis (NatPro)
登録日2013-06-13
公開日2013-07-03
最終更新日2023-12-06
実験手法X-RAY DIFFRACTION (2.189 Å)
主引用文献Understanding molecular recognition of promiscuity of thermophilic methionine adenosyltransferase sMAT from Sulfolobus solfataricus.
Febs J., 281, 2014
9BNQ
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BU of 9bnq by Molmil
N-(4-(isothiocyanatomethyl)phenyl)methanesulfonamide complexed with Macrophage Migration Inhibitory Factor
分子名称: ISOPROPYL ALCOHOL, Macrophage migration inhibitory factor, N-{[4-(methanesulfonamido)phenyl]methyl}methanethioamide, ...
著者Fellner, M, Rutledge, M.T, Putha, L, Kok, L.K, Gamble, A.B, Wilbanks, S.M, Vernall, A.J, Tyndall, J.D.A.
登録日2024-05-02
公開日2024-07-24
実験手法X-RAY DIFFRACTION (1.09 Å)
主引用文献Covalent isothiocyanate inhibitors of macrophage migration inhibitory factor as potential colorectal cancer treatments.
Chemmedchem, 2024
9BNR
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BU of 9bnr by Molmil
4-(2-isothiocyanatoethyl)benzenesulfonamide complexed with Macrophage Migration Inhibitory Factor
分子名称: Macrophage migration inhibitory factor, N-[2-(4-sulfamoylphenyl)ethyl]methanethioamide, SULFATE ION
著者Fellner, M, Rutledge, M.T, Putha, L, Kok, L.K, Gamble, A.B, Wilbanks, S.M, Vernall, A.J, Tyndall, J.D.A.
登録日2024-05-02
公開日2024-07-24
実験手法X-RAY DIFFRACTION (1.53 Å)
主引用文献Covalent isothiocyanate inhibitors of macrophage migration inhibitory factor as potential colorectal cancer treatments.
Chemmedchem, 2024
4X6K
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BU of 4x6k by Molmil
Crystal structure of the intramolecular trans-sialidase from Ruminococcus gnavus in complex with Siastatin B
分子名称: (2S,3R,4S,5S)-2-(acetylamino)-5-carboxy-3,4-dihydroxypiperidinium, ACETYL GROUP, Anhydrosialidase
著者Owen, C.D, Tailford, L.E, Taylor, G.L, Juge, N.
登録日2014-12-08
公開日2015-07-22
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.94 Å)
主引用文献Discovery of intramolecular trans-sialidases in human gut microbiota suggests novel mechanisms of mucosal adaptation.
Nat Commun, 6, 2015
2JG7
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BU of 2jg7 by Molmil
Crystal structure of Seabream Antiquitin and Elucidation of its substrate specificity
分子名称: ANTIQUITIN, NICOTINAMIDE-ADENINE-DINUCLEOTIDE
著者Tang, W.K, Wong, K.B, Cha, S.S, Lee, H.S, Cheng, C.H.K, Fong, W.P.
登録日2007-02-09
公開日2008-05-13
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (2.83 Å)
主引用文献The Crystal Structure of Seabream Antiquitin Reveals the Structural Basis of its Substrate Specificity.
FEBS Lett., 582, 2008
4LRE
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BU of 4lre by Molmil
Phosphopentomutase soaked with 2,3-dideoxyribose 5-phosphate
分子名称: 2,3-dideoxy-5-O-phosphono-alpha-D-ribofuranose, MANGANESE (II) ION, Phosphopentomutase
著者Birmingham, W.A, Starbird, C.A, Panosian, T.D, Nannemann, D.P, Iverson, T.M, Bachmann, B.O.
登録日2013-07-19
公開日2013-07-31
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Bioretrosynthetic construction of a didanosine biosynthetic pathway.
Nat.Chem.Biol., 10, 2014
2JH5
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BU of 2jh5 by Molmil
Human Thrombin Hirugen Inhibitor complex
分子名称: 2-(5-CHLORO-2-THIENYL)-N-{(3S)-1-[(1S)-1-METHYL-2-MORPHOLIN-4-YL-2-OXOETHYL]-2-OXOPYRROLIDIN-3-YL}ETHENESULFONAMIDE, CALCIUM ION, HIRUDIN IIIA, ...
著者Senger, S, Chan, C, Convery, M.A, Hubbard, J.A, Young, R.J, Shah, G.P, Watson, N.S.
登録日2007-02-20
公開日2007-05-08
最終更新日2017-06-28
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Sulfonamide-Related Conformational Effects and Their Importance in Structure-Based Design.
Bioorg.Med.Chem.Lett., 17, 2007
2JH0
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BU of 2jh0 by Molmil
Human Thrombin Hirugen Inhibitor complex
分子名称: (2R)-2-(5-CHLORO-2-THIENYL)-N-{(3S)-1-[(1S)-1-METHYL-2-MORPHOLIN-4-YL-2-OXOETHYL]-2-OXOPYRROLIDIN-3-YL}PROPENE-1-SULFONAMIDE, CALCIUM ION, HIRUDIN IIIA, ...
著者Senger, S, Chan, C, Convery, M.A, Hubbard, J.A, Young, R.J, Shah, G.P, Watson, N.S.
登録日2007-02-19
公開日2007-05-08
最終更新日2013-08-07
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Sulfonamide-Related Conformational Effects and Their Importance in Structure-Based Design.
Bioorg.Med.Chem.Lett., 17, 2007

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