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2BUR
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BU of 2bur by Molmil
Crystal Structure Of Wild-Type Protocatechuate 3,4-Dioxygenase from Acinetobacter Sp. ADP1 in Complex with 4-hydroxybenzoate
分子名称: FE (III) ION, P-HYDROXYBENZOIC ACID, PROTOCATECHUATE 3,4-DIOXYGENASE ALPHA CHAIN, ...
著者Vetting, M.W, Valley, M.P, D'Argenio, D.A, Ornston, L.N, Lipscomb, J.D, Ohlendorf, D.H.
登録日2005-06-17
公開日2006-09-05
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Biophysical Analyses of Designed and Selected Mutants of Protocatechuate 3,4-Dioxygenase
Annu.Rev.Microbiol., 58, 2004
3USC
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BU of 3usc by Molmil
Crystal Structure of E. coli hydrogenase-1 in a ferricyanide-oxidized form
分子名称: CARBONMONOXIDE-(DICYANO) IRON, CHLORIDE ION, DODECYL-BETA-D-MALTOSIDE, ...
著者Volbeda, A, Fontecilla-Camps, J.C, Darnault, C.
登録日2011-11-23
公開日2012-03-28
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献X-ray crystallographic and computational studies of the O2-tolerant [NiFe]-hydrogenase 1 from Escherichia coli.
Proc.Natl.Acad.Sci.USA, 109, 2012
4FOE
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BU of 4foe by Molmil
Crystal Structure of recombinant human Hexokinase type I with Mannose 6-Phosphate
分子名称: 6-O-phosphono-beta-D-mannopyranose, CITRIC ACID, Hexokinase-1, ...
著者Shen, L, Honzatko, R.B.
登録日2012-06-20
公開日2013-07-03
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献Inhibitor Sites of Unequal Affinity Linked by Binding Synergism in Mutant Forms of Recombinant Human Hexokinase Type-I
to be published
4FR0
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BU of 4fr0 by Molmil
ArsM arsenic(III) S-adenosylmethionine methyltransferase with SAM
分子名称: Arsenic methyltransferase, S-ADENOSYLMETHIONINE
著者Ajees, A.A, Marapakala, K, Packianathan, C, Sankaran, B, Rosen, B.P.
登録日2012-06-26
公開日2012-07-11
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (2.75 Å)
主引用文献Structure of an As(III) S-Adenosylmethionine Methyltransferase: Insights into the Mechanism of Arsenic Biotransformation.
Biochemistry, 51, 2012
3UJG
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BU of 3ujg by Molmil
Crystal structure of SnRK2.6 in complex with HAB1
分子名称: MAGNESIUM ION, Protein phosphatase 2C 16, SULFATE ION, ...
著者Zhou, X.E, Soon, F.-F, Ng, L.-M, Kovach, A, Tan, M.H.E, Suino-Powell, K.M, He, Y, Xu, Y, Brunzelle, J.S, Li, J, Melcher, K, Xu, H.E.
登録日2011-11-07
公開日2012-02-15
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Molecular mimicry regulates ABA signaling by SnRK2 kinases and PP2C phosphatases.
Science, 335, 2012
4FR7
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BU of 4fr7 by Molmil
Crystal structure of the metallo-beta-lactamase VIM-31 in its reduced form at 1.61 A
分子名称: ACETATE ION, CHLORIDE ION, Metallo-beta-lactamase VIM-31, ...
著者Herzog, K, Hoffmann, K.M.
登録日2012-06-26
公開日2013-06-26
最終更新日2023-12-06
実験手法X-RAY DIFFRACTION (1.61 Å)
主引用文献The three-dimensional structure of VIM-31 - a metallo-beta-lactamase from Enterobacter cloacae in its native and oxidized form.
Febs J., 282, 2015
3UV2
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BU of 3uv2 by Molmil
Crystal structure of the bromodomain of human nucleosome-remodeling factor subunit BPTF
分子名称: 2-(2-(2-(2-(2-(2-ETHOXYETHOXY)ETHOXY)ETHOXY)ETHOXY)ETHOXY)ETHANOL, bromodomain of human nucleosome-remodeling factor subunit BPTF
著者Filippakopoulos, P, Picaud, S, Keates, T, Ugochukwu, E, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Weigelt, J, Bountra, C, Knapp, S, Structural Genomics Consortium (SGC)
登録日2011-11-29
公開日2012-01-18
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (1.58 Å)
主引用文献Histone recognition and large-scale structural analysis of the human bromodomain family.
Cell(Cambridge,Mass.), 149, 2012
8ELB
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BU of 8elb by Molmil
CTX-M-14 beta-lactamase mutant- N132A
分子名称: Beta-lactamase, DI(HYDROXYETHYL)ETHER
著者Lu, S, Neetu, N, Palzkill, T.
登録日2022-09-23
公開日2023-04-05
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Mutagenesis and structural analysis reveal the CTX-M beta-lactamase active site is optimized for cephalosporin catalysis and drug resistance.
J.Biol.Chem., 299, 2023
3UVC
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BU of 3uvc by Molmil
MMP12 in a complex with the dimeric adduct: 5-(5-phenylhydantoin)-5-phenylhydantoin
分子名称: (4R,4'S)-4,4'-diphenyl-4,4'-biimidazolidine-2,2',5,5'-tetrone, 1,2-ETHANEDIOL, CALCIUM ION, ...
著者Derbyshire, D.J, Danielson, H, Nystrum, S.
登録日2011-11-29
公開日2013-01-02
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (1.3 Å)
主引用文献Characterization of fragments interacting with MMP-12
To be Published
4FHP
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BU of 4fhp by Molmil
Crystal structures of the Cid1 poly (U) polymerase reveal the mechanism for UTP selectivity - CaUTP bound
分子名称: CALCIUM ION, GLYCEROL, Poly(A) RNA polymerase protein cid1, ...
著者Lunde, B.M, Magler, I, Meinhart, A.
登録日2012-06-06
公開日2012-08-29
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Crystal structures of the Cid1 poly (U) polymerase reveal the mechanism for UTP selectivity.
Nucleic Acids Res., 40, 2012
4FRE
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BU of 4fre by Molmil
Crystal Structure of BBBB+UDP+Gal at pH 6.5 with MPD as the cryoprotectant
分子名称: DI(HYDROXYETHYL)ETHER, Histo-blood group ABO system transferase, URIDINE-5'-DIPHOSPHATE, ...
著者Johal, A.R, Alfaro, J.A, Blackler, R.J, Schuman, B, Borisova, S.N, Evans, S.V.
登録日2012-06-26
公開日2013-12-25
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献pH-induced conformational changes in human ABO(H) blood group glycosyltransferases confirm the importance of electrostatic interactions in the formation of the semi-closed state.
Glycobiology, 24, 2014
3UK2
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BU of 3uk2 by Molmil
The structure of Pantothenate synthetase from Burkholderia thailandensis
分子名称: 1,2-ETHANEDIOL, ADENOSINE MONOPHOSPHATE, CHLORIDE ION, ...
著者Seattle Structural Genomics Center for Infectious Disease (SSGCID)
登録日2011-11-08
公開日2011-11-16
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.25 Å)
主引用文献Combining functional and structural genomics to sample the essential Burkholderia structome.
Plos One, 8, 2013
4FRM
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BU of 4frm by Molmil
Crystal Structure of BBBB+UDP+Gal at pH 7.0 with MPD as the cryoprotectant
分子名称: Histo-blood group ABO system transferase, URIDINE-5'-DIPHOSPHATE, beta-D-galactopyranose
著者Johal, A.R, Alfaro, J.A, Blackler, R.J, Schuman, B, Borisova, S.N, Evans, S.V.
登録日2012-06-26
公開日2013-12-25
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献pH-induced conformational changes in human ABO(H) blood group glycosyltransferases confirm the importance of electrostatic interactions in the formation of the semi-closed state.
Glycobiology, 24, 2014
3UKJ
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BU of 3ukj by Molmil
Crystal structure of extracellular ligand-binding receptor from Rhodopseudomonas palustris HaA2
分子名称: 3-(4-HYDROXY-PHENYL)PYRUVIC ACID, Extracellular ligand-binding receptor, GLYCEROL, ...
著者Chang, C, Mack, J, Zerbs, S, Collart, F, Joachimiak, A, Midwest Center for Structural Genomics (MCSG)
登録日2011-11-09
公開日2011-11-23
最終更新日2013-09-25
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Structural and functional characterization of solute binding proteins for aromatic compounds derived from lignin: p-Coumaric acid and related aromatic acids.
Proteins, 81, 2013
4FI7
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BU of 4fi7 by Molmil
Kinetic Stabilization of transthyretin through covalent modification of K15 by 3-(5-(3,5-dichloro-4-hydroxyphenyl)-1,3,4-oxadiazol-2-yl)-benzenesulfonamide
分子名称: 3-[5-(3,5-dichloro-4-hydroxyphenyl)-1,3,4-oxadiazol-2-yl]benzenesulfonyl fluoride, Transthyretin
著者Connelly, S, Grimster, N, Wilson, I.A, Kelly, J.W.
登録日2012-06-08
公開日2013-02-20
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (1.402 Å)
主引用文献Aromatic Sulfonyl Fluorides Covalently Kinetically Stabilize Transthyretin to Prevent Amyloidogenesis while Affording a Fluorescent Conjugate.
J.Am.Chem.Soc., 135, 2013
3UVW
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BU of 3uvw by Molmil
Crystal Structure of the first bromodomain of human BRD4 in complex with a diacetylated histone 4 peptide (H4K5acK8ac)
分子名称: 1,2-ETHANEDIOL, Bromodomain-containing protein 4, Histone H4
著者Filippakopoulos, P, Felletar, I, Picaud, S, Keates, T, Muniz, J, Gileadi, O, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Weigelt, J, Bountra, C, Knapp, S, Structural Genomics Consortium (SGC)
登録日2011-11-30
公開日2012-01-18
最終更新日2023-12-06
実験手法X-RAY DIFFRACTION (1.37 Å)
主引用文献Histone recognition and large-scale structural analysis of the human bromodomain family.
Cell(Cambridge,Mass.), 149, 2012
4FKL
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BU of 4fkl by Molmil
Crystal structure of the cdk2 in complex with thiazolylpyrimidine inhibitor
分子名称: 4-(2,4-DIMETHYL-1,3-THIAZOL-5-YL)PYRIMIDIN-2-AMINE, Cyclin-dependent kinase 2
著者Kang, Y.N, Stuckey, J.A.
登録日2012-06-13
公開日2013-05-08
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (1.26 Å)
主引用文献Crystal structure of the cdk2 in complex with thiazolylpyrimidine inhibitor
To be Published
4FII
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BU of 4fii by Molmil
Catalytic domain of human PAK4 with RPKPLVDP peptide
分子名称: Serine/threonine-protein kinase PAK 4
著者Ha, B.H, Boggon, T.J.
登録日2012-06-08
公開日2012-09-12
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Type II p21-activated kinases (PAKs) are regulated by an autoinhibitory pseudosubstrate.
Proc.Natl.Acad.Sci.USA, 109, 2012
8EUN
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BU of 8eun by Molmil
MicroED structure of an Aeropyrum pernix protoglobin metallo-carbene complex
分子名称: Protogloblin ApPgb, benzyl[3,3'-(7,12-diethenyl-3,8,13,17-tetramethylporphyrin-2,18-diyl-kappa~4~N~21~,N~22~,N~23~,N~24~)di(propanoato)(2-)]iron
著者Danelius, E, Gonen, T, Unge, J.T.
登録日2022-10-19
公開日2023-04-05
最終更新日2024-05-22
実験手法ELECTRON CRYSTALLOGRAPHY (2.5 Å)
主引用文献MicroED Structure of a Protoglobin Reactive Carbene Intermediate.
J.Am.Chem.Soc., 145, 2023
3UW9
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BU of 3uw9 by Molmil
Crystal Structure of the first bromodomain of human BRD4 in complex with a diacetylated histone 4 peptide (H4K8acK12ac)
分子名称: Bromodomain-containing protein 4, histone 4 peptide (H4K8acK12ac)
著者Filippakopoulos, P, Felletar, I, Picaud, S, Keates, T, Muniz, J, Gileadi, O, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Weigelt, J, Bountra, C, Knapp, S, Structural Genomics Consortium (SGC)
登録日2011-12-01
公開日2012-03-14
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Histone recognition and large-scale structural analysis of the human bromodomain family.
Cell(Cambridge,Mass.), 149, 2012
4WH4
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BU of 4wh4 by Molmil
Protein GB1 Quadruple Mutant I6H/N8H/K28H/Q32H
分子名称: GLYCEROL, Immunoglobulin G-binding protein G, SULFATE ION
著者Cunningham, T.C, Horne, W.S, Saxena, S.
登録日2014-09-19
公開日2015-08-05
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献The double-histidine Cu2+-binding motif: a highly rigid, site-specific spin probe for electron spin resonance distance measurements.
Angew.Chem.Int.Ed.Engl., 54, 2015
3UL9
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BU of 3ul9 by Molmil
structure of the TV3 mutant M41E
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, SULFATE ION, Toll-like receptor 4, ...
著者Kim, H.J, Cheong, H.K, Jeon, Y.H.
登録日2011-11-10
公開日2012-05-23
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (2.45 Å)
主引用文献Structure-Based Rational Design of a Toll-like Receptor 4 (TLR4) Decoy Receptor with High Binding Affinity for a Target Protein.
Plos One, 7, 2012
4FIZ
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BU of 4fiz by Molmil
Crystal structure of the binary complex between a fungal 17beta-hydroxysteroid dehydrogenase (Apo form) and coumestrol
分子名称: 17beta-hydroxysteroid dehydrogenase, CHLORIDE ION, Coumestrol, ...
著者Cassetta, A, Lamba, D, Krastanova, I.
登録日2012-06-11
公開日2013-07-03
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Crystallographic studies on the flavonoid inhibition of a fungal 17beta-hydroxysteroid dehydrogenase
To be Published
4FLC
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BU of 4flc by Molmil
Structural and Biochemical Characterization of Human Adenylosuccinate Lyase (ADSL) and the R303C ADSL Deficiency Associated Mutation
分子名称: Adenylosuccinate lyase
著者Deaton, M.K, Ray, S.P, Capodagli, G.C, Calkins, L.A.F, Sawle, L, Ghosh, K, Patterson, D, Pegan, S.D.
登録日2012-06-14
公開日2012-08-01
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Structural and Biochemical Characterization of Human Adenylosuccinate Lyase (ADSL) and the R303C ADSL Deficiency-Associated Mutation.
Biochemistry, 51, 2012
4FMH
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BU of 4fmh by Molmil
Merkel Cell Polyomavirus VP1 in complex with Disialyllactose
分子名称: CHLORIDE ION, GLYCEROL, N-acetyl-alpha-neuraminic acid-(2-3)-beta-D-galactopyranose, ...
著者Neu, U, Hengel, H, Stehle, T.
登録日2012-06-17
公開日2012-09-05
最終更新日2020-07-29
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献Structures of Merkel Cell Polyomavirus VP1 Complexes Define a Sialic Acid Binding Site Required for Infection.
Plos Pathog., 8, 2012

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