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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
Descriptor: FE (III) ION, P-HYDROXYBENZOIC ACID, PROTOCATECHUATE 3,4-DIOXYGENASE ALPHA CHAIN, ...
Authors:Vetting, M.W, Valley, M.P, D'Argenio, D.A, Ornston, L.N, Lipscomb, J.D, Ohlendorf, D.H.
Deposit date:2005-06-17
Release date:2006-09-05
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (1.8 Å)
Cite: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
Descriptor: CARBONMONOXIDE-(DICYANO) IRON, CHLORIDE ION, DODECYL-BETA-D-MALTOSIDE, ...
Authors:Volbeda, A, Fontecilla-Camps, J.C, Darnault, C.
Deposit date:2011-11-23
Release date:2012-03-28
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (2 Å)
Cite: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
Descriptor: 6-O-phosphono-beta-D-mannopyranose, CITRIC ACID, Hexokinase-1, ...
Authors:Shen, L, Honzatko, R.B.
Deposit date:2012-06-20
Release date:2013-07-03
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.7 Å)
Cite: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
Descriptor: Arsenic methyltransferase, S-ADENOSYLMETHIONINE
Authors:Ajees, A.A, Marapakala, K, Packianathan, C, Sankaran, B, Rosen, B.P.
Deposit date:2012-06-26
Release date:2012-07-11
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (2.75 Å)
Cite: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
Descriptor: MAGNESIUM ION, Protein phosphatase 2C 16, SULFATE ION, ...
Authors: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.
Deposit date:2011-11-07
Release date:2012-02-15
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.6 Å)
Cite: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
Descriptor: ACETATE ION, CHLORIDE ION, Metallo-beta-lactamase VIM-31, ...
Authors:Herzog, K, Hoffmann, K.M.
Deposit date:2012-06-26
Release date:2013-06-26
Last modified:2023-12-06
Method:X-RAY DIFFRACTION (1.61 Å)
Cite: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
Descriptor: 2-(2-(2-(2-(2-(2-ETHOXYETHOXY)ETHOXY)ETHOXY)ETHOXY)ETHOXY)ETHANOL, bromodomain of human nucleosome-remodeling factor subunit BPTF
Authors: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)
Deposit date:2011-11-29
Release date:2012-01-18
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (1.58 Å)
Cite: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
Descriptor: Beta-lactamase, DI(HYDROXYETHYL)ETHER
Authors:Lu, S, Neetu, N, Palzkill, T.
Deposit date:2022-09-23
Release date:2023-04-05
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (1.5 Å)
Cite: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
Descriptor: (4R,4'S)-4,4'-diphenyl-4,4'-biimidazolidine-2,2',5,5'-tetrone, 1,2-ETHANEDIOL, CALCIUM ION, ...
Authors:Derbyshire, D.J, Danielson, H, Nystrum, S.
Deposit date:2011-11-29
Release date:2013-01-02
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (1.3 Å)
Cite: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
Descriptor: CALCIUM ION, GLYCEROL, Poly(A) RNA polymerase protein cid1, ...
Authors:Lunde, B.M, Magler, I, Meinhart, A.
Deposit date:2012-06-06
Release date:2012-08-29
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (2.5 Å)
Cite: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
Descriptor: DI(HYDROXYETHYL)ETHER, Histo-blood group ABO system transferase, URIDINE-5'-DIPHOSPHATE, ...
Authors:Johal, A.R, Alfaro, J.A, Blackler, R.J, Schuman, B, Borisova, S.N, Evans, S.V.
Deposit date:2012-06-26
Release date:2013-12-25
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (1.85 Å)
Cite: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
Descriptor: 1,2-ETHANEDIOL, ADENOSINE MONOPHOSPHATE, CHLORIDE ION, ...
Authors:Seattle Structural Genomics Center for Infectious Disease (SSGCID)
Deposit date:2011-11-08
Release date:2011-11-16
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.25 Å)
Cite: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
Descriptor: Histo-blood group ABO system transferase, URIDINE-5'-DIPHOSPHATE, beta-D-galactopyranose
Authors:Johal, A.R, Alfaro, J.A, Blackler, R.J, Schuman, B, Borisova, S.N, Evans, S.V.
Deposit date:2012-06-26
Release date:2013-12-25
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (1.9 Å)
Cite: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
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
Descriptor: 3-[5-(3,5-dichloro-4-hydroxyphenyl)-1,3,4-oxadiazol-2-yl]benzenesulfonyl fluoride, Transthyretin
Authors:Connelly, S, Grimster, N, Wilson, I.A, Kelly, J.W.
Deposit date:2012-06-08
Release date:2013-02-20
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (1.402 Å)
Cite:Aromatic Sulfonyl Fluorides Covalently Kinetically Stabilize Transthyretin to Prevent Amyloidogenesis while Affording a Fluorescent Conjugate.
J.Am.Chem.Soc., 135, 2013
3UKJ
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BU of 3ukj by Molmil
Crystal structure of extracellular ligand-binding receptor from Rhodopseudomonas palustris HaA2
Descriptor: 3-(4-HYDROXY-PHENYL)PYRUVIC ACID, Extracellular ligand-binding receptor, GLYCEROL, ...
Authors:Chang, C, Mack, J, Zerbs, S, Collart, F, Joachimiak, A, Midwest Center for Structural Genomics (MCSG)
Deposit date:2011-11-09
Release date:2011-11-23
Last modified:2013-09-25
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Structural and functional characterization of solute binding proteins for aromatic compounds derived from lignin: p-Coumaric acid and related aromatic acids.
Proteins, 81, 2013
4FKL
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BU of 4fkl by Molmil
Crystal structure of the cdk2 in complex with thiazolylpyrimidine inhibitor
Descriptor: 4-(2,4-DIMETHYL-1,3-THIAZOL-5-YL)PYRIMIDIN-2-AMINE, Cyclin-dependent kinase 2
Authors:Kang, Y.N, Stuckey, J.A.
Deposit date:2012-06-13
Release date:2013-05-08
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (1.26 Å)
Cite:Crystal structure of the cdk2 in complex with thiazolylpyrimidine inhibitor
To be Published
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)
Descriptor: 1,2-ETHANEDIOL, Bromodomain-containing protein 4, Histone H4
Authors: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)
Deposit date:2011-11-30
Release date:2012-01-18
Last modified:2023-12-06
Method:X-RAY DIFFRACTION (1.37 Å)
Cite:Histone recognition and large-scale structural analysis of the human bromodomain family.
Cell(Cambridge,Mass.), 149, 2012
4FII
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BU of 4fii by Molmil
Catalytic domain of human PAK4 with RPKPLVDP peptide
Descriptor: Serine/threonine-protein kinase PAK 4
Authors:Ha, B.H, Boggon, T.J.
Deposit date:2012-06-08
Release date:2012-09-12
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (2 Å)
Cite:Type II p21-activated kinases (PAKs) are regulated by an autoinhibitory pseudosubstrate.
Proc.Natl.Acad.Sci.USA, 109, 2012
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)
Descriptor: Bromodomain-containing protein 4, histone 4 peptide (H4K8acK12ac)
Authors: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)
Deposit date:2011-12-01
Release date:2012-03-14
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Histone recognition and large-scale structural analysis of the human bromodomain family.
Cell(Cambridge,Mass.), 149, 2012
8EUN
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BU of 8eun by Molmil
MicroED structure of an Aeropyrum pernix protoglobin metallo-carbene complex
Descriptor: 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
Authors:Danelius, E, Gonen, T, Unge, J.T.
Deposit date:2022-10-19
Release date:2023-04-05
Last modified:2024-05-22
Method:ELECTRON CRYSTALLOGRAPHY (2.5 Å)
Cite:MicroED Structure of a Protoglobin Reactive Carbene Intermediate.
J.Am.Chem.Soc., 145, 2023
4WH4
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BU of 4wh4 by Molmil
Protein GB1 Quadruple Mutant I6H/N8H/K28H/Q32H
Descriptor: GLYCEROL, Immunoglobulin G-binding protein G, SULFATE ION
Authors:Cunningham, T.C, Horne, W.S, Saxena, S.
Deposit date:2014-09-19
Release date:2015-08-05
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.2 Å)
Cite: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
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
Descriptor: 17beta-hydroxysteroid dehydrogenase, CHLORIDE ION, Coumestrol, ...
Authors:Cassetta, A, Lamba, D, Krastanova, I.
Deposit date:2012-06-11
Release date:2013-07-03
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Crystallographic studies on the flavonoid inhibition of a fungal 17beta-hydroxysteroid dehydrogenase
To be Published
3UL9
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BU of 3ul9 by Molmil
structure of the TV3 mutant M41E
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, SULFATE ION, Toll-like receptor 4, ...
Authors:Kim, H.J, Cheong, H.K, Jeon, Y.H.
Deposit date:2011-11-10
Release date:2012-05-23
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (2.45 Å)
Cite: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
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
Descriptor: Adenylosuccinate lyase
Authors:Deaton, M.K, Ray, S.P, Capodagli, G.C, Calkins, L.A.F, Sawle, L, Ghosh, K, Patterson, D, Pegan, S.D.
Deposit date:2012-06-14
Release date:2012-08-01
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (2.6 Å)
Cite: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
Descriptor: CHLORIDE ION, GLYCEROL, N-acetyl-alpha-neuraminic acid-(2-3)-beta-D-galactopyranose, ...
Authors:Neu, U, Hengel, H, Stehle, T.
Deposit date:2012-06-17
Release date:2012-09-05
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Structures of Merkel Cell Polyomavirus VP1 Complexes Define a Sialic Acid Binding Site Required for Infection.
Plos Pathog., 8, 2012

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