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3TV2
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BU of 3tv2 by Molmil
Structure of a class II fumarate hydratase from Burkholderia pseudomallei
Descriptor: Fumarate hydratase, class II, SODIUM ION, ...
Authors:Seattle Structural Genomics Center for Infectious Disease (SSGCID)
Deposit date:2011-09-19
Release date:2011-09-28
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Structure of a class II fumarate hydratase from Burkholderia pseudomallei
To be Published
3ALA
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BU of 3ala by Molmil
Crystal structure of vascular adhesion protein-1 in space group C2
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[beta-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Ernberg, K.E, McGrath, A.P, Guss, J.M.
Deposit date:2010-07-29
Release date:2010-12-15
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:A new crystal form of human vascular adhesion protein 1
Acta Crystallogr.,Sect.F, 66, 2010
4EV2
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BU of 4ev2 by Molmil
Crystal structure of copper amine oxidase-1 from Hansenula polymorpha in complex with ethylamine
Descriptor: COPPER (II) ION, ETHANAMINE, GLYCEROL, ...
Authors:Klema, V.J, Solheid, C.J, Wilmot, C.M.
Deposit date:2012-04-25
Release date:2013-03-13
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (2.18 Å)
Cite:Crystal structure of copper amine oxidase-1 from Hansenula polymorpha in complex with ethylamine
To be Published
3TL3
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BU of 3tl3 by Molmil
Structure of a short-chain type dehydrogenase/reductase from Mycobacterium ulcerans
Descriptor: SODIUM ION, Short-chain type dehydrogenase/reductase
Authors:Seattle Structural Genomics Center for Infectious Disease (SSGCID)
Deposit date:2011-08-29
Release date:2011-09-07
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Increasing the structural coverage of tuberculosis drug targets.
Tuberculosis (Edinb), 95, 2015
3ANG
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BU of 3ang by Molmil
Crystal structure of Thermus thermophilus FadR in complex with E. coli-derived dodecyl-CoA
Descriptor: DODECYL-COA, Transcriptional repressor, TetR family
Authors:Agari, Y, Sakamoto, K, Agari, K, Kuramitsu, S, Shinkai, A.
Deposit date:2010-09-01
Release date:2011-03-09
Last modified:2017-10-11
Method:X-RAY DIFFRACTION (2.25 Å)
Cite:TetR-family transcriptional repressor Thermus thermophilus FadR controls fatty acid degradation.
Microbiology, 157, 2011
1O6C
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BU of 1o6c by Molmil
Crystal structure of UDP-N-acetylglucosamine 2-epimerase
Descriptor: UDP-N-acetylglucosamine 2-epimerase
Authors:Structural GenomiX
Deposit date:2003-11-03
Release date:2003-11-25
Last modified:2024-10-30
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:Structural analysis of a set of proteins resulting from a bacterial genomics project
Proteins, 60, 2005
3TVI
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BU of 3tvi by Molmil
Crystal structure of Clostridium acetobutylicum aspartate kinase (CaAK): An important allosteric enzyme for industrial amino acids production
Descriptor: ASPARTIC ACID, Aspartokinase, LYSINE
Authors:Manjasetty, B.A, Chance, M.R, Burley, S.K, Almo, S.C, New York SGX Research Center for Structural Genomics (NYSGXRC)
Deposit date:2011-09-20
Release date:2011-11-09
Last modified:2021-02-10
Method:X-RAY DIFFRACTION (3 Å)
Cite:Crystal structure of Clostridium acetobutylicum Aspartate kinase (CaAK): An important allosteric enzyme for amino acids production.
Biotechnol Rep (Amst), 3, 2014
3A8K
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BU of 3a8k by Molmil
Crystal Structure of ETD97N-EHred complex
Descriptor: Aminomethyltransferase, Glycine cleavage system H protein
Authors:Okamura-Ikeda, K, Hosaka, H.
Deposit date:2009-10-06
Release date:2010-04-07
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Crystal structure of aminomethyltransferase in complex with dihydrolipoyl-H-protein of the glycine cleavage system: implications for recognition of lipoyl protein substrate, disease-related mutations, and reaction mechanism
J.Biol.Chem., 285, 2010
4ORG
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BU of 4org by Molmil
Crystal structure of human Fab CAP256-VRC26.04, a potent V1V2-directed HIV-1 neutralizing antibody
Descriptor: CAP256-VRC26.04 heavy chain, CAP256-VRC26.04 light chain
Authors:Gorman, J, Doria-Rose, N.A, Schramm, C.A, Moore, P.L, Mascola, J.R, Shapiro, L, Morris, L, Kwong, P.D.
Deposit date:2014-02-11
Release date:2014-02-26
Last modified:2023-12-06
Method:X-RAY DIFFRACTION (3.121 Å)
Cite:Developmental pathway for potent V1V2-directed HIV-neutralizing antibodies.
Nature, 509, 2014
3A9Q
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BU of 3a9q by Molmil
Crystal Structure Analysis of E173A variant of the soybean ferritin SFER4
Descriptor: ACETIC ACID, CALCIUM ION, Ferritin-4, ...
Authors:Masuda, T, Goto, F, Yoshihara, T, Mikami, B.
Deposit date:2009-11-05
Release date:2009-12-08
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (1.896 Å)
Cite:Crystal structure of plant ferritin reveals a novel metal binding site that functions as a transit site for metal transfer in ferritin
J.Biol.Chem., 285, 2010
4ZVQ
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BU of 4zvq by Molmil
Caspase-7 Variant 2 (V2) with reprogrammed substrate specificity due to Y230V/W232M/Q276C substitutions bound to VEID inhibitor.
Descriptor: Caspase-7, Peptide ACE-VAL-GLU-ILE-ASA
Authors:Hill, M.E, MacPherson, D.J, Hardy, J.A.
Deposit date:2015-05-18
Release date:2016-04-20
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Reprogramming Caspase-7 Specificity by Regio-Specific Mutations and Selection Provides Alternate Solutions for Substrate Recognition.
Acs Chem.Biol., 11, 2016
4OT7
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BU of 4ot7 by Molmil
X-structure of a variant of NCR from zymomonas mobilis
Descriptor: CHLORIDE ION, FLAVIN MONONUCLEOTIDE, NADH:flavin oxidoreductase/NADH oxidase
Authors:Genz, M, Strater, N.
Deposit date:2014-02-13
Release date:2015-02-18
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Surface Loops Representing Enzyme Modifying Element in the Field of Tuning Enzyme Properties
TO BE PUBLISHED
4ZSR
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BU of 4zsr by Molmil
BACE crystal structure with tricyclic aminothiazine inhibitor
Descriptor: Beta-secretase 1, N-[(4aS,6S,8aR)-2-amino-5,6,7,8-tetrahydro-4a,8a-(methanooxymethano)-3,1-benzothiazin-6(4H)-yl]-3-chlorobenzamide
Authors:Timm, D.E.
Deposit date:2015-05-13
Release date:2015-06-10
Last modified:2024-10-30
Method:X-RAY DIFFRACTION (1.65 Å)
Cite:Preparation and biological evaluation of conformationally constrained BACE1 inhibitors.
Bioorg.Med.Chem., 23, 2015
4EG8
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BU of 4eg8 by Molmil
Trypanosoma brucei methionyl-tRNA synthetase in complex with compound Chem 89
Descriptor: 2-aminoquinolin-8-ol, DIMETHYL SULFOXIDE, GLYCEROL, ...
Authors:Koh, C.Y, Kim, J.E, Shibata, S, Fan, E, Verlinde, C.L.M.J, Hol, W.G.J.
Deposit date:2012-03-30
Release date:2012-09-12
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (2.596 Å)
Cite:Distinct States of Methionyl-tRNA Synthetase Indicate Inhibitor Binding by Conformational Selection.
Structure, 20, 2012
3U8F
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BU of 3u8f by Molmil
Crystal structure of the complex of type I Ribosome inactivating protein in complex with Mycolic acid at 1.8 A resolution
Descriptor: (2R,3R)-2-hexyl-3-hydroxytridecanoic acid, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, GLYCEROL, ...
Authors:Yamini, S, Pandey, S, Sinha, M, Kaur, P, Sharma, S, Singh, T.P.
Deposit date:2011-10-17
Release date:2011-11-16
Last modified:2024-10-30
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Crystal structure of the complex of type I Ribosome inactivating protein in complex with Mycolic acid at 1.8 A resolution
To be Published
3TSU
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BU of 3tsu by Molmil
Crystal structure of E. coli HypF with AMP-PNP and carbamoyl phosphate
Descriptor: ADENOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER, ...
Authors:Petkun, S, Shi, R, Li, Y, Cygler, M.
Deposit date:2011-09-13
Release date:2011-12-28
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.92 Å)
Cite:Structure of Hydrogenase Maturation Protein HypF with Reaction Intermediates Shows Two Active Sites.
Structure, 19, 2011
4ZVU
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BU of 4zvu by Molmil
Caspase-7 wild-type bound to the caspase-6 cognate tetrapeptide inhibitor Ac-VEID-cho
Descriptor: Caspase-7, Tetrapeptide Inhibitor Ac-VEID-CHO
Authors:Hardy, J.A, MacPherson, D.J, Hill, M.E.
Deposit date:2015-05-18
Release date:2016-04-20
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (2.601 Å)
Cite:Reprogramming Caspase-7 Specificity by Regio-Specific Mutations and Selection Provides Alternate Solutions for Substrate Recognition.
Acs Chem.Biol., 11, 2016
3TTC
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BU of 3ttc by Molmil
Crystal structure of E. coli HypF with ADP and carbamoyl phosphate
Descriptor: ADENOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, Transcriptional regulatory protein, ...
Authors:Petkun, S, Shi, R, Li, Y, Cygler, M.
Deposit date:2011-09-14
Release date:2011-12-28
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.86 Å)
Cite:Structure of Hydrogenase Maturation Protein HypF with Reaction Intermediates Shows Two Active Sites.
Structure, 19, 2011
4OYN
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BU of 4oyn by Molmil
Fifteen minutes iron loaded human H ferritin
Descriptor: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, BICINE, CHLORIDE ION, ...
Authors:Pozzi, C, Di Pisa, F, Mangani, S.
Deposit date:2014-02-12
Release date:2015-09-09
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.43 Å)
Cite:Iron binding to human heavy-chain ferritin.
Acta Crystallogr.,Sect.D, 71, 2015
5A13
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BU of 5a13 by Molmil
Crystal structure of Chlorite Dismutase from Magnetospirillum sp. in complex with thiocyanate
Descriptor: CHLORITE DISMUTASE, GLYCEROL, PROTOPORPHYRIN IX CONTAINING FE, ...
Authors:Correia, H.D, Santos-Silva, T.
Deposit date:2015-04-27
Release date:2015-09-02
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:Ligand Binding to Chlorite Dismutase from Magnetospirillum Sp.
J.Phys.Chem.B, 119, 2015
5AKY
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BU of 5aky by Molmil
ligand complex structure of soluble epoxide hydrolase
Descriptor: 3-(2-phenylethyl)-1H-indazole, BIFUNCTIONAL EPOXIDE HYDROLASE 2, DIMETHYL SULFOXIDE, ...
Authors:Oster, L, Tapani, S, Xue, Y, Kack, H.
Deposit date:2015-03-05
Release date:2015-05-13
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.18 Å)
Cite:Successful Generation of Structural Information for Fragment-Based Drug Discovery.
Drug Discov Today, 20, 2015
4EJW
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BU of 4ejw by Molmil
Staphylococcus epidermidis TcaR in complex with streptomycin
Descriptor: STREPTOMYCIN, Transcriptional regulator TcaR
Authors:Chang, Y.M, Chen, C.K.M, Wang, A.H.J.
Deposit date:2012-04-07
Release date:2013-05-08
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Structural analysis of the antibiotic recognition mechanism of MarR family proteins
Acta Crystallogr.,Sect.D, 2013
4OZH
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BU of 4ozh by Molmil
S16 protein complex
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, Gliadin-alpha2 peptide, ...
Authors:Petersen, J, Reid, H.H, Rossjohn, J.
Deposit date:2014-02-16
Release date:2014-04-16
Last modified:2024-10-23
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:T-cell receptor recognition of HLA-DQ2-gliadin complexes associated with celiac disease.
Nat.Struct.Mol.Biol., 21, 2014
5AJI
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BU of 5aji by Molmil
MscS D67R1 high resolution
Descriptor: DECANE, HEXANE, N-OCTANE, ...
Authors:Naismith, J.H, Pliotas, C.
Deposit date:2015-02-24
Release date:2015-07-08
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.99 Å)
Cite:The Role of Lipids in Mechanosensation.
Nat.Struct.Mol.Biol., 22, 2015
4O76
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BU of 4o76 by Molmil
Crystal structure of the first bromodomain of human BRD4 in complex with TG101209
Descriptor: 1,2-ETHANEDIOL, Bromodomain-containing protein 4, N-tert-butyl-3-[(5-methyl-2-{[4-(4-methylpiperazin-1-yl)phenyl]amino}pyrimidin-4-yl)amino]benzenesulfonamide
Authors:Zhu, J.-Y, Ember, S.W, Watts, C, Schonbrunn, E.
Deposit date:2013-12-24
Release date:2014-03-05
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Acetyl-lysine Binding Site of Bromodomain-Containing Protein 4 (BRD4) Interacts with Diverse Kinase Inhibitors.
Acs Chem.Biol., 9, 2014

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