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4EK1
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Crystal Structure of Electron-Spin Labeled Cytochrome P450cam
Descriptor: CAMPHOR, Camphor 5-monooxygenase, POTASSIUM ION, ...
Authors:Lee, Y.-T, Goodin, D.B.
Deposit date:2012-04-08
Release date:2012-07-25
Last modified:2012-08-29
Method:X-RAY DIFFRACTION (1.97 Å)
Cite:Double electron-electron resonance shows cytochrome P450cam undergoes a conformational change in solution upon binding substrate.
Proc.Natl.Acad.Sci.USA, 109, 2012
4EWZ
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BU of 4ewz by Molmil
Human Insulin
Descriptor: CHLORIDE ION, Insulin A chain, Insulin B chain, ...
Authors:Favero-Retto, M.P, Palmieri, L.C, Lima, L.M.T.R.
Deposit date:2012-04-29
Release date:2013-05-01
Last modified:2017-11-15
Method:X-RAY DIFFRACTION (1.791 Å)
Cite:Structural meta-analysis of regular human insulin in pharmaceutical formulations.
Eur J Pharm Biopharm, 85, 2013
4E6Q
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BU of 4e6q by Molmil
JAK2 kinase (JH1 domain) triple mutant in complex with compound 12
Descriptor: 1-(1-benzylpiperidin-4-yl)-1,6-dihydroimidazo[4,5-d]pyrrolo[2,3-b]pyridine, Tyrosine-protein kinase JAK2
Authors:Murray, J.M.
Deposit date:2012-03-15
Release date:2012-05-30
Last modified:2012-07-11
Method:X-RAY DIFFRACTION (1.948 Å)
Cite:Identification of Imidazo-Pyrrolopyridines as Novel and Potent JAK1 Inhibitors.
J.Med.Chem., 55, 2012
4EB0
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BU of 4eb0 by Molmil
Crystal structure of Leaf-branch compost bacterial cutinase homolog
Descriptor: LCC, THIOCYANATE ION
Authors:Sulaiman, S, You, D.J, Eiko, K, Koga, Y, Kanaya, S.
Deposit date:2012-03-23
Release date:2013-03-27
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Crystal structure of Leaf-branch compost bacterial cutinase homolog
To be Published
5ZBB
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BU of 5zbb by Molmil
Crystal structure of Rtt109-Asf1-H3-H4 complex
Descriptor: DI(HYDROXYETHYL)ETHER, DNA damage response protein Rtt109, putative, ...
Authors:Zhang, L, Serra-Cardona, A, Zhou, H, Wang, M, Yang, N, Zhang, Z, Xu, R.M.
Deposit date:2018-02-10
Release date:2018-07-25
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (3.6 Å)
Cite:Multisite Substrate Recognition in Asf1-Dependent Acetylation of Histone H3 K56 by Rtt109.
Cell, 174, 2018
4EJK
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BU of 4ejk by Molmil
HIV Protease (PR) dimer in closed form with pepstatin in active site and fragment 1F1-N in the outside/top of flap
Descriptor: INDOLYLPROPIONIC ACID, Protease, pepstatin
Authors:Tiefenbrunn, T, Stout, C.D.
Deposit date:2012-04-06
Release date:2013-05-01
Last modified:2018-03-07
Method:X-RAY DIFFRACTION (1.794 Å)
Cite:Small molecule regulation of protein conformation by binding in the Flap of HIV protease.
Acs Chem.Biol., 8, 2013
4EMV
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BU of 4emv by Molmil
Crystal structure of a topoisomerase ATP inhibitor
Descriptor: 5-{2-(ethylcarbamoyl)-4-[3-(trifluoromethyl)-1H-pyrazol-1-yl]-1H-pyrrolo[2,3-b]pyridin-5-yl}pyridine-3-carboxylic acid, DNA topoisomerase IV, B subunit
Authors:Boriack-Sjodin, P.A, Manchester, J, Hull, K.
Deposit date:2012-04-12
Release date:2012-08-01
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Discovery of a novel azaindole class of antibacterial agents targeting the ATPase domains of DNA gyrase and Topoisomerase IV.
Bioorg.Med.Chem.Lett., 22, 2012
5YX1
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BU of 5yx1 by Molmil
Crystal structure of hematopoietic prostaglandin D synthase in complex with U004
Descriptor: GLUTATHIONE, GLYCEROL, Hematopoietic prostaglandin D synthase, ...
Authors:Kamo, M, Furubayashi, N, Inaka, K, Aritake, K, Urade, Y, Takaya, D, Tanaka, A.
Deposit date:2017-12-01
Release date:2018-12-05
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.39 Å)
Cite:Crystal structure of hematopoietic prostaglandin D synthase in complex with U004
To Be Published
4FO5
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Crystal structure of a thioredoxin-like protein (BDI_1100) from Parabacteroides distasonis ATCC 8503 at 2.02 A resolution
Descriptor: CHLORIDE ION, thioredoxin-like protein
Authors:Joint Center for Structural Genomics (JCSG)
Deposit date:2012-06-20
Release date:2012-07-04
Last modified:2023-02-01
Method:X-RAY DIFFRACTION (2.02 Å)
Cite:Crystal structure of a thioredoxin-like protein (BDI_1100) from Parabacteroides distasonis ATCC 8503 at 2.02 A resolution
To be published
4FDW
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BU of 4fdw by Molmil
Crystal structure of a putative cell surface protein (BACOVA_01565) from Bacteroides ovatus ATCC 8483 at 2.05 A resolution
Descriptor: CADMIUM ION, CHLORIDE ION, leucine rich hypothetical protein
Authors:Joint Center for Structural Genomics (JCSG)
Deposit date:2012-05-29
Release date:2012-07-25
Last modified:2023-12-06
Method:X-RAY DIFFRACTION (2.05 Å)
Cite:Crystal structure of a leucine rich hypothetical protein (BACOVA_01565) from Bacteroides ovatus ATCC 8483 at 2.05 A resolution
To be published
4F8L
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BU of 4f8l by Molmil
X-ray structure of PsaA from Yersinia pestis, in complex with galactose and AEBSF
Descriptor: 4-(2-AMINOETHYL)BENZENESULFONYL FLUORIDE, BROMIDE ION, GLYCINE, ...
Authors:Bao, R, Esser, L, Xia, D.
Deposit date:2012-05-17
Release date:2013-05-22
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Structural basis for the specific recognition of dual receptors by the homopolymeric pH 6 antigen (Psa) fimbriae of Yersinia pestis.
Proc.Natl.Acad.Sci.USA, 110, 2013
4H6H
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BU of 4h6h by Molmil
Crystal Structure of Staphylococcal Complement Inhibitor SCIN-B(4-85)
Descriptor: Fibrinogen-binding protein
Authors:Garcia, B.L, Geisbrecht, B.V.
Deposit date:2012-09-19
Release date:2012-12-19
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.5024 Å)
Cite:A Structurally Dynamic N-terminal Helix Is a Key Functional Determinant in Staphylococcal Complement Inhibitor (SCIN) Proteins.
J.Biol.Chem., 288, 2013
4GVP
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BU of 4gvp by Molmil
Crystal Structure of the Response Regulator Protein VraR from Staphylococcus aureus
Descriptor: Response regulator protein vraR
Authors:Leonard, P.G, Stock, A.M.
Deposit date:2012-08-31
Release date:2013-05-08
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.03 Å)
Cite:Phosphorylation-dependent conformational changes and domain rearrangements in Staphylococcus aureus VraR activation.
Proc.Natl.Acad.Sci.USA, 110, 2013
4GOA
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BU of 4goa by Molmil
Crystal structure of jack bean urease inhibited with fluoride
Descriptor: FLUORIDE ION, NICKEL (II) ION, Urease
Authors:Balasubramania, A, Ponnuraj, K.
Deposit date:2012-08-19
Release date:2013-08-21
Last modified:2023-12-06
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Crystal structure of jack bean urease inhibited with fluoride
To be Published
5Z0S
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BU of 5z0s by Molmil
Crystal structure of FGFR1 kinase domain in complex with a novel inhibitor
Descriptor: 1-[(6-chloroimidazo[1,2-b]pyridazin-3-yl)sulfonyl]-6-(1-methyl-1H-pyrazol-4-yl)-1H-pyrazolo[4,3-b]pyridine, Fibroblast growth factor receptor 1
Authors:Liu, Q, Xu, Y.
Deposit date:2017-12-20
Release date:2018-12-26
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.45 Å)
Cite:Structure-Based Discovery of a Series of 5H-Pyrrolo[2,3-b]pyrazine FGFR Kinase Inhibitors
Molecules, 23, 2018
5YWZ
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BU of 5ywz by Molmil
AID-SUN tandem of SUN1
Descriptor: SUN domain-containing protein 1
Authors:Xu, Y, Li, W, Feng, W.
Deposit date:2017-11-30
Release date:2018-02-21
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Structural conservation of the autoinhibitory domain in SUN proteins
Biochem. Biophys. Res. Commun., 496, 2018
4FPI
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BU of 4fpi by Molmil
Crystal Structure of 5-chloromuconolactone isomerase from Rhodococcus opacus 1CP
Descriptor: 5-chloromuconolactone dehalogenase
Authors:Ferraroni, M, Kolomytseva, M, Briganti, F, Golovleva, L.A, Scozzafava, A.
Deposit date:2012-06-22
Release date:2013-04-24
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:X-ray crystallographic and molecular docking studies on a unique chloromuconolactone dehalogenase from Rhodococcus opacus 1CP.
J.Struct.Biol., 182, 2013
4F4V
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BU of 4f4v by Molmil
Human Insulin
Descriptor: CHLORIDE ION, Insulin A chain, Insulin B chain, ...
Authors:Favero-Retto, M.P, Palmieri, L.C, Lima, L.M.T.R.
Deposit date:2012-05-11
Release date:2013-05-15
Last modified:2013-12-18
Method:X-RAY DIFFRACTION (1.637 Å)
Cite:Structural meta-analysis of regular human insulin in pharmaceutical formulations.
Eur J Pharm Biopharm, 85, 2013
4F51
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BU of 4f51 by Molmil
Human Insulin
Descriptor: CHLORIDE ION, Insulin A chain, Insulin B chain, ...
Authors:Favero-Retto, M.P, Palmieri, L.C, Lima, L.M.T.R.
Deposit date:2012-05-11
Release date:2013-05-15
Last modified:2013-12-18
Method:X-RAY DIFFRACTION (1.637 Å)
Cite:Structural meta-analysis of regular human insulin in pharmaceutical formulations.
Eur J Pharm Biopharm, 85, 2013
4FB4
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BU of 4fb4 by Molmil
The Structure of an ABC-Transporter Family Protein from Rhodopseudomonas palustris in Complex with Caffeic Acid
Descriptor: CAFFEIC ACID, GLYCEROL, Putative branched-chain amino acid transport system substrate-binding protein
Authors:Cuff, M.E, Mack, J.C, Zerbs, S, Collart, F, Joachimiak, A, Midwest Center for Structural Genomics (MCSG)
Deposit date:2012-05-22
Release date:2012-09-26
Last modified:2017-11-15
Method:X-RAY DIFFRACTION (1.85 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
4FLA
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BU of 4fla by Molmil
Crystal structure of human RPRD1B, carboxy-terminal domain
Descriptor: Regulation of nuclear pre-mRNA domain-containing protein 1B, UNKNOWN ATOM OR ION
Authors:Ni, Z, Xu, C, Tempel, W, El Bakkouri, M, Loppnau, P, Guo, X, Bountra, C, Arrowsmith, C.H, Edwards, A.M, Min, J, Greenblatt, J.F, Structural Genomics Consortium (SGC)
Deposit date:2012-06-14
Release date:2012-08-22
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:RPRD1A and RPRD1B are human RNA polymerase II C-terminal domain scaffolds for Ser5 dephosphorylation.
Nat.Struct.Mol.Biol., 21, 2014
4GT8
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BU of 4gt8 by Molmil
Crystal Structure of the Catalytic and ATP-binding Domain from VraS in Complex with ADP
Descriptor: ADENOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, Sensor protein vraS
Authors:Leonard, P.G, Valverde, J, Stock, A.M.
Deposit date:2012-08-28
Release date:2013-08-28
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.51 Å)
Cite:Structure of the Staphylococcus aureus VraS Catalytic and ATP-binding Domain
To be Published
4H5Q
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BU of 4h5q by Molmil
Crystal Structure of Rift Valley Fever Virus Nucleocapsid Protein Hexamer Bound to Single-stranded DNA
Descriptor: 30-mer poly(T) DNA, Nucleocapsid protein
Authors:Raymond, D.D, Smith, J.L.
Deposit date:2012-09-18
Release date:2012-11-07
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Phleboviruses encapsidate their genomes by sequestering RNA bases.
Proc.Natl.Acad.Sci.USA, 109, 2012
4GN5
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BU of 4gn5 by Molmil
OBody AM3L15 bound to hen egg-white lysozyme
Descriptor: 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, ACETATE ION, GLYCEROL, ...
Authors:Steemson, J.D, Liddament, M.T.
Deposit date:2012-08-16
Release date:2013-08-21
Last modified:2014-02-12
Method:X-RAY DIFFRACTION (1.86 Å)
Cite:Tracking Molecular Recognition at the Atomic Level with a New Protein Scaffold Based on the OB-Fold.
Plos One, 9, 2014
4GN4
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BU of 4gn4 by Molmil
OBody AM2EP06 bound to hen egg-white lysozyme
Descriptor: GLYCEROL, Lysozyme C, OBody AM2EP06
Authors:Steemson, J.D, Liddament, M.T.
Deposit date:2012-08-16
Release date:2013-08-21
Last modified:2014-02-12
Method:X-RAY DIFFRACTION (1.861 Å)
Cite:Tracking Molecular Recognition at the Atomic Level with a New Protein Scaffold Based on the OB-Fold.
Plos One, 9, 2014

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