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1FKW
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BU of 1fkw by Molmil
MURINE ADENOSINE DEAMINASE (D295E)
Descriptor: ADENOSINE DEAMINASE, PURINE RIBOSIDE, ZINC ION
Authors:Wilson, D.K, Quiocho, F.A.
Deposit date:1996-02-29
Release date:1996-08-01
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Probing the functional role of two conserved active site aspartates in mouse adenosine deaminase.
Biochemistry, 35, 1996
7ZPS
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BU of 7zps by Molmil
Cytochrome c prime beta from Methylococcus capsulatus (Bath): NO complex
Descriptor: Cytochrome c, GLYCEROL, HEME C, ...
Authors:Adams, H.R, Hough, M.A.
Deposit date:2022-04-28
Release date:2023-05-10
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (1.56 Å)
Cite:A heme pocket aromatic quadrupole modulates gas binding to cytochrome c'-beta : Implications for NO sensors.
J.Biol.Chem., 299, 2023
6PQA
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BU of 6pqa by Molmil
GAVVGG segment 119-124 from human prion
Descriptor: Major prion protein
Authors:Apostol, M.I, Sawaya, M.R, Eisenberg, D.
Deposit date:2019-07-08
Release date:2020-04-15
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (1.46 Å)
Cite:Cryo-EM structure of a human prion fibril with a hydrophobic, protease-resistant core.
Nat.Struct.Mol.Biol., 27, 2020
1FKX
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BU of 1fkx by Molmil
MURINE ADENOSINE DEAMINASE (D296A)
Descriptor: 6-HYDROXY-1,6-DIHYDRO PURINE NUCLEOSIDE, ADENOSINE DEAMINASE, ZINC ION
Authors:Wilson, D.K, Quiocho, F.A.
Deposit date:1996-02-29
Release date:1996-08-01
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Probing the functional role of two conserved active site aspartates in mouse adenosine deaminase.
Biochemistry, 35, 1996
4EFR
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BU of 4efr by Molmil
Bombyx mori lipoprotein 7 (crystal form II) at 2.50 A resolution
Descriptor: 30kDa protein, THIOCYANATE ION
Authors:Pietrzyk, A.J, Panjikar, S, Bujacz, A, Mueller-Dieckmann, J, Jaskolski, M, Bujacz, G.
Deposit date:2012-03-30
Release date:2012-08-29
Last modified:2023-12-06
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:High-resolution structure of Bombyx mori lipoprotein 7: crystallographic determination of the identity of the protein and its potential role in detoxification.
Acta Crystallogr.,Sect.D, 68, 2012
6PIX
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BU of 6pix by Molmil
Crystal structure of HCV NS3/4A D168A protease in complex with P4-P5-5 (WK-25)
Descriptor: 1,2-ETHANEDIOL, NS3/4A protease, SULFATE ION, ...
Authors:Zephyr, J, Schiffer, C.A.
Deposit date:2019-06-27
Release date:2020-03-04
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.87 Å)
Cite:Avoiding Drug Resistance by Substrate Envelope-Guided Design: Toward Potent and Robust HCV NS3/4A Protease Inhibitors.
Mbio, 11, 2020
4ENF
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BU of 4enf by Molmil
Crystal structure of the cap-binding domain of polymerase basic protein 2 from influenza virus A/Puerto Rico/8/34(h1n1)
Descriptor: 1,4-BUTANEDIOL, NITRATE ION, Polymerase basic protein 2
Authors:Meng, G, Liu, Y, Zheng, X.
Deposit date:2012-04-13
Release date:2013-03-06
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (1.32 Å)
Cite:Structural and functional characterization of K339T substitution identified in the PB2 subunit cap-binding pocket of influenza A virus
J.Biol.Chem., 288, 2013
6NZY
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BU of 6nzy by Molmil
Structural Determination of the Carboxy-terminal portion of ATP-citrate lyase
Descriptor: ACETYL COENZYME *A, ATP-citrate lyase alpha-subunit, GLYCEROL, ...
Authors:Nguyen, V.H, Fraser, M.E.
Deposit date:2019-02-14
Release date:2019-12-18
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Identification of the active site residues in ATP-citrate lyase's carboxy-terminal portion.
Protein Sci., 28, 2019
4DEL
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BU of 4del by Molmil
Active site loop dynamics of a class IIa fructose 1,6-bisphosphate aldolase from M. tuberculosis
Descriptor: ACETATE ION, Fructose-bisphosphate aldolase, HEXAETHYLENE GLYCOL, ...
Authors:Pegan, S.D, Mesecar, A.D.
Deposit date:2012-01-20
Release date:2013-01-23
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (1.58 Å)
Cite:Active site loop dynamics of a class IIa fructose 1,6-bisphosphate aldolase from Mycobacterium tuberculosis.
Biochemistry, 52, 2013
6OVN
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BU of 6ovn by Molmil
Crystal structure of the unliganded Clone 2 TCR
Descriptor: Alpha chain Clone 2 TCR, Beta chain Clone 2 TCR, CHLORIDE ION, ...
Authors:Shahine, A, Rossjohn, J.
Deposit date:2019-05-08
Release date:2019-11-20
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.77 Å)
Cite:A TCR beta-Chain Motif Biases toward Recognition of Human CD1 Proteins.
J Immunol., 203, 2019
1TVR
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BU of 1tvr by Molmil
HIV-1 RT/9-CL TIBO
Descriptor: 4-CHLORO-8-METHYL-7-(3-METHYL-BUT-2-ENYL)-6,7,8,9-TETRAHYDRO-2H-2,7,9A-TRIAZA-BENZO[CD]AZULENE-1-THIONE, REVERSE TRANSCRIPTASE
Authors:Das, K, Ding, J, Hsiou, Y, Arnold, E.
Deposit date:1996-04-16
Release date:1997-03-12
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (3 Å)
Cite:Crystal structures of 8-Cl and 9-Cl TIBO complexed with wild-type HIV-1 RT and 8-Cl TIBO complexed with the Tyr181Cys HIV-1 RT drug-resistant mutant.
J.Mol.Biol., 264, 1996
1UCY
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BU of 1ucy by Molmil
THROMBIN COMPLEXED WITH FIBRINOPEPTIDE A ALPHA (RESIDUES 7-19). THREE COMPLEXES, ONE WITH EPSILON-THROMBIN AND TWO WITH ALPHA-THROMBIN
Descriptor: FIBRINOPEPTIDE A-ALPHA, THROMBIN
Authors:Martin, P, Edwards, B.
Deposit date:1996-08-30
Release date:1997-02-12
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Bovine thrombin complexed with an uncleavable analog of residues 7-19 of fibrinogen A alpha: geometry of the catalytic triad and interactions of the P1', P2', and P3' substrate residues.
Biochemistry, 35, 1996
4DRO
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BU of 4dro by Molmil
EVALUATION OF SYNTHETIC FK506 ANALOGS AS LIGANDS FOR FKBP51 AND FKBP52: COMPLEX OF FKBP51 WITH (1R)-3-(3,4-dimethoxyphenyl)-1-phenylpropyl (2S)-1-{[(1R,2S)-2-ethyl-1-hydroxycyclohexyl](oxo)acetyl}piperidine-2-carboxylate
Descriptor: Peptidyl-prolyl cis-trans isomerase FKBP5, {3-[(1R)-3-(3,4-dimethoxyphenyl)-1-({[(2S)-1-{[(1R,2S)-2-ethyl-1-hydroxycyclohexyl](oxo)acetyl}piperidin-2-yl]carbonyl}oxy)propyl]phenoxy}acetic acid
Authors:Gopalakrishnan, R, Kozany, C, Gaali, S, Kress, C, Hoogeland, B, Bracher, A, Hausch, F.
Deposit date:2012-02-17
Release date:2012-05-16
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (1.1 Å)
Cite:Evaluation of Synthetic FK506 Analogues as Ligands for the FK506-Binding Proteins 51 and 52.
J.Med.Chem., 55, 2012
6PYV
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BU of 6pyv by Molmil
Crystal Structure of HLA-B*2703-P47G in complex with LRN, a self-peptide
Descriptor: Beta-2-microglobulin, HLA class I histocompatibility antigen, B-2703 alpha chain, ...
Authors:Gras, S.
Deposit date:2019-07-31
Release date:2019-11-27
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.45 Å)
Cite:Allelic association with ankylosing spondylitis fails to correlate with human leukocyte antigen B27 homodimer formation.
J.Biol.Chem., 294, 2019
6Q00
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BU of 6q00 by Molmil
TDP2 UBA Domain Bound to Ubiquitin at 0.85 Angstroms Resolution, Crystal Form 1
Descriptor: POTASSIUM ION, Tyrosyl-DNA phosphodiesterase 2, Ubiquitin
Authors:Schellenberg, M.J, Krahn, J.M, Williams, R.S.
Deposit date:2019-08-01
Release date:2020-04-29
Last modified:2020-06-24
Method:X-RAY DIFFRACTION (0.85 Å)
Cite:Ubiquitin stimulated reversal of topoisomerase 2 DNA-protein crosslinks by TDP2.
Nucleic Acids Res., 48, 2020
8A3Q
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BU of 8a3q by Molmil
Human Plasma Kallekrein in complex with 14W
Descriptor: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 2-acetamido-2-deoxy-beta-D-glucopyranose, Plasma kallikrein, ...
Authors:McEwan, P.A.
Deposit date:2022-06-08
Release date:2022-11-02
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.801 Å)
Cite:Sebetralstat (KVD900): A Potent and Selective Small Molecule Plasma Kallikrein Inhibitor Featuring a Novel P1 Group as a Potential Oral On-Demand Treatment for Hereditary Angioedema.
J.Med.Chem., 65, 2022
6PYJ
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BU of 6pyj by Molmil
Crystal Structure of HLA-B*2705 in complex with LRN, a self-peptide
Descriptor: Beta-2-microglobulin, HLA class I histocompatibility antigen, B-27 alpha chain, ...
Authors:Gras, S.
Deposit date:2019-07-30
Release date:2019-12-04
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.44 Å)
Cite:Allelic association with ankylosing spondylitis fails to correlate with human leukocyte antigen B27 homodimer formation.
J.Biol.Chem., 294, 2019
3NYS
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BU of 3nys by Molmil
X-ray structure of the K185A mutant of WbpE (WlbE) from pseudomonas aeruginosa in complex with PLP at 1.45 angstrom resolution
Descriptor: Aminotransferase WbpE, PYRIDOXAL-5'-PHOSPHATE, SODIUM ION
Authors:Holden, H.M, Thoden, J.B.
Deposit date:2010-07-15
Release date:2010-07-28
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (1.45 Å)
Cite:Structural investigation on WlaRG from Campylobacter jejuni: A sugar aminotransferase.
Protein Sci., 26, 2017
6PSN
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BU of 6psn by Molmil
Anthrax toxin protective antigen channels bound to lethal factor
Descriptor: CALCIUM ION, Lethal factor, Protective antigen
Authors:Hardenbrook, N.J, Liu, S, Zhou, K, Zhou, Z.H, Krantz, B.A.
Deposit date:2019-07-12
Release date:2020-03-04
Last modified:2024-03-20
Method:ELECTRON MICROSCOPY (4.6 Å)
Cite:Atomic structures of anthrax toxin protective antigen channels bound to partially unfolded lethal and edema factors.
Nat Commun, 11, 2020
7ZFM
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BU of 7zfm by Molmil
Engineered Protein Targeting the Zika Viral Envelope Fusion Loop
Descriptor: 1,2-ETHANEDIOL, ACETIC ACID, HEXAETHYLENE GLYCOL, ...
Authors:Athayde, D, Archer, M, Viana, I.F.T, Adan, W.C.S, Xavier, L.S.S, Lins, R.D.
Deposit date:2022-04-01
Release date:2022-08-17
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.711 Å)
Cite:In Vitro Neutralisation of Zika Virus by an Engineered Protein Targeting the Viral Envelope Fusion Loop
SSRN, 2022
4EON
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BU of 4eon by Molmil
Thr 160 phosphorylated CDK2 H84S, Q85M, Q131E - human cyclin A3 complex with the inhibitor RO3306
Descriptor: (5E)-5-(quinolin-6-ylmethylidene)-2-[(thiophen-2-ylmethyl)amino]-1,3-thiazol-4(5H)-one, Cyclin-A2, Cyclin-dependent kinase 2, ...
Authors:Echalier, A, Cot, E, Camasses, A, Hodimont, E, Hoh, F, Sheinerman, F, Krasinska, L, Fisher, D.
Deposit date:2012-04-14
Release date:2013-02-06
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:An integrated chemical biology approach provides insight into Cdk2 functional redundancy and inhibitor sensitivity.
Chem.Biol., 19, 2012
4EOR
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BU of 4eor by Molmil
Thr 160 phosphorylated CDK2 WT - human cyclin A3 complex with the inhibitor NU6102
Descriptor: Cyclin-A2, Cyclin-dependent kinase 2, O6-CYCLOHEXYLMETHOXY-2-(4'-SULPHAMOYLANILINO) PURINE
Authors:Echalier, A, Cot, E, Camasses, A, Hodimont, E, Hoh, F, Sheinerman, F, Krasinska, L, Fisher, D.
Deposit date:2012-04-14
Release date:2013-02-06
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:An integrated chemical biology approach provides insight into Cdk2 functional redundancy and inhibitor sensitivity.
Chem.Biol., 19, 2012
4EB6
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BU of 4eb6 by Molmil
Tubulin-Vinblastine: Stathmin-like complex
Descriptor: (2ALPHA,2'BETA,3BETA,4ALPHA,5BETA)-VINCALEUKOBLASTINE, GUANOSINE-5'-DIPHOSPHATE, GUANOSINE-5'-TRIPHOSPHATE, ...
Authors:Ranaivoson, F.M, Gigant, B, Knossow, M.
Deposit date:2012-03-23
Release date:2012-08-01
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (3.47 Å)
Cite:Structural plasticity of tubulin assembly probed by vinca-domain ligands.
Acta Crystallogr.,Sect.D, 68, 2012
4E40
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BU of 4e40 by Molmil
The haptoglobin-hemoglobin receptor of Trypanosoma congolense
Descriptor: Putative uncharacterized protein
Authors:Higgins, M.K, Tkachenko, O, Brown, A, Reed, J, Carrington, M.
Deposit date:2012-03-11
Release date:2013-01-16
Last modified:2013-02-13
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Structure of the trypanosome haptoglobin-hemoglobin receptor and implications for nutrient uptake and innate immunity.
Proc.Natl.Acad.Sci.USA, 110, 2013
6OUC
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BU of 6ouc by Molmil
Asymmetric focsued reconstruction of human norovirus GII.2 Snow Mountain Virus strain VLP asymmetric unit in T=1 symmetry
Descriptor: Viral protein 1, ZINC ION
Authors:Jung, J, Grant, T, Thomas, D.R, Diehnelt, C.W, Grigorieff, N, Joshua-Tor, L.
Deposit date:2019-05-04
Release date:2019-06-26
Last modified:2024-03-20
Method:ELECTRON MICROSCOPY (2.8 Å)
Cite:High-resolution cryo-EM structures of outbreak strain human norovirus shells reveal size variations.
Proc.Natl.Acad.Sci.USA, 116, 2019

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