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3F1W
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BU of 3f1w by Molmil
Crystal structure of a mutant proliferating cell nuclear antigen that blocks translesion synthesis
Descriptor: Proliferating cell nuclear antigen
Authors:Freudenthal, B.D, Ramaswamy, S, Washington, M.T.
Deposit date:2008-10-28
Release date:2008-12-23
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.901 Å)
Cite:Structure of a Mutant Form of Proliferating Cell Nuclear Antigen That Blocks Translesion DNA Synthesis.
Biochemistry, 47, 2008
4MRE
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BU of 4mre by Molmil
Crystal structure of the murine CD44 hyaluronan binding domain complex with a small molecule
Descriptor: 3-methylbenzene-1,2-diamine, CD44 antigen, DIMETHYL SULFOXIDE
Authors:Liu, L.K, Finzel, B.
Deposit date:2013-09-17
Release date:2014-04-16
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.58 Å)
Cite:Fragment-Based Identification of an Inducible Binding Site on Cell Surface Receptor CD44 for the Design of Protein-Carbohydrate Interaction Inhibitors.
J.Med.Chem., 57, 2014
4MRD
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BU of 4mrd by Molmil
Crystal structure of the murine cd44 hyaluronan binding domain complex with a small molecule
Descriptor: CD44 antigen, SULFATE ION, beta-D-glucopyranuronic acid-(1-3)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-beta-D-glucopyranuronic acid-(1-3)-2-acetamido-2-deoxy-beta-D-glucopyranose
Authors:Liu, L.K, Finzel, B.
Deposit date:2013-09-17
Release date:2014-04-16
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (2.55 Å)
Cite:Fragment-Based Identification of an Inducible Binding Site on Cell Surface Receptor CD44 for the Design of Protein-Carbohydrate Interaction Inhibitors.
J.Med.Chem., 57, 2014
5OJT
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BU of 5ojt by Molmil
Structure-Activity Relationships and Biological Characterization of a Novel, Potent and Serum Stable C-X-C chemokine receptor type 4 (CXCR4) Antagonist
Descriptor: ACE-ARG-ALA-(D)CYS-ARG-BNA-HIS-PEN
Authors:Brancaccio, D, Carotenuto, A.
Deposit date:2017-07-24
Release date:2017-11-22
Last modified:2023-11-15
Method:SOLUTION NMR
Cite:Structure-Activity Relationships and Biological Characterization of a Novel, Potent, and Serum Stable C-X-C Chemokine Receptor Type 4 (CXCR4) Antagonist.
J. Med. Chem., 60, 2017
5OK9
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BU of 5ok9 by Molmil
CH1 chimera of human 14-3-3 sigma with the HSPB6 phosphopeptide in a conformation with swapped phosphopeptides
Descriptor: 14-3-3 protein sigma,Heat shock protein beta-6, DI(HYDROXYETHYL)ETHER
Authors:Sluchanko, N.N, Tugaeva, K.V, Greive, S.J, Antson, A.A.
Deposit date:2017-07-25
Release date:2017-10-11
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (2.35 Å)
Cite:Chimeric 14-3-3 proteins for unraveling interactions with intrinsically disordered partners.
Sci Rep, 7, 2017
1DWL
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BU of 1dwl by Molmil
The Ferredoxin-Cytochrome complex using heteronuclear NMR and docking simulation
Descriptor: CYTOCHROME C553, FERREDOXIN I, HEME C, ...
Authors:Morelli, X, Guerlesquin, F, Czjzek, M, Palma, P.N.
Deposit date:1999-12-08
Release date:1999-12-10
Last modified:2011-07-13
Method:SOLUTION NMR, THEORETICAL MODEL
Cite:Heteronuclear NMR and Soft Docking: An Experimental Approach for a Structural Model of the Cytochrome C553-Ferredoxin Complex
Biochemistry, 39, 2000
1N1Y
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BU of 1n1y by Molmil
Trypanosoma rangeli sialidase in complex with sialic acid
Descriptor: N-acetyl-alpha-neuraminic acid, Sialidase
Authors:Amaya, M.F, Buschiazzo, A, Nguyen, T, Alzari, P.M.
Deposit date:2002-10-21
Release date:2003-01-07
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:The high resolution structures of free and inhibitor-bound Trypanosoma rangeli sialidase and its comparison with T. cruzi trans-sialidase
J.Mol.Biol., 325, 2003
3D7V
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BU of 3d7v by Molmil
Crystal structure of Mcl-1 in complex with an Mcl-1 selective BH3 ligand
Descriptor: Bcl-2-like protein 11, Induced myeloid leukemia cell differentiation protein Mcl-1, ZINC ION
Authors:Lee, E.F, Czabotar, P.E, Colman, P.M, Fairlie, W.D.
Deposit date:2008-05-22
Release date:2008-06-24
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (2.03 Å)
Cite:A novel BH3 ligand that selectively targets Mcl-1 reveals that apoptosis can proceed without Mcl-1 degradation.
J.Cell Biol., 180, 2008
1N2N
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BU of 1n2n by Molmil
Crystal structure of cyanide complex of the oxygenase domain of inducible nitric oxide synthase.
Descriptor: 5,6,7,8-TETRAHYDROBIOPTERIN, ARGININE, CYANIDE ION, ...
Authors:Fedorov, R, Ghosh, D.K, Schlichting, I.
Deposit date:2002-10-23
Release date:2003-02-11
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Crystal structures of cyanide complexes of P450cam and the oxygenase domain of inducible nitric oxide synthase-structural models of the short-lived oxygen complexes
Arch.Biochem.Biophys., 409, 2003
1N1T
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BU of 1n1t by Molmil
Trypanosoma rangeli sialidase in complex with DANA at 1.6 A
Descriptor: 2-DEOXY-2,3-DEHYDRO-N-ACETYL-NEURAMINIC ACID, SULFATE ION, Sialidase
Authors:Amaya, M.F, Buschiazzo, A, Nguyen, T, Alzari, P.M.
Deposit date:2002-10-20
Release date:2003-01-07
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:The high resolution structures of free and inhibitor-bound Trypanosoma rangeli sialidase and its comparison with T. cruzi trans-sialidase
J.Mol.Biol., 325, 2003
1PL4
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BU of 1pl4 by Molmil
Crystal Structure of human MnSOD Y166F mutant
Descriptor: MANGANESE (II) ION, Superoxide dismutase [Mn], mitochondrial
Authors:Fan, L, Tainer, J.A.
Deposit date:2003-06-06
Release date:2003-12-16
Last modified:2023-08-16
Method:X-RAY DIFFRACTION (1.47 Å)
Cite:Amino acid substitution at the dimeric interface of human manganese superoxide dismutase
J.Biol.Chem., 279, 2004
1PLS
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BU of 1pls by Molmil
SOLUTION STRUCTURE OF A PLECKSTRIN HOMOLOGY DOMAIN
Descriptor: PLECKSTRIN HOMOLOGY DOMAIN
Authors:Yoon, H.S, Hajduk, P.J, Petros, A.M, Olejniczak, E.T, Meadows, R.P, Fesik, S.W.
Deposit date:1994-05-03
Release date:1995-06-03
Last modified:2024-05-01
Method:SOLUTION NMR
Cite:Solution structure of a pleckstrin-homology domain.
Nature, 369, 1994
5OBR
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BU of 5obr by Molmil
Aurora A kinase in complex with 2-(3-chloro-5-fluorophenyl)quinoline-4-carboxylic acid and JNJ-7706621
Descriptor: 2-(3-chloranyl-5-fluoranyl-phenyl)quinoline-4-carboxylic acid, 4-({5-amino-1-[(2,6-difluorophenyl)carbonyl]-1H-1,2,4-triazol-3-yl}amino)benzenesulfonamide, Aurora kinase A, ...
Authors:Rossmann, M, Janecek, M, Hyvonen, M.
Deposit date:2017-06-29
Release date:2017-08-09
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (2.62 Å)
Cite:Computationally-guided optimization of small-molecule inhibitors of the Aurora A kinase-TPX2 protein-protein interaction.
Chem. Commun. (Camb.), 53, 2017
3DQ2
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BU of 3dq2 by Molmil
Structure of the Yellow Fluorescent Protein Citrine Frozen at 4000 Atmospheres Number 1: Structure 23 in a Series of 26 High Pressure Structures
Descriptor: Green fluorescent protein
Authors:Barstow, B, Kim, C.U.
Deposit date:2008-07-09
Release date:2008-09-23
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Alteration of citrine structure by hydrostatic pressure explains the accompanying spectral shift.
Proc.Natl.Acad.Sci.Usa, 105, 2008
3DQC
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BU of 3dqc by Molmil
Structure of the Yellow Fluorescent Protein Citrine Frozen at 1250 Atmospheres Number 3: Structure 13 in a Series of 26 High Pressure Structures
Descriptor: Green fluorescent protein
Authors:Barstow, B, Kim, C.U.
Deposit date:2008-07-09
Release date:2008-09-23
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (1.49 Å)
Cite:Alteration of citrine structure by hydrostatic pressure explains the accompanying spectral shift.
Proc.Natl.Acad.Sci.Usa, 105, 2008
6BM7
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BU of 6bm7 by Molmil
Crystal structure of Trypanosoma brucei AdoMetDC/prozyme heterodimer in complex with pyrimidineamine inhibitor UTSAM568
Descriptor: 1,4-DIAMINOBUTANE, 2-[3-(2-HYDROXY-1,1-DIHYDROXYMETHYL-ETHYLAMINO)-PROPYLAMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 2-amino-4-[(3,5-dibromophenyl)amino]-6-methylpyrimidin-1-ium, ...
Authors:Volkov, O.A, Chen, Z, Phillips, M.A.
Deposit date:2017-11-13
Release date:2018-01-03
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (2.98 Å)
Cite:Species-Selective Pyrimidineamine Inhibitors of Trypanosoma brucei S-Adenosylmethionine Decarboxylase.
J. Med. Chem., 61, 2018
8JLJ
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BU of 8jlj by Molmil
T1AM-bound mTAAR1-Gs protein complex
Descriptor: 4-[4-(2-azanylethyl)-2-iodanyl-phenoxy]phenol, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, Guanine nucleotide-binding protein G(I)/G(S)/G(T) subunit beta-1, ...
Authors:Xu, Z, Guo, L.L, Zhao, C, Shen, S.Y, Sun, J.P, Shao, Z.H.
Deposit date:2023-06-02
Release date:2023-11-15
Last modified:2024-01-03
Method:ELECTRON MICROSCOPY (3.1 Å)
Cite:Ligand recognition and G-protein coupling of trace amine receptor TAAR1.
Nature, 624, 2023
8JLO
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BU of 8jlo by Molmil
Ulotaront(SEP-363856)-bound hTAAR1-Gs protein complex
Descriptor: 1-[(7~{S})-5,7-dihydro-4~{H}-thieno[2,3-c]pyran-7-yl]-~{N}-methyl-methanamine, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, Guanine nucleotide-binding protein G(I)/G(S)/G(T) subunit beta-1, ...
Authors:Xu, Z, Guo, L.L, Zhao, C, Shen, S.Y, Sun, J.P, Shao, Z.H.
Deposit date:2023-06-02
Release date:2023-11-15
Last modified:2024-01-03
Method:ELECTRON MICROSCOPY (3.52 Å)
Cite:Ligand recognition and G-protein coupling of trace amine receptor TAAR1.
Nature, 624, 2023
8JLR
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BU of 8jlr by Molmil
A77636-bound hTAAR1-Gs protein complex
Descriptor: (1~{S},3~{R})-3-(1-adamantyl)-1-(aminomethyl)-3,4-dihydro-1~{H}-isochromene-5,6-diol, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, Guanine nucleotide-binding protein G(I)/G(S)/G(T) subunit beta-1, ...
Authors:Xu, Z, Guo, L.L, Zhao, C, Shen, S.Y, Sun, J.P, Shao, Z.H.
Deposit date:2023-06-02
Release date:2023-11-15
Last modified:2024-01-03
Method:ELECTRON MICROSCOPY (3 Å)
Cite:Ligand recognition and G-protein coupling of trace amine receptor TAAR1.
Nature, 624, 2023
3DQ6
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BU of 3dq6 by Molmil
Structure of the Yellow Fluorescent Protein Citrine Frozen at 1920 Atmospheres Number 2: Structure 18 in a Series of 26 High Pressure Structures
Descriptor: Green fluorescent protein
Authors:Barstow, B, Kim, C.U.
Deposit date:2008-07-09
Release date:2008-09-23
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Alteration of citrine structure by hydrostatic pressure explains the accompanying spectral shift.
Proc.Natl.Acad.Sci.Usa, 105, 2008
3DQL
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BU of 3dql by Molmil
Structure of the Yellow Fluorescent Protein Citrine Frozen at 1000 Atmospheres Number 1: Structure 5 in a Series of 26 High Pressure Structures
Descriptor: Green fluorescent protein
Authors:Barstow, B, Kim, C.U.
Deposit date:2008-07-09
Release date:2008-09-23
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (1.47 Å)
Cite:Alteration of citrine structure by hydrostatic pressure explains the accompanying spectral shift.
Proc.Natl.Acad.Sci.Usa, 105, 2008
1DAJ
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BU of 1daj by Molmil
COMPARISON OF TERNARY COMPLEXES OF PNEUMOCYSTIS CARINII AND WILD TYPE HUMAN DIHYDROFOLATE REDUCTASE WITH COENZYME NADPH AND A NOVEL CLASSICAL ANTITUMOR FURO[2,3D]PYRIMIDINE ANTIFOLATE
Descriptor: DIHYDROFOLATE REDUCTASE, N-[4-[(2,4-DIAMINOFURO[2,3D]PYRIMIDIN-5-YL)METHYL]METHYLAMINO]-BENZOYL]-L-GLUTAMATE, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE
Authors:Cody, V, Galitsky, N, Luft, J.R, Pangborn, W, Gangjee, A, Devraj, R, Queener, S.F, Blakley, R.L.
Deposit date:1997-07-29
Release date:1997-12-24
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Comparison of ternary complexes of Pneumocystis carinii and wild-type human dihydrofolate reductase with coenzyme NADPH and a novel classical antitumor furo[2,3-d]pyrimidine antifolate.
Acta Crystallogr.,Sect.D, 53, 1997
3DQ3
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BU of 3dq3 by Molmil
Structure of the Yellow Fluorescent Protein Citrine Frozen at 2500 Atmospheres: Structure 22 in a Series of 26 High Pressure Structures
Descriptor: Green fluorescent protein
Authors:Barstow, B, Kim, C.U.
Deposit date:2008-07-09
Release date:2008-09-23
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Alteration of citrine structure by hydrostatic pressure explains the accompanying spectral shift.
Proc.Natl.Acad.Sci.Usa, 105, 2008
3DQD
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BU of 3dqd by Molmil
Structure of the Yellow Fluorescent Protein Citrine Frozen at 1250 Atmospheres Number 2: Structure 12 in a Series of 26 High Pressure Structures
Descriptor: Green fluorescent protein
Authors:Barstow, B, Kim, C.U.
Deposit date:2008-07-09
Release date:2008-09-23
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (1.4 Å)
Cite:Alteration of citrine structure by hydrostatic pressure explains the accompanying spectral shift.
Proc.Natl.Acad.Sci.Usa, 105, 2008
5OKC
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BU of 5okc by Molmil
Crystal structure of the Ctf18-1-8 module from Ctf18-RFC
Descriptor: 1,2-ETHANEDIOL, Chromosome transmission fidelity protein 18, Chromosome transmission fidelity protein 8, ...
Authors:Grabarczyk, D.B, Kisker, C.
Deposit date:2017-07-25
Release date:2017-12-20
Last modified:2018-01-10
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Structural Basis for the Recruitment of Ctf18-RFC to the Replisome.
Structure, 26, 2018

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