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6QCD
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BU of 6qcd by Molmil
Human Sirt6 in complex with ADP-ribose and the activator quercetin
Descriptor: 1,2-ETHANEDIOL, 3,5,7,3',4'-PENTAHYDROXYFLAVONE, NAD-dependent protein deacetylase sirtuin-6, ...
Authors:You, W, Steegborn, C.
Deposit date:2018-12-27
Release date:2019-12-25
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.84 Å)
Cite:Structural basis for the activation and inhibition of Sirtuin 6 by quercetin and its derivatives.
Sci Rep, 9, 2019
6QCB
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BU of 6qcb by Molmil
Crystal structure of human cathepsin D in complex with macrocyclic inhibitor 9
Descriptor: (3~{S},7~{S},8~{S})-7-oxidanyl-8-(phenylmethyl)-3-propan-2-yl-1,4,9-triazacyclohenicosane-2,5,10-trione, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Cathepsin D, ...
Authors:Brynda, J, Houstecka, R, Majer, P, Mares, M.
Deposit date:2018-12-27
Release date:2020-01-29
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.55 Å)
Cite:Biomimetic Macrocyclic Inhibitors of Human Cathepsin D: Structure-Activity Relationship and Binding Mode Analysis.
J.Med.Chem., 63, 2020
6K5Q
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BU of 6k5q by Molmil
Crystal structure of lysozyme complexed with a bioactive compound from Jatropha gossypiifolia
Descriptor: ACETATE ION, GLYCEROL, Lysozyme C, ...
Authors:Kanal Elamparithi, B, Ankur, T, Sivakumar, M, Gunasekaran, K.
Deposit date:2019-05-30
Release date:2020-05-27
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.177 Å)
Cite:Crystal structure of lysozyme complexed with a bioactive compound from Jatropha gossypiifolia
To Be Published
6KEC
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BU of 6kec by Molmil
Crystal structure of BRD4 bromodomain 1 (BD1) in complex with 4-ethoxy-5,16-dimethoxy-11-methyl-2-oxa-11-azatetracyclo[8.6.1.03,8.013,17]heptadeca-1(17),3,5,7,9,13,15-heptaen-12-one
Descriptor: 4-ethoxy-5,16-dimethoxy-11-methyl-2-oxa-11-azatetracyclo[8.6.1.03,8.013,17]heptadeca-1(17),3,5,7,9,13,15-heptaen-12-one, Bromodomain-containing protein 4, FORMIC ACID
Authors:Lee, B.I, Park, T.H.
Deposit date:2019-07-04
Release date:2020-07-08
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.35 Å)
Cite:Synthesis and Structure-Activity Relationships of Aristoyagonine Derivatives as Brd4 Bromodomain Inhibitors with X-ray Co-Crystal Research.
Molecules, 26, 2021
6QCT
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BU of 6qct by Molmil
Influenza B polymerase elongation complex
Descriptor: 3 end, 5 end, MAGNESIUM ION, ...
Authors:Cusack, S, Kouba, T.
Deposit date:2018-12-30
Release date:2019-06-05
Last modified:2024-05-15
Method:ELECTRON MICROSCOPY (3.2 Å)
Cite:Structural snapshots of actively transcribing influenza polymerase.
Nat.Struct.Mol.Biol., 26, 2019
4V4U
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BU of 4v4u by Molmil
The quasi-atomic model of Human Adenovirus type 5 capsid
Descriptor: HEXON PROTEIN, N-TERMINAL PEPTIDE OF FIBER PROTEIN, PENTON PROTEIN
Authors:Fabry, C.M.S, Rosa-Calatrava, M, Conway, J.F, Zubieta, C, Cusack, S, Ruigrok, R.W.H, Schoehn, G.
Deposit date:2005-03-03
Release date:2014-07-09
Last modified:2024-05-08
Method:ELECTRON MICROSCOPY (10 Å)
Cite:A Quasi-Atomic Model of Human Adenovirus Type 5 Capsid.
Embo J., 24, 2005
6QCE
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BU of 6qce by Molmil
Human Sirt6 in complex with ADP-ribose and the activator isoquercetin
Descriptor: 1,2-ETHANEDIOL, NAD-dependent protein deacetylase sirtuin-6, SULFATE ION, ...
Authors:You, W, Steegborn, C.
Deposit date:2018-12-27
Release date:2019-12-25
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Structural basis for the activation and inhibition of Sirtuin 6 by quercetin and its derivatives.
Sci Rep, 9, 2019
6QCH
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BU of 6qch by Molmil
Human Sirt6 in complex with ADP-ribose and the activator cyanidin
Descriptor: 1,2-ETHANEDIOL, NAD-dependent protein deacetylase sirtuin-6, SULFATE ION, ...
Authors:You, W, Steegborn, C.
Deposit date:2018-12-28
Release date:2019-12-25
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Structural basis for the activation and inhibition of Sirtuin 6 by quercetin and its derivatives.
Sci Rep, 9, 2019
1D90
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BU of 1d90 by Molmil
REFINED CRYSTAL STRUCTURE OF AN OCTANUCLEOTIDE DUPLEX WITH I.T MISMATCHED BASE PAIRS
Descriptor: DNA (5'-D(*GP*GP*IP*GP*CP*TP*CP*C)-3')
Authors:Cruse, W.B.T, Aymani, J, Kennard, O, Brown, T, Jack, A.G.C, Leonard, G.A.
Deposit date:1992-10-17
Release date:1993-07-15
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Refined crystal structure of an octanucleotide duplex with I.T. mismatched base pairs.
Nucleic Acids Res., 17, 1989
6K7K
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BU of 6k7k by Molmil
Cryo-EM structure of the human P4-type flippase ATP8A1-CDC50 (E1-ADP-Pi state)
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, ADENOSINE-5'-DIPHOSPHATE, CHOLESTEROL HEMISUCCINATE, ...
Authors:Hiraizumi, M, Yamashita, K, Nishizawa, T, Nureki, O.
Deposit date:2019-06-07
Release date:2019-08-28
Last modified:2021-02-10
Method:ELECTRON MICROSCOPY (3.04 Å)
Cite:Cryo-EM structures capture the transport cycle of the P4-ATPase flippase.
Science, 365, 2019
4V7N
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BU of 4v7n by Molmil
Glycocyamine kinase, beta-beta homodimer from marine worm Namalycastis sp., with transition state analog Mg(II)-ADP-NO3-glycocyamine.
Descriptor: ADENOSINE-5'-DIPHOSPHATE, GUANIDINO ACETATE, Glycocyamine kinase beta chain, ...
Authors:Lim, K, Pullalarevu, S, Herzberg, O.
Deposit date:2009-12-15
Release date:2014-07-09
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Structural basis for the mechanism and substrate specificity of glycocyamine kinase, a phosphagen kinase family member.
Biochemistry, 49, 2010
6KGA
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BU of 6kga by Molmil
Structure of Ovalbumin from Emu (Dromaius novaehollandiae)
Descriptor: Ovalbumin
Authors:Yasutake, Y, Maehashi, K, Matano, M, Takeuchi, J.
Deposit date:2019-07-11
Release date:2019-07-24
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (3.3 Å)
Cite:Structure of Emu (Dromaius novaehollandiae) ovalbumin revealed alpha-1-antitrypsin-like domain-swapped trimer.
To Be Published
6K7X
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BU of 6k7x by Molmil
Human MCU-EMRE complex
Descriptor: (9R,11S)-9-({[(1S)-1-HYDROXYHEXADECYL]OXY}METHYL)-2,2-DIMETHYL-5,7,10-TRIOXA-2LAMBDA~5~-AZA-6LAMBDA~5~-PHOSPHAOCTACOSANE-6,6,11-TRIOL, CALCIUM ION, CARDIOLIPIN, ...
Authors:Zhuo, W, Zhou, H, Yang, M.
Deposit date:2019-06-10
Release date:2020-09-09
Last modified:2024-03-27
Method:ELECTRON MICROSCOPY (3.27 Å)
Cite:Structure of intact human MCU supercomplex with the auxiliary MICU subunits.
Protein Cell, 12, 2021
6QCM
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BU of 6qcm by Molmil
Cryo em structure of the Listeria stressosome
Descriptor: RsbR protein, RsbR protein,RsbR protein, RsbS protein
Authors:Williams, A.H, Redzej, A, Waksman, G, Cossart, P.
Deposit date:2018-12-28
Release date:2019-08-21
Last modified:2024-05-15
Method:ELECTRON MICROSCOPY (4.21 Å)
Cite:The cryo-electron microscopy supramolecular structure of the bacterial stressosome unveils its mechanism of activation.
Nat Commun, 10, 2019
4V6H
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BU of 4v6h by Molmil
Crystal structure of succinate-semialdehyde dehydrogenase from Burkholderia pseudomallei
Descriptor: Succinate-semialdehyde dehydrogenase (NADP+)
Authors:Seattle Structural Genomics Center for Infectious Disease (SSGCID)
Deposit date:2009-07-24
Release date:2014-07-09
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Crystal structure of succinate-semialdehyde dehydrogenase from Burkholderia pseudomallei
To be Published
1D7X
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BU of 1d7x by Molmil
CRYSTAL STRUCTURE OF MMP3 COMPLEXED WITH A MODIFIED PROLINE SCAFFOLD BASED INHIBITOR.
Descriptor: CALCIUM ION, N-HYDROXY 1N(4-METHOXYPHENYL)SULFONYL-4-(Z,E-N-METHOXYIMINO)PYRROLIDINE-2R-CARBOXAMIDE, STROMELYSIN-1 PRECURSOR, ...
Authors:Cheng, M.Y, Natchus, M.G, De, B, Almstead, N.G, Pikul, S.
Deposit date:1999-10-20
Release date:2000-10-23
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (2 Å)
Cite:Design, synthesis, and biological evaluation of matrix metalloproteinase inhibitors derived from a modified proline scaffold.
J.Med.Chem., 42, 1999
6QG4
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BU of 6qg4 by Molmil
Structure of the mitogen activated kinase kinase 7 in complex with pyrazolopyrimidine inhibitor 1h
Descriptor: 1-[(3~{R})-3-[4-azanyl-3-(4-hydroxyphenyl)pyrazolo[3,4-d]pyrimidin-1-yl]piperidin-1-yl]propan-1-one, Dual specificity mitogen-activated protein kinase kinase 7
Authors:Wolle, P, Mueller, M.P, Rauh, D.
Deposit date:2019-01-10
Release date:2019-05-22
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Characterization of Covalent Pyrazolopyrimidine-MKK7 Complexes and a Report on a Unique DFG-in/Leu-in Conformation of Mitogen-Activated Protein Kinase Kinase 7 (MKK7).
J.Med.Chem., 62, 2019
1CHJ
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BU of 1chj by Molmil
STRUCTURAL STUDIES OF THE ROLES OF RESIDUES 82 AND 85 AT THE INTERACTIVE FACE OF CYTOCHROME C
Descriptor: CYTOCHROME C, HEME C, SULFATE ION
Authors:Lo, T.P, Brayer, G.D.
Deposit date:1994-06-01
Release date:1994-12-20
Last modified:2021-03-03
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Structural studies of the roles of residues 82 and 85 at the interactive face of cytochrome c.
Biochemistry, 34, 1995
6QG6
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BU of 6qg6 by Molmil
Structure of eIF2B-eIF2 (phosphorylated at Ser51) complex (model D)
Descriptor: Eukaryotic translation initiation factor 2 subunit alpha, Eukaryotic translation initiation factor 2 subunit beta, Eukaryotic translation initiation factor 2 subunit gamma, ...
Authors:Llacer, J.L, Gordiyenko, Y, Ramakrishnan, V.
Deposit date:2019-01-10
Release date:2019-06-26
Last modified:2024-10-16
Method:ELECTRON MICROSCOPY (10.4 Å)
Cite:Structural basis for the inhibition of translation through eIF2 alpha phosphorylation.
Nat Commun, 10, 2019
6KEH
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BU of 6keh by Molmil
Crystal structure of BRD4 bromodomain 1 (BD1) in complex with 6,16-dimethoxy-11-methyl-2-oxa-11-azatetracyclo[8.6.1.03,8.013,17]heptadeca-1(17),3,5,7,9,13,15-heptaen-12-one
Descriptor: 6,16-dimethoxy-11-methyl-2-oxa-11-azatetracyclo[8.6.1.03,8.013,17]heptadeca-1(17),3,5,7,9,13,15-heptaen-12-one, Bromodomain-containing protein 4, FORMIC ACID
Authors:Lee, B.I, Park, T.H.
Deposit date:2019-07-04
Release date:2020-07-08
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.553 Å)
Cite:Synthesis and Structure-Activity Relationships of Aristoyagonine Derivatives as Brd4 Bromodomain Inhibitors with X-ray Co-Crystal Research.
Molecules, 26, 2021
4W9Y
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BU of 4w9y by Molmil
X-ray structure of human glutamate carboxypeptidase II (GCPII) in complex with a glutamyl sulfamide inhibitor CJC47
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, ...
Authors:Pavlicek, J, Barinka, C.
Deposit date:2014-08-28
Release date:2015-09-23
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.64 Å)
Cite:Structural, Biochemical, and Computational Characterization of Sulfamides as Bimetallic Peptidase Inhibitors.
J.Chem.Inf.Model., 2024
6KEJ
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BU of 6kej by Molmil
Crystal structure of BRD4 bromodomain 1 (BD1) in complex with 6-[2-(diethylamino)ethoxy]-16-methoxy-11-methyl-2-oxa-11-azatetracyclo[8.6.1.03,8.013,17]heptadeca-1(17),3,5,7,9,13,15-heptaen-12-one
Descriptor: 6-[2-(diethylamino)ethoxy]-16-methoxy-11-methyl-2-oxa-11-azatetracyclo[8.6.1.03,8.013,17]heptadeca-1(17),3,5,7,9,13,15-heptaen-12-one, Bromodomain-containing protein 4, FORMIC ACID
Authors:Lee, B.I, Park, T.H.
Deposit date:2019-07-04
Release date:2020-07-08
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Synthesis and Structure-Activity Relationships of Aristoyagonine Derivatives as Brd4 Bromodomain Inhibitors with X-ray Co-Crystal Research.
Molecules, 26, 2021
6QFR
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BU of 6qfr by Molmil
Structure of the mitogen activated kinase kinase 7 dfg-out conformation
Descriptor: Dual specificity mitogen-activated protein kinase kinase 7
Authors:Wolle, P, Mueller, M.P, Rauh, D.
Deposit date:2019-01-10
Release date:2019-05-22
Last modified:2024-05-15
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Characterization of Covalent Pyrazolopyrimidine-MKK7 Complexes and a Report on a Unique DFG-in/Leu-in Conformation of Mitogen-Activated Protein Kinase Kinase 7 (MKK7).
J.Med.Chem., 62, 2019
1CKL
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BU of 1ckl by Molmil
N-TERMINAL TWO DOMAINS OF HUMAN CD46 (MEMBRANE COFACTOR PROTEIN, MCP)
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, CHLORIDE ION, ...
Authors:Casasnovas, J, Larvie, M, Stehle, T.
Deposit date:1999-04-22
Release date:1999-06-11
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (3.1 Å)
Cite:Crystal structure of two CD46 domains reveals an extended measles virus-binding surface.
EMBO J., 18, 1999
1CL6
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BU of 1cl6 by Molmil
CRYSTAL STRUCTURES OF FERRIC-NO COMPLEXES OF FUNGAL NITRIC OXIDE REDUCTASE AND ITS SER286 MUTANTS AT CRYOGENIC TEMPERATURE
Descriptor: CYTOCHROME P450, NITRIC OXIDE, PROTOPORPHYRIN IX CONTAINING FE
Authors:Park, S.-Y, Shiro, Y.
Deposit date:1999-05-06
Release date:2000-03-22
Last modified:2023-08-09
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Proton delivery in NO reduction by fungal nitric-oxide reductase. Cryogenic crystallography, spectroscopy, and kinetics of ferric-NO complexes of wild-type and mutant enzymes.
J.Biol.Chem., 275, 2000

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