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7O9X
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BU of 7o9x by Molmil
Crystal structure of Human Menin with fragment 16
Descriptor: (2-methoxyphenyl)methanamine, 1,2-ETHANEDIOL, GLYCEROL, ...
Authors:Groves, M.R, Gao, K.
Deposit date:2021-04-17
Release date:2022-07-27
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.299 Å)
Cite:Crystal structure of Human Menin with fragment 16
To Be Published
8TKN
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BU of 8tkn by Molmil
Murine NF-kappaB p50 Rel Homology Region homodimer in complex with 10-mer kappaB DNA from human Neutrophil Gelatinase-associated Lipocalin (NGAL) promoter
Descriptor: DNA A, DNA B, Nuclear factor NF-kappa-B p50 subunit
Authors:Zhu, N, Mealka, M, Mitchel, S, Rogers, W.E, Huxford, T.
Deposit date:2023-07-25
Release date:2023-10-11
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:X-ray Crystallographic Study of Preferred Spacing by the NF-kappa B p50 Homodimer on kappa B DNA.
Biomolecules, 13, 2023
6F2J
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BU of 6f2j by Molmil
Crystal structure of Hen Egg-White Lysozyme co-crystallized in presence of 100 mM Tb-Xo4 and 100 mM sodium sulfate
Descriptor: CHLORIDE ION, Lysozyme C, SODIUM ION, ...
Authors:Engilberge, S, Riobe, F, Di Pietro, S, Girard, E, Dumont, E, Maury, O.
Deposit date:2017-11-24
Release date:2018-10-03
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.3 Å)
Cite:Unveiling the Binding Modes of the Crystallophore, a Terbium-based Nucleating and Phasing Molecular Agent for Protein Crystallography.
Chemistry, 24, 2018
8FXP
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BU of 8fxp by Molmil
Structure of capsid of Agrobacterium phage Milano
Descriptor: Linking protein 1, gp16, Linking protein 2, ...
Authors:Sonani, R.R, Wang, F, Esteves, N.C, Kelly, R.J, Sebastian, A, Kreutzberger, M.A.B, Leiman, P.G, Scharf, B.E, Egelman, E.H.
Deposit date:2023-01-25
Release date:2023-12-06
Method:ELECTRON MICROSCOPY (4.04 Å)
Cite:Neck and capsid architecture of the robust Agrobacterium phage Milano.
Commun Biol, 6, 2023
6F33
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BU of 6f33 by Molmil
Crystal structure of ectonucleotide phosphodiesterase/pyrophosphatase-3 (NPP3) in complex with AMPNPP
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 5'-O-[(S)-hydroxy{[(S)-hydroxy(phosphonooxy)phosphoryl]amino}phosphoryl]adenosine, ...
Authors:Dohler, C, Zebisch, M, Strater, N.
Deposit date:2017-11-27
Release date:2018-08-01
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (3 Å)
Cite:Crystal structure and substrate binding mode of ectonucleotide phosphodiesterase/pyrophosphatase-3 (NPP3).
Sci Rep, 8, 2018
4LC2
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BU of 4lc2 by Molmil
Crystal structure of the bromodomain of human BRPF1B
Descriptor: 1,2-ETHANEDIOL, NITRATE ION, Peregrin
Authors:Tallant, C, Nunez-Alonso, G, Savitsky, P, Picaud, S, Filippakopoulos, P, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Knapp, S, Structural Genomics Consortium (SGC)
Deposit date:2013-06-21
Release date:2013-07-24
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.65 Å)
Cite:Crystal structure of the bromodomain of human BRPF1B
TO BE PUBLISHED
6F3O
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BU of 6f3o by Molmil
Crystal structure of S-adenosyl-L-homocysteine hydrolase from Pseudomonas aeruginosa complexed with adenine, K+ and Zn2+ cations
Descriptor: ADENINE, Adenosylhomocysteinase, GLYCEROL, ...
Authors:Czyrko, J, Brzezinski, K.
Deposit date:2017-11-28
Release date:2018-08-08
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:Metal-cation regulation of enzyme dynamics is a key factor influencing the activity of S-adenosyl-L-homocysteine hydrolase from Pseudomonas aeruginosa.
Sci Rep, 8, 2018
7OA9
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BU of 7oa9 by Molmil
Crystal structure of Human Menin in complex with Fragment 21
Descriptor: (~{E})-2-cyano-3-(4-hydroxyphenyl)-~{N}-(2-morpholin-4-ylethyl)prop-2-enamide, 1,2-ETHANEDIOL, GLYCEROL, ...
Authors:Groves, M.R, Gao, K.
Deposit date:2021-04-19
Release date:2022-08-03
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.098 Å)
Cite:Crystal structure of Human Menin in complex with Fragment 21
To Be Published
8FXR
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BU of 8fxr by Molmil
Structure of neck with portal vertex of capsid of Agrobacterium phage Milano
Descriptor: Collar sheath protein, gp13, Linking protein 1, ...
Authors:Sonani, R.R, Wang, F, Esteves, N.C, Kelly, R.J, Sebastian, A, Kreutzberger, M.A.B, Leiman, P.G, Scharf, B.E, Egelman, E.H.
Deposit date:2023-01-25
Release date:2023-12-06
Method:ELECTRON MICROSCOPY (4.5 Å)
Cite:Neck and capsid architecture of the robust Agrobacterium phage Milano.
Commun Biol, 6, 2023
6F4A
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BU of 6f4a by Molmil
Yeast mitochondrial RNA degradosome complex mtEXO
Descriptor: Exoribonuclease II, mitochondrial, RNA (5'-R(P*AP*GP*AP*UP*AP*C)-3'), ...
Authors:Razew, M, Nowak, E, Nowotny, M.
Deposit date:2017-11-29
Release date:2018-01-17
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (3.55 Å)
Cite:Structural analysis of mtEXO mitochondrial RNA degradosome reveals tight coupling of nuclease and helicase components.
Nat Commun, 9, 2018
7OAS
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BU of 7oas by Molmil
Structural basis for targeted p97 remodeling by ASPL as prerequisite for p97 trimethylation by METTL21D
Descriptor: 1,2-ETHANEDIOL, S-ADENOSYL-L-HOMOCYSTEINE, S-adenosyl-L-methionine-dependent methyltransferases superfamily protein
Authors:Petrovic, S, Heinemann, U, Roske, Y.
Deposit date:2021-04-20
Release date:2022-08-03
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (1.819 Å)
Cite:Structural remodeling of AAA+ ATPase p97 by adaptor protein ASPL facilitates posttranslational methylation by METTL21D.
Proc.Natl.Acad.Sci.USA, 120, 2023
8TKM
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BU of 8tkm by Molmil
Murine NF-kappaB p50 Rel Homology Region homodimer in complex with 17-mer kappaB DNA from human interleukin-6 (IL-6) promoter
Descriptor: 17-mer kappaB DNA, Nuclear factor NF-kappa-B p50 subunit
Authors:Zhu, N, Mealka, M, Mitchel, S, Rogers, W.E, Huxford, T.
Deposit date:2023-07-25
Release date:2023-10-11
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:X-ray Crystallographic Study of Preferred Spacing by the NF-kappa B p50 Homodimer on kappa B DNA.
Biomolecules, 13, 2023
7O0Z
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BU of 7o0z by Molmil
ABC transporter NosFY, nucleotide-free in GDN
Descriptor: Probable ABC transporter ATP-binding protein NosF, Probable ABC transporter permease protein NosY
Authors:Mueller, C, Zhang, L, Lu, W, Einsle, O, Du, J.
Deposit date:2021-03-28
Release date:2022-11-02
Last modified:2024-07-10
Method:ELECTRON MICROSCOPY (3.7 Å)
Cite:Molecular interplay of an assembly machinery for nitrous oxide reductase.
Nature, 608, 2022
7OAT
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BU of 7oat by Molmil
Structural basis for targeted p97 remodelling by ASPL as prerequisite for p97 trimethylation by METTL21D
Descriptor: 1,2-ETHANEDIOL, ADENOSINE-5'-TRIPHOSPHATE, MAGNESIUM ION, ...
Authors:Petrovic, S, Heinemann, U, Roske, Y.
Deposit date:2021-04-20
Release date:2022-08-03
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (2.995 Å)
Cite:Structural remodeling of AAA+ ATPase p97 by adaptor protein ASPL facilitates posttranslational methylation by METTL21D.
Proc.Natl.Acad.Sci.USA, 120, 2023
8FWG
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BU of 8fwg by Molmil
Structure of neck and portal vertex of Agrobacterium phage Milano, C5 symmetry
Descriptor: Collar sheath protein, gp13, Linking protein 1, ...
Authors:Sonani, R.R, Wang, F, Esteves, N.C, Kelly, R.J, Sebastian, A, Kreutzberger, M.A.B, Leiman, P.G, Scharf, B.E, Egelman, E.H.
Deposit date:2023-01-22
Release date:2023-12-06
Method:ELECTRON MICROSCOPY (3.45 Å)
Cite:Neck and capsid architecture of the robust Agrobacterium phage Milano.
Commun Biol, 6, 2023
7NWA
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BU of 7nwa by Molmil
CRYSTAL STRUCTURE OF HUMAN CYTOSOLIC BRANCHED-CHAIN AMINOTRANSFERASE (BCAT1) IN COMPLEX WITH PLP AND COMPOUND A
Descriptor: 2-[[4-chloranyl-2,6-bis(fluoranyl)phenyl]methylamino]-7-oxidanylidene-5-propyl-4H-pyrazolo[1,5-a]pyrimidine-3-carbonitrile, Branched-chain-amino-acid aminotransferase, cytosolic, ...
Authors:Hillig, R.C.
Deposit date:2021-03-16
Release date:2022-11-02
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.59 Å)
Cite:BAY-069, a Novel (Trifluoromethyl)pyrimidinedione-Based BCAT1/2 Inhibitor and Chemical Probe.
J.Med.Chem., 65, 2022
7NWB
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BU of 7nwb by Molmil
CRYSTAL STRUCTURE OF HUMAN CYTOSOLIC BRANCHED-CHAIN AMINOTRANSFERASE (BCAT1) IN COMPLEX WITH PLP AND INHIBITOR COMPOUND 1
Descriptor: 4-[2,4-bis(oxidanylidene)-6-(trifluoromethyl)-1H-pyrimidin-3-yl]-5-fluoranyl-2-(2-methylphenoxy)benzenecarbonitrile, Branched-chain-amino-acid aminotransferase, cytosolic, ...
Authors:Hillig, R.C.
Deposit date:2021-03-16
Release date:2022-11-02
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.64 Å)
Cite:BAY-069, a Novel (Trifluoromethyl)pyrimidinedione-Based BCAT1/2 Inhibitor and Chemical Probe.
J.Med.Chem., 65, 2022
7NYA
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BU of 7nya by Molmil
CRYSTAL STRUCTURE OF HUMAN CYTOSOLIC BRANCHED-CHAIN AMINOTRANSFERASE (BCAT1) IN COMPLEX WITH PLP AND SMALL MOLECULE INHIBITOR BAY-069 (COMPOUND 36)
Descriptor: 3-[4-chloranyl-3-(2-methylphenoxy)naphthalen-1-yl]-6-(trifluoromethyl)-5~{H}-pyrimidine-2,4-dione, Branched-chain-amino-acid aminotransferase, cytosolic, ...
Authors:Hillig, R.C.
Deposit date:2021-03-22
Release date:2022-11-02
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:BAY-069, a Novel (Trifluoromethyl)pyrimidinedione-Based BCAT1/2 Inhibitor and Chemical Probe.
J.Med.Chem., 65, 2022
4LE2
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BU of 4le2 by Molmil
Crystal structure of the unphosphorylated receiver domain of DesR in the active state
Descriptor: PHOSPHATE ION, POTASSIUM ION, Transcriptional regulatory protein DesR
Authors:Trajtenberg, F, Larrieux, N, Buschiazzo, A.
Deposit date:2013-06-25
Release date:2014-07-16
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.54 Å)
Cite:Allosteric activation of bacterial response regulators: the role of the cognate histidine kinase beyond phosphorylation.
MBio, 5, 2014
8FWC
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BU of 8fwc by Molmil
Collar sheath structure of Agrobacterium phage Milano
Descriptor: Collar sheath protein, gp13
Authors:Sonani, R.R, Wang, F, Esteves, N.C, Kelly, R.J, Sebastian, A, Kreutzberger, M.A.B, Leiman, P.G, Scharf, B.E, Egelman, E.H.
Deposit date:2023-01-20
Release date:2023-12-06
Method:ELECTRON MICROSCOPY (2.96 Å)
Cite:Neck and capsid architecture of the robust Agrobacterium phage Milano.
Commun Biol, 6, 2023
8FWE
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BU of 8fwe by Molmil
Neck structure of Agrobacterium phage Milano, C3 symmetry
Descriptor: Collar sheath protein, gp13, Neck 1 protein, ...
Authors:Sonani, R.R, Wang, F, Esteves, N.C, Kelly, R.J, Sebastian, A, Kreutzberger, M.A.B, Leiman, P.G, Scharf, B.E, Egelman, E.H.
Deposit date:2023-01-21
Release date:2023-12-06
Method:ELECTRON MICROSCOPY (3.46 Å)
Cite:Neck and capsid architecture of the robust Agrobacterium phage Milano.
Commun Biol, 6, 2023
7O13
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BU of 7o13 by Molmil
ABC transporter NosDFY, nucleotide-free in lipid nanodisc
Descriptor: MAGNESIUM ION, Probable ABC transporter ATP-binding protein NosF, Probable ABC transporter binding protein NosD, ...
Authors:Mueller, C, Zhang, L, Lu, W, Einsle, O, Du, J.
Deposit date:2021-03-28
Release date:2022-11-02
Last modified:2024-07-10
Method:ELECTRON MICROSCOPY (3.6 Å)
Cite:Molecular interplay of an assembly machinery for nitrous oxide reductase.
Nature, 608, 2022
7NWC
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BU of 7nwc by Molmil
CRYSTAL STRUCTURE OF HUMAN CYTOSOLIC BRANCHED-CHAIN AMINOTRANSFERASE (BCAT1) IN COMPLEX WITH PLP AND INHIBITOR COMPOUND 2
Descriptor: 3-(5-chloranyl-2,4-dimethoxy-phenyl)-6-(trifluoromethyl)-1H-pyrimidine-2,4-dione, Branched-chain-amino-acid aminotransferase, cytosolic, ...
Authors:Hillig, R.C.
Deposit date:2021-03-16
Release date:2022-11-02
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.38 Å)
Cite:BAY-069, a Novel (Trifluoromethyl)pyrimidinedione-Based BCAT1/2 Inhibitor and Chemical Probe.
J.Med.Chem., 65, 2022
4L6O
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BU of 4l6o by Molmil
Crystal structure of the Candida albicans Methionine Synthase in complex with Glutamine
Descriptor: 5-methyltetrahydropteroyltriglutamate--homocysteine methyltransferase, GLUTAMINE, ZINC ION
Authors:Ubhi, D, Robertus, J.D.
Deposit date:2013-06-12
Release date:2014-03-05
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.88 Å)
Cite:Structural analysis of a fungal methionine synthase with substrates and inhibitors.
J.Mol.Biol., 426, 2014
4L77
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BU of 4l77 by Molmil
P450cin Active Site Water: Implications for Substrate Binding and Solvent Accessibility
Descriptor: 1,3,3-TRIMETHYL-2-OXABICYCLO[2.2.2]OCTANE, DI(HYDROXYETHYL)ETHER, P450cin, ...
Authors:Madrona, Y, Poulos, T.L.
Deposit date:2013-06-13
Release date:2013-07-24
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.379 Å)
Cite:P450cin active site water: implications for substrate binding and solvent accessibility.
Biochemistry, 52, 2013

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