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6IQM
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BU of 6iqm by Molmil
Crystal Structure of Cell Surface Glyceraldehyde-3-Phosphate Dehydrogenase Complexed with NAD+ from Lactobacillus plantarum
Descriptor: 1,2-ETHANEDIOL, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Glyceraldehyde-3-phosphate dehydrogenase, ...
Authors:Yoneda, K, Kinoshita, H.
Deposit date:2018-11-08
Release date:2018-11-21
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Crystal Structure of Cell Surface Glyceraldehyde-3-Phosphate Dehydrogenase from Lactobacillus plantarum: Insight into the Mercury Binding Mechanism
Milk Sci, 68, 2019
8CUY
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BU of 8cuy by Molmil
ACP1-KS-AT domains of mycobacterial Pks13
Descriptor: 4'-PHOSPHOPANTETHEINE, Polyketide synthase PKS13, UNKNOWN LIGAND
Authors:Kim, S.K, Dickinson, M.S, Finer-Moore, J.S, Rosenberg, O.S, Stroud, R.M.
Deposit date:2022-05-17
Release date:2023-02-15
Last modified:2023-03-29
Method:ELECTRON MICROSCOPY (2.4 Å)
Cite:Structure and dynamics of the essential endogenous mycobacterial polyketide synthase Pks13.
Nat.Struct.Mol.Biol., 30, 2023
8DD7
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BU of 8dd7 by Molmil
The Cryo-EM structure of Drosophila Cryptochrome in complex with Timeless
Descriptor: FLAVIN-ADENINE DINUCLEOTIDE, Methylated-DNA--protein-cysteine methyltransferase,Cryptochrome-1 fusion, Protein timeless,Methylated-DNA--protein-cysteine methyltransferase fusion
Authors:Feng, S, Lin, C, DeOliveira, C.C, Crane, B.R.
Deposit date:2022-06-17
Release date:2023-02-15
Last modified:2024-06-12
Method:ELECTRON MICROSCOPY (3.3 Å)
Cite:Cryptochrome-Timeless structure reveals circadian clock timing mechanisms.
Nature, 617, 2023
8CV0
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BU of 8cv0 by Molmil
KS-AT domains of mycobacterial Pks13 with outward AT conformation
Descriptor: Polyketide synthase PKS13, UNKNOWN LIGAND
Authors:Kim, S.K, Dickinson, M.S, Finer-Moore, J.S, Rosenberg, O.S, Stroud, R.M.
Deposit date:2022-05-17
Release date:2023-02-15
Last modified:2023-03-29
Method:ELECTRON MICROSCOPY (3.1 Å)
Cite:Structure and dynamics of the essential endogenous mycobacterial polyketide synthase Pks13.
Nat.Struct.Mol.Biol., 30, 2023
6IVX
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BU of 6ivx by Molmil
Discovery of the Second Generation ROR gamma Inhibitors Composed of an Azole Scaffold.
Descriptor: (4S)-4-[4'-cyclopropyl-5-(2,2-dimethylpropyl)[3,5'-bi-1,2-oxazol]-3'-yl]-6-[(2,4-dichlorophenyl)amino]-6-oxohexanoic acid, Nuclear receptor ROR-gamma, Nuclear receptor corepressor 2
Authors:Noguchi, M, Nomura, A, Doi, S, Adachi, T.
Deposit date:2018-12-04
Release date:2019-03-06
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.35 Å)
Cite:Discovery of Second Generation ROR gamma Inhibitors Composed of an Azole Scaffold.
J. Med. Chem., 62, 2019
8D1C
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BU of 8d1c by Molmil
Crystal structure of T252E-CYP199A4 in complex with 4-(Trifluoromethoxy)benzoic acid
Descriptor: 4-(trifluoromethoxy)benzoic acid, CHLORIDE ION, Cytochrome P450, ...
Authors:Lee, J.H.Z, Bruning, J.B, Bell, S.G.
Deposit date:2022-05-27
Release date:2023-03-01
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Selective Oxidations Using a Cytochrome P450 Enzyme Variant Driven with Surrogate Oxygen Donors and Light.
Chemistry, 28, 2022
8CUZ
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BU of 8cuz by Molmil
KS-AT domains of mycobacterial Pks13 with inward AT conformation
Descriptor: Polyketide synthase PKS13, UNKNOWN LIGAND
Authors:Kim, S.K, Dickinson, M.S, Finer-Moore, J.S, Rosenberg, O.S, Stroud, R.M.
Deposit date:2022-05-17
Release date:2023-02-15
Last modified:2023-03-29
Method:ELECTRON MICROSCOPY (3 Å)
Cite:Structure and dynamics of the essential endogenous mycobacterial polyketide synthase Pks13.
Nat.Struct.Mol.Biol., 30, 2023
8CV1
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BU of 8cv1 by Molmil
ACP1-KS-AT domains of mycobacterial Pks13
Descriptor: Polyketide synthase PKS13, UNKNOWN LIGAND
Authors:Kim, S.K, Dickinson, M.S, Finer-Moore, J.S, Rosenberg, O.S, Stroud, R.M.
Deposit date:2022-05-17
Release date:2023-02-15
Last modified:2023-03-29
Method:ELECTRON MICROSCOPY (2.6 Å)
Cite:Structure and dynamics of the essential endogenous mycobacterial polyketide synthase Pks13.
Nat.Struct.Mol.Biol., 30, 2023
5CWZ
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BU of 5cwz by Molmil
Crystal structure of the kinase domain of human TRAF2 and NCK-interacting protein kinase
Descriptor: TRAF2 and NCK-interacting protein kinase
Authors:Ohbayashi, N, Kukimoto-Niino, M, Yamada, T, Shirouzu, M.
Deposit date:2015-07-28
Release date:2016-07-27
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:TNIK inhibition abrogates colorectal cancer stemness
Nat Commun, 7, 2016
1HWW
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BU of 1hww by Molmil
GOLGI ALPHA-MANNOSIDASE II IN COMPLEX WITH SWAINSONINE
Descriptor: (4R)-2-METHYLPENTANE-2,4-DIOL, 1S-8AB-OCTAHYDRO-INDOLIZIDINE-1A,2A,8B-TRIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:van den Elsen, J.M.H, Kuntz, D.A, Rose, D.R.
Deposit date:2001-01-10
Release date:2002-01-10
Last modified:2023-08-09
Method:X-RAY DIFFRACTION (1.87 Å)
Cite:Structure of Golgi alpha-mannosidase II: a target for inhibition of growth and metastasis of cancer cells.
EMBO J., 20, 2001
3KO7
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BU of 3ko7 by Molmil
DTD from Plasmodium falciparum in complex with D-Lysine
Descriptor: D-LYSINE, D-tyrosyl-tRNA(Tyr) deacylase
Authors:Manickam, Y, Bhatt, T.K, Sharma, A.
Deposit date:2009-11-13
Release date:2009-12-01
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (2.21 Å)
Cite:Ligand-bound Structures Provide Atomic Snapshots for the Catalytic Mechanism of D-Amino Acid Deacylase
J.Biol.Chem., 285, 2010
3KO3
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BU of 3ko3 by Molmil
D-tyrosyl-tRNA(Tyr) deacylase from Plasmodium falciparum incomplex with ADP, obtained through soaking native enzyme crystal with the ATP
Descriptor: ADENOSINE-5'-DIPHOSPHATE, D-tyrosyl-tRNA(Tyr) deacylase
Authors:Manickam, Y, Bhatt, T.K, Sharma, A.
Deposit date:2009-11-13
Release date:2009-12-08
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Ligand-bound Structures Provide Atomic Snapshots for the Catalytic Mechanism of D-Amino Acid Deacylase
J.Biol.Chem., 285, 2010
3KOD
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BU of 3kod by Molmil
DTD from Plasmodium falciparum in complex with D-Serine
Descriptor: D-SERINE, D-tyrosyl-tRNA(Tyr) deacylase
Authors:Manickam, Y, Bhatt, T.K, Sharma, A.
Deposit date:2009-11-13
Release date:2009-12-08
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (3 Å)
Cite:Ligand-bound Structures Provide Atomic Snapshots for the Catalytic Mechanism of D-Amino Acid Deacylase
J.Biol.Chem., 285, 2010
5DPN
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BU of 5dpn by Molmil
Engineered CBM X-2 L110F in complex with branched carbohydrate XXXG.
Descriptor: CALCIUM ION, Xylanase, alpha-D-xylopyranose-(1-6)-beta-D-glucopyranose-(1-4)-[alpha-D-xylopyranose-(1-6)]beta-D-glucopyranose-(1-4)-[alpha-D-xylopyranose-(1-6)]beta-D-glucopyranose-(1-4)-beta-D-glucopyranose
Authors:Ohlin, M.
Deposit date:2015-09-13
Release date:2015-10-28
Last modified:2024-05-01
Method:NEUTRON DIFFRACTION (1.6 Å), X-RAY DIFFRACTION
Cite:Neutron Crystallographic Studies Reveal Hydrogen Bond and Water-Mediated Interactions between a Carbohydrate-Binding Module and Its Bound Carbohydrate Ligand.
Biochemistry, 54, 2015
5DRX
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BU of 5drx by Molmil
Crystal structure of the BCR Fab fragment from subset #4 case CLL240
Descriptor: CLL240 BCR light chain, CLL240 heavy chain (VH and CH1 domains), GLYCEROL
Authors:Minici, C, Degano, M.
Deposit date:2015-09-16
Release date:2016-09-28
Last modified:2024-05-01
Method:X-RAY DIFFRACTION (2.104 Å)
Cite:Distinct homotypic B-cell receptor interactions shape the outcome of chronic lymphocytic leukaemia.
Nat Commun, 8, 2017
5AWX
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BU of 5awx by Molmil
Crystal structure of Human PTPRZ D1 domain
Descriptor: BROMIDE ION, Receptor-type tyrosine-protein phosphatase zeta
Authors:Sugawara, H.
Deposit date:2015-07-10
Release date:2016-02-17
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (1.86 Å)
Cite:Small-molecule inhibition of PTPRZ reduces tumor growth in a rat model of glioblastoma
Sci Rep, 6, 2016
3J2U
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BU of 3j2u by Molmil
Kinesin-13 KLP10A HD in complex with CS-tubulin and a microtubule
Descriptor: Kinesin-like protein Klp10A, Tubulin alpha-1A chain, Tubulin beta-2B chain
Authors:Asenjo, A.B, Chatterjee, C, Tan, D, DePaoli, V, Rice, W.J, Diaz-Avalos, R, Silvestry, M, Sosa, H.
Deposit date:2013-01-10
Release date:2013-03-06
Last modified:2024-02-21
Method:ELECTRON MICROSCOPY (10.8 Å)
Cite:Structural model for tubulin recognition and deformation by Kinesin-13 microtubule depolymerases.
Cell Rep, 3, 2013
5AUL
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BU of 5aul by Molmil
PI3K p85 C-terminal SH2 domain/CD28-derived peptide complex
Descriptor: GLYCEROL, Phosphatidylinositol 3-kinase regulatory subunit alpha, T-cell-specific surface glycoprotein CD28
Authors:Inaba, S, Numoto, N, Morii, H, Ikura, T, Oda, M, Ito, N.
Deposit date:2015-04-28
Release date:2016-05-25
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (1.1 Å)
Cite:Crystal Structures and Thermodynamic Analysis Reveal Distinct Mechanisms of CD28 Phosphopeptide Binding to the Src Homology 2 (SH2) Domains of Three Adaptor Proteins
J. Biol. Chem., 292, 2017
5D8G
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BU of 5d8g by Molmil
A structural view on the dissociation of E. coli Tryptophanase
Descriptor: 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, CALCIUM ION, CHLORIDE ION, ...
Authors:Almog, O.
Deposit date:2015-08-17
Release date:2015-12-09
Last modified:2016-07-20
Method:X-RAY DIFFRACTION (1.89 Å)
Cite:A structural view of the dissociation of Escherichia coli tryptophanase.
Acta Crystallogr.,Sect.D, 71, 2015
3I2T
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BU of 3i2t by Molmil
Crystal structure of the unliganded Drosophila Epidermal Growth Factor Receptor ectodomain
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-alpha-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Epidermal growth factor receptor, ...
Authors:Alvarado, D, Klein, D.E, Lemmon, M.A.
Deposit date:2009-06-29
Release date:2009-09-08
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:ErbB2 resembles an autoinhibited invertebrate epidermal growth factor receptor.
Nature, 461, 2009
6HI1
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BU of 6hi1 by Molmil
PI3 Kinase Delta in complex with 3[6(morpholin4yl)pyridin2yl]phenol
Descriptor: 3-(6-morpholin-4-ylpyridin-2-yl)phenol, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform
Authors:Convery, M.A, Summers, D, Peace, S.
Deposit date:2018-08-29
Release date:2019-09-11
Last modified:2024-05-15
Method:X-RAY DIFFRACTION (2.07 Å)
Cite:A theoretical and experimental investigation into the conformational bias of aryl cyclopropylpyrans, novel bioisosteres for N-aryl morpholines.
To be published
7SCC
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BU of 7scc by Molmil
T-cylinder of Synechocystis PCC 6803 Phycobilisome, complex with OCP - local refinement
Descriptor: Allophycocyanin alpha chain, Allophycocyanin beta chain, Orange carotenoid-binding protein, ...
Authors:Sauer, P.V, Sutter, M, Dominguez-Martin, M.A, Kirst, H, Kerfeld, C.A.
Deposit date:2021-09-27
Release date:2022-08-31
Last modified:2022-10-05
Method:ELECTRON MICROSCOPY (2.6 Å)
Cite:Structures of a phycobilisome in light-harvesting and photoprotected states.
Nature, 609, 2022
7SCB
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BU of 7scb by Molmil
B-cylinder of Synechocystis PCC 6803 Phycobilisome, complex with OCP - local refinement
Descriptor: Allophycocyanin alpha chain, Allophycocyanin beta chain, Allophycocyanin subunit alpha-B, ...
Authors:Sauer, P.V, Sutter, M, Dominguez-Martin, M.A, Kirst, H, Kerfeld, C.A.
Deposit date:2021-09-27
Release date:2022-08-31
Last modified:2022-10-05
Method:ELECTRON MICROSCOPY (2.5 Å)
Cite:Structures of a phycobilisome in light-harvesting and photoprotected states.
Nature, 609, 2022
7SC8
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BU of 7sc8 by Molmil
Synechocystis PCC 6803 Phycobilisome rod from PBS sample
Descriptor: C-phycocyanin alpha subunit, C-phycocyanin beta subunit, PHYCOCYANOBILIN, ...
Authors:Sauer, P.V, Sutter, M, Dominguez-Martin, M.A, Kirst, H, Kerfeld, C.A.
Deposit date:2021-09-27
Release date:2022-08-31
Last modified:2022-10-05
Method:ELECTRON MICROSCOPY (2.1 Å)
Cite:Structures of a phycobilisome in light-harvesting and photoprotected states.
Nature, 609, 2022
7SC7
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BU of 7sc7 by Molmil
Synechocystis PCC 6803 Phycobilisome core from up-down rod conformation
Descriptor: Allophycocyanin alpha chain, Allophycocyanin beta chain, Allophycocyanin subunit alpha-B, ...
Authors:Sauer, P.V, Sutter, M, Dominguez-Martin, M.A, Kirst, H, Kerfeld, C.A.
Deposit date:2021-09-27
Release date:2022-08-31
Last modified:2022-10-05
Method:ELECTRON MICROSCOPY (2.8 Å)
Cite:Structures of a phycobilisome in light-harvesting and photoprotected states.
Nature, 609, 2022

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