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8DBH
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BU of 8dbh by Molmil
Human PRPS1 with Phosphate and ATP; Filament Interface
Descriptor: ADENOSINE-5'-TRIPHOSPHATE, MAGNESIUM ION, PHOSPHATE ION, ...
Authors:Hvorecny, K.L, Kollman, J.M.
Deposit date:2022-06-14
Release date:2023-02-15
Last modified:2024-06-12
Method:ELECTRON MICROSCOPY (2.2 Å)
Cite:Human PRPS1 filaments stabilize allosteric sites to regulate activity.
Nat.Struct.Mol.Biol., 30, 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
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
7NXO
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BU of 7nxo by Molmil
CRYSTAL STRUCTURE OF HUMAN CYTOSOLIC BRANCHED-CHAIN AMINOTRANSFERASE (BCAT1) IN COMPLEX WITH PLP AND SMALL MOLECULE INHIBITOR COMPOUND 24(5-F)
Descriptor: 4-[2,4-bis(oxidanylidene)-6-(phenylsulfonyl)-1H-pyrimidin-3-yl]-5-fluoranyl-2-(2-methylphenoxy)benzenecarbonitrile, Branched-chain-amino-acid aminotransferase, cytosolic, ...
Authors:Hillig, R.C.
Deposit date:2021-03-19
Release date:2022-11-02
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.71 Å)
Cite:BAY-069, a Novel (Trifluoromethyl)pyrimidinedione-Based BCAT1/2 Inhibitor and Chemical Probe.
J.Med.Chem., 65, 2022
8DBD
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BU of 8dbd by Molmil
Human PRPS1 with Phosphate; Filament Interface
Descriptor: PHOSPHATE ION, Ribose-phosphate pyrophosphokinase 1
Authors:Hvorecny, K.L, Kollman, J.M.
Deposit date:2022-06-14
Release date:2023-02-15
Last modified:2024-06-12
Method:ELECTRON MICROSCOPY (3.2 Å)
Cite:Human PRPS1 filaments stabilize allosteric sites to regulate activity.
Nat.Struct.Mol.Biol., 30, 2023
4V6M
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BU of 4v6m by Molmil
Structure of the ribosome-SecYE complex in the membrane environment
Descriptor: (1R)-2-{[{[(2S)-2,3-DIHYDROXYPROPYL]OXY}(HYDROXY)PHOSPHORYL]OXY}-1-[(PALMITOYLOXY)METHYL]ETHYL (11E)-OCTADEC-11-ENOATE, (1S)-2-{[(2-AMINOETHOXY)(HYDROXY)PHOSPHORYL]OXY}-1-[(PALMITOYLOXY)METHYL]ETHYL STEARATE, 16S RIBOSOMAL RNA, ...
Authors:Frauenfeld, J, Gumbart, J, van der Sluis, E.O, Funes, S, Gartmann, M, Beatrix, B, Mielke, T, Berninghausen, O, Becker, T, Schulten, K, Beckmann, R.
Deposit date:2011-02-08
Release date:2014-07-09
Last modified:2024-02-28
Method:ELECTRON MICROSCOPY (7.1 Å)
Cite:Cryo-EM structure of the ribosome-SecYE complex in the membrane environment.
Nat.Struct.Mol.Biol., 18, 2011
7WV4
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BU of 7wv4 by Molmil
ectoTLR3-poly(I:C) cluster
Descriptor: RNA (80-MER), Toll-like receptor 3
Authors:Lim, C.S, Jang, Y.H, Lee, G.Y, Han, G.M, Lee, J.O.
Deposit date:2022-02-09
Release date:2022-11-16
Last modified:2022-12-07
Method:ELECTRON MICROSCOPY (3.35 Å)
Cite:TLR3 forms a highly organized cluster when bound to a poly(I:C) RNA ligand.
Nat Commun, 13, 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
7XKE
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BU of 7xke by Molmil
Cryo-EM structure of DHEA-ADGRG2-FL-Gs complex
Descriptor: 3-BETA-HYDROXY-5-ANDROSTEN-17-ONE, Adhesion G-protein coupled receptor G2, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, ...
Authors:Guo, S.C, Xiao, P, Lin, H, Sun, J.P, Yu, X.
Deposit date:2022-04-19
Release date:2022-08-10
Last modified:2023-03-15
Method:ELECTRON MICROSCOPY (2.9 Å)
Cite:Structures of the ADGRG2-G s complex in apo and ligand-bound forms.
Nat.Chem.Biol., 18, 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
8DEX
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BU of 8dex by Molmil
type I-C Cascade
Descriptor: CRISPR-associated protein, CT1133 family, TM1801 family, ...
Authors:O'Brien, R.E, Bravo, J.P.K, Ramos, D, Hibshman, G.N, Wright, J.T, Taylor, D.W.
Deposit date:2022-06-21
Release date:2023-02-15
Last modified:2024-06-12
Method:ELECTRON MICROSCOPY (2.7 Å)
Cite:Structural snapshots of R-loop formation by a type I-C CRISPR Cascade.
Mol.Cell, 83, 2023
7OFA
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BU of 7ofa by Molmil
Keap1 kelch domain bound to a small molecule fragment
Descriptor: 2,6-bis(chloranyl)-5-fluoranyl-pyridine-3-carboxylic acid, DIMETHYL SULFOXIDE, Kelch-like ECH-associated protein 1
Authors:Narayanan, D, Bach, A, Gajhede, M.
Deposit date:2021-05-04
Release date:2022-11-02
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.22 Å)
Cite:Development of Noncovalent Small-Molecule Keap1-Nrf2 Inhibitors by Fragment-Based Drug Discovery.
J.Med.Chem., 65, 2022
6U0T
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BU of 6u0t by Molmil
Protofilament Ribbon Flagellar Proteins Rib43a-S
Descriptor: GUANOSINE-5'-DIPHOSPHATE, GUANOSINE-5'-TRIPHOSPHATE, MAGNESIUM ION, ...
Authors:Ichikawa, M, Khalifa, A.A.Z, Vargas, J, Basu, K, Bui, K.H.
Deposit date:2019-08-14
Release date:2019-09-25
Last modified:2024-03-13
Method:ELECTRON MICROSCOPY (4.16 Å)
Cite:Tubulin lattice in cilia is in a stressed form regulated by microtubule inner proteins.
Proc.Natl.Acad.Sci.USA, 116, 2019
4V7S
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BU of 4v7s by Molmil
Crystal structure of the E. coli ribosome bound to telithromycin.
Descriptor: 16S rRNA, 23S rRNA, 30S ribosomal protein S10, ...
Authors:Dunkle, J.A, Xiong, L, Mankin, A.S, Cate, J.H.D.
Deposit date:2010-08-05
Release date:2014-07-09
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (3.2547 Å)
Cite:Structures of the Escherichia coli ribosome with antibiotics bound near the peptidyl transferase center explain spectra of drug action.
Proc.Natl.Acad.Sci.USA, 107, 2010
7OFE
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BU of 7ofe by Molmil
Keap1 kelch domain bound to a small molecule inhibitor of the Keap1-Nrf2 protein-protein interaction
Descriptor: 2-[(9-oxidanylidenefluoren-4-yl)carbonylamino]ethanoic acid, DIMETHYL SULFOXIDE, Kelch-like ECH-associated protein 1, ...
Authors:Narayanan, D, Bach, A, Gajhede, M.
Deposit date:2021-05-04
Release date:2022-11-02
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.19 Å)
Cite:Development of Noncovalent Small-Molecule Keap1-Nrf2 Inhibitors by Fragment-Based Drug Discovery.
J.Med.Chem., 65, 2022
7OFF
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BU of 7off by Molmil
Keap1 kelch domain bound to a small molecule inhibitor of the Keap1-Nrf2 protein-protein interaction
Descriptor: (2~{R})-2-[(9-oxidanylidenefluoren-4-yl)carbonylamino]-2-phenyl-ethanoic acid, DIMETHYL SULFOXIDE, Kelch-like ECH-associated protein 1, ...
Authors:Narayanan, D, Bach, A, Gajhede, M.
Deposit date:2021-05-04
Release date:2022-11-02
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.37 Å)
Cite:Development of Noncovalent Small-Molecule Keap1-Nrf2 Inhibitors by Fragment-Based Drug Discovery.
J.Med.Chem., 65, 2022
6ULH
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BU of 6ulh by Molmil
Structure of MavC in complex with its substrate in R3 spacegroup
Descriptor: LPG2147 (MavC), Ubiquitin, Ubiquitin-conjugating enzyme E2 N
Authors:Iyer, S, Puvar, K, Das, C.
Deposit date:2019-10-08
Release date:2020-05-27
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.968 Å)
Cite:Legionella effector MavC targets the Ube2N~Ub conjugate for noncanonical ubiquitination.
Nat Commun, 11, 2020
7NXN
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BU of 7nxn by Molmil
CRYSTAL STRUCTURE OF HUMAN CYTOSOLIC BRANCHED-CHAIN AMINOTRANSFERASE (BCAT1) IN COMPLEX WITH PLP AND SMALL MOLECULE INHIBITOR COMPOUND 21(5-F)
Descriptor: 4-[6-[bis(fluoranyl)-phenyl-methyl]-2,4-bis(oxidanylidene)-1~{H}-pyrimidin-3-yl]-5-fluoranyl-2-(2-methylphenoxy)benzenecarbonitrile, Branched-chain-amino-acid aminotransferase, cytosolic, ...
Authors:Hillig, R.C.
Deposit date:2021-03-19
Release date:2022-11-02
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:BAY-069, a Novel (Trifluoromethyl)pyrimidinedione-Based BCAT1/2 Inhibitor and Chemical Probe.
J.Med.Chem., 65, 2022
8IXS
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BU of 8ixs by Molmil
Methyl and Fluorine Effects in Novel Orally Bioavailable Keap1/Nrf2 PPI Inhibitor for Treatment of Chronic Kidney Disease
Descriptor: (2R,3S)-3-[[(2S)-2-fluoranyl-2-(5,6,7,8-tetrahydronaphthalen-2-yl)ethanoyl]amino]-2-methyl-3-(4-methylphenyl)propanoic acid, Kelch-like ECH-associated protein 1, SULFATE ION
Authors:Nomura, A, Yamaguchi, K, Adachi, T.
Deposit date:2023-04-03
Release date:2023-06-14
Last modified:2024-05-29
Method:X-RAY DIFFRACTION (1.48 Å)
Cite:Methyl and Fluorine Effects in Novel Orally Bioavailable Keap1-Nrf2 PPI Inhibitor.
Acs Med.Chem.Lett., 14, 2023
7NWM
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BU of 7nwm by Molmil
CRYSTAL STRUCTURE OF HUMAN CYTOSOLIC BRANCHED-CHAIN AMINOTRANSFERASE (BCAT1) IN COMPLEX WITH PLP AND INHIBITOR COMPOUND 12
Descriptor: 4-[2,4-bis(oxidanylidene)-6-(trifluoromethyl)-1H-pyrimidin-3-yl]-5-methoxy-2-(2-methylphenoxy)benzenecarbonitrile, Branched-chain-amino-acid aminotransferase, cytosolic, ...
Authors:Hillig, R.C.
Deposit date:2021-03-17
Release date:2022-11-02
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.15 Å)
Cite:BAY-069, a Novel (Trifluoromethyl)pyrimidinedione-Based BCAT1/2 Inhibitor and Chemical Probe.
J.Med.Chem., 65, 2022
6U2F
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BU of 6u2f by Molmil
PCSK9-Fab 7G7 complex bound to cis-1-amino-4-phenylcyclohexaneacyl-WNLK(hR)IGLLR - NH2
Descriptor: 7G7 heavy chain, 7G7 light chain, CALCIUM ION, ...
Authors:Ultsch, M.H, Kirchhofer, D.
Deposit date:2019-08-19
Release date:2020-02-05
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (2.94 Å)
Cite:Design of Organo-Peptides As Bipartite PCSK9 Antagonists.
Acs Chem.Biol., 15, 2020
8DBI
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BU of 8dbi by Molmil
Human PRPS1 with Phosphate, ATP, and R5P; Hexamer
Descriptor: 5-O-phosphono-alpha-D-ribofuranose, ADENOSINE-5'-TRIPHOSPHATE, MAGNESIUM ION, ...
Authors:Hvorecny, K.L, Kollman, J.M.
Deposit date:2022-06-14
Release date:2023-02-15
Last modified:2024-06-12
Method:ELECTRON MICROSCOPY (2 Å)
Cite:Human PRPS1 filaments stabilize allosteric sites to regulate activity.
Nat.Struct.Mol.Biol., 30, 2023
7XKF
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BU of 7xkf by Molmil
Cryo-EM structure of DHEA-ADGRG2-BT-Gs complex at lower state
Descriptor: 3-BETA-HYDROXY-5-ANDROSTEN-17-ONE, Adhesion G-protein coupled receptor G2, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, ...
Authors:Guo, S.C, Xiao, P, Lin, H, Sun, J.P, Yu, X.
Deposit date:2022-04-19
Release date:2022-08-10
Last modified:2023-03-15
Method:ELECTRON MICROSCOPY (2.4 Å)
Cite:Structures of the ADGRG2-G s complex in apo and ligand-bound forms.
Nat.Chem.Biol., 18, 2022
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
8IPT
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BU of 8ipt by Molmil
Cryo-EM structure of heme transporter CydDC from Escherichia coli in the occluded ATP bound state
Descriptor: ABC transporter, CydDC cysteine exporter (CydDC-E) family, permease/ATP-binding protein CydC, ...
Authors:Zhu, C, Li, J.
Deposit date:2023-03-14
Release date:2023-06-14
Last modified:2023-12-13
Method:ELECTRON MICROSCOPY (3.5 Å)
Cite:Cryo-EM structures of a prokaryotic heme transporter CydDC.
Protein Cell, 14, 2023

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數據於2024-10-09公開中

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