1DIU
 
 | | DIHYDROFOLATE REDUCTASE (E.C.1.5.1.3) COMPLEX WITH BRODIMOPRIM-4,6-DICARBOXYLATE | | Descriptor: | BRODIMOPRIM-4,6-DICARBOXYLATE, DIHYDROFOLATE REDUCTASE | | Authors: | Morgan, W.D, Birdsall, B, Polshakov, V.I, Sali, D, Kompis, I, Feeney, J. | | Deposit date: | 1995-08-01 | | Release date: | 1995-11-14 | | Last modified: | 2024-05-22 | | Method: | SOLUTION NMR | | Cite: | Solution structure of a brodimoprim analogue in its complex with Lactobacillus casei dihydrofolate reductase.
Biochemistry, 34, 1995
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1DXU
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1DMR
 | | OXIDIZED DMSO REDUCTASE FROM RHODOBACTER CAPSULATUS | | Descriptor: | 2-AMINO-5,6-DIMERCAPTO-7-METHYL-3,7,8A,9-TETRAHYDRO-8-OXA-1,3,9,10-TETRAAZA-ANTHRACEN-4-ONE GUANOSINE DINUCLEOTIDE, DMSO REDUCTASE, MOLYBDENUM(VI) ION, ... | | Authors: | Mcalpine, A.S, Bailey, S. | | Deposit date: | 1997-04-22 | | Release date: | 1998-03-18 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (1.82 Å) | | Cite: | Molybdenum Active Centre of Dmso Reductase from Rhodobacter Capsulatus: Crystal Structure of the Oxidised Enzyme at 1.82-A Resolution and the Dithionite-Reduced Enzyme at 2.8-A Resolution
J.Biol.Inorg.Chem., 2, 1997
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1DXT
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8JFZ
 | | Cryo-EM structure of Na+,K+-ATPase in the E1.Mg2+ state. | | Descriptor: | 1,2-DIOLEOYL-SN-GLYCERO-3-PHOSPHOCHOLINE, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-2)-alpha-D-mannopyranose-(1-3)-[alpha-D-mannopyranose-(1-6)]beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | | Authors: | Kanai, R, Vilsen, B, Cornelius, F, Toyoshima, C. | | Deposit date: | 2023-05-19 | | Release date: | 2023-08-09 | | Last modified: | 2023-08-16 | | Method: | ELECTRON MICROSCOPY (3.5 Å) | | Cite: | Crystal structures of Na + ,K + -ATPase reveal the mechanism that converts the K + -bound form to Na + -bound form and opens and closes the cytoplasmic gate.
Febs Lett., 597, 2023
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1DXV
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8JBM
 | | Crystal structure of Na+,K+-ATPase in the E1.Mn2+ state | | Descriptor: | 1,2-DIACYL-SN-GLYCERO-3-PHOSPHOCHOLINE, 1,2-DIOLEOYL-SN-GLYCERO-3-PHOSPHOCHOLINE, 2-acetamido-2-deoxy-beta-D-glucopyranose, ... | | Authors: | Kanai, R, Vilsen, B, Cornelius, F, Toyoshima, C. | | Deposit date: | 2023-05-09 | | Release date: | 2023-08-09 | | Last modified: | 2023-08-16 | | Method: | X-RAY DIFFRACTION (2.9 Å) | | Cite: | Crystal structures of Na + ,K + -ATPase reveal the mechanism that converts the K + -bound form to Na + -bound form and opens and closes the cytoplasmic gate.
Febs Lett., 597, 2023
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1DAK
 | | DETHIOBIOTIN SYNTHETASE FROM ESCHERICHIA COLI, COMPLEX REACTION INTERMEDIATE ADP AND MIXED ANHYDRIDE | | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, DETHIOBIOTIN SYNTHETASE, MAGNESIUM ION, ... | | Authors: | Kaeck, H, Gibson, K.J, Lindqvist, Y, Schneider, G. | | Deposit date: | 1998-03-31 | | Release date: | 1999-04-06 | | Last modified: | 2024-05-22 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | Snapshot of a phosphorylated substrate intermediate by kinetic crystallography.
Proc.Natl.Acad.Sci.USA, 95, 1998
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8JBL
 | | Crystal structure of Na+,K+-ATPase in the E1.Mg2+ state | | Descriptor: | 1,2-DIACYL-SN-GLYCERO-3-PHOSPHOCHOLINE, 1,2-DIOLEOYL-SN-GLYCERO-3-PHOSPHOCHOLINE, 2-acetamido-2-deoxy-beta-D-glucopyranose, ... | | Authors: | Kanai, R, Vilsen, B, Cornelius, F, Toyoshima, C. | | Deposit date: | 2023-05-09 | | Release date: | 2023-08-09 | | Last modified: | 2023-08-16 | | Method: | X-RAY DIFFRACTION (3 Å) | | Cite: | Crystal structures of Na + ,K + -ATPase reveal the mechanism that converts the K + -bound form to Na + -bound form and opens and closes the cytoplasmic gate.
Febs Lett., 597, 2023
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7W8F
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8ITA
 | | A reversible glycosyltransferase of tectorigenin - Bc7OUGT complexed with UDP and tectorigenin | | Descriptor: | 3-(4-hydroxyphenyl)-6-methoxy-5,7-bis(oxidanyl)chromen-4-one, Bc7OUGT, URIDINE-5'-DIPHOSPHATE | | Authors: | Zhang, Z.Y, Lu, L, Guan, Z.F, Cheng, W.J. | | Deposit date: | 2023-03-22 | | Release date: | 2023-08-23 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Functional characterization and structural basis of a reversible glycosyltransferase involves in plant chemical defence.
Plant Biotechnol J, 21, 2023
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8JBK
 | | Crystal structure of Na+,K+-ATPase in the E1.3Na+ state | | Descriptor: | 1,2-DIACYL-SN-GLYCERO-3-PHOSPHOCHOLINE, 1,2-DIOLEOYL-SN-GLYCERO-3-PHOSPHOCHOLINE, 2-acetamido-2-deoxy-beta-D-glucopyranose, ... | | Authors: | Kanai, R, Vilsen, B, Cornelius, F, Toyoshima, C. | | Deposit date: | 2023-05-09 | | Release date: | 2023-08-09 | | Last modified: | 2023-08-16 | | Method: | X-RAY DIFFRACTION (2.8 Å) | | Cite: | Crystal structures of Na + ,K + -ATPase reveal the mechanism that converts the K + -bound form to Na + -bound form and opens and closes the cytoplasmic gate.
Febs Lett., 597, 2023
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8IX0
 | | Cryo-EM structure of unprotonated LHCII nanodisc at high pH value | | Descriptor: | (1R,3R)-6-{(3E,5E,7E,9E,11E,13E,15E,17E)-18-[(1S,4R,6R)-4-HYDROXY-2,2,6-TRIMETHYL-7-OXABICYCLO[4.1.0]HEPT-1-YL]-3,7,12,16-TETRAMETHYLOCTADECA-1,3,5,7,9,11,13,15,17-NONAENYLIDENE}-1,5,5-TRIMETHYLCYCLOHEXANE-1,3-DIOL, (3R,3'R,6S)-4,5-DIDEHYDRO-5,6-DIHYDRO-BETA,BETA-CAROTENE-3,3'-DIOL, (3S,5R,6S,3'S,5'R,6'S)-5,6,5',6'-DIEPOXY-5,6,5',6'- TETRAHYDRO-BETA,BETA-CAROTENE-3,3'-DIOL, ... | | Authors: | Ruan, M.X, Ding, W. | | Deposit date: | 2023-03-31 | | Release date: | 2023-09-06 | | Last modified: | 2023-10-04 | | Method: | ELECTRON MICROSCOPY (2.64 Å) | | Cite: | Cryo-EM structures of LHCII in photo-active and photo-protecting states reveal allosteric regulation of light harvesting and excess energy dissipation.
Nat.Plants, 9, 2023
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1E1L
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8JPQ
 | | SARS-CoV-2 Mpro in complex with D-5-96 | | Descriptor: | ACETIC ACID, ALANINE, ISOLEUCINE, ... | | Authors: | Liu, M, Huang, H. | | Deposit date: | 2023-06-12 | | Release date: | 2023-08-23 | | Last modified: | 2024-06-12 | | Method: | X-RAY DIFFRACTION (2.7 Å) | | Cite: | The S1'-S3' Pocket of the SARS-CoV-2 Main Protease Is Critical for Substrate Selectivity and Can Be Targeted with Covalent Inhibitors.
Angew.Chem.Int.Ed.Engl., 62, 2023
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8IX2
 | | Cryo-EM structure of unprotonated LHCII nanodisc at low pH value | | Descriptor: | (1R,3R)-6-{(3E,5E,7E,9E,11E,13E,15E,17E)-18-[(1S,4R,6R)-4-HYDROXY-2,2,6-TRIMETHYL-7-OXABICYCLO[4.1.0]HEPT-1-YL]-3,7,12,16-TETRAMETHYLOCTADECA-1,3,5,7,9,11,13,15,17-NONAENYLIDENE}-1,5,5-TRIMETHYLCYCLOHEXANE-1,3-DIOL, (3R,3'R,6S)-4,5-DIDEHYDRO-5,6-DIHYDRO-BETA,BETA-CAROTENE-3,3'-DIOL, (3S,5R,6S,3'S,5'R,6'S)-5,6,5',6'-DIEPOXY-5,6,5',6'- TETRAHYDRO-BETA,BETA-CAROTENE-3,3'-DIOL, ... | | Authors: | Ruan, M.X, Ding, W. | | Deposit date: | 2023-03-31 | | Release date: | 2023-09-06 | | Last modified: | 2023-10-04 | | Method: | ELECTRON MICROSCOPY (2.8 Å) | | Cite: | Cryo-EM structures of LHCII in photo-active and photo-protecting states reveal allosteric regulation of light harvesting and excess energy dissipation.
Nat.Plants, 9, 2023
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1E1K
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8JJ8
 | | Cryo-EM structure of the beta2AR-mBRIL/1b3 Fab/Glue complex with a partial agonist | | Descriptor: | Beta-2 adrenergic receptor,Soluble cytochrome b562, ~{N}-[5-[(1~{R})-2-[[(2~{R})-1-(4-methoxyphenyl)propan-2-yl]amino]-1-oxidanyl-ethyl]-2-oxidanyl-phenyl]methanamide | | Authors: | He, B.B, Zhong, Y.X, Guo, Q, Tao, Y.Y. | | Deposit date: | 2023-05-29 | | Release date: | 2023-09-06 | | Last modified: | 2024-01-03 | | Method: | ELECTRON MICROSCOPY (3.2 Å) | | Cite: | A method for structure determination of GPCRs in various states.
Nat.Chem.Biol., 20, 2024
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7W0H
 | | Deactive state CI from Q10 dataset, Subclass 2 | | 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, 1,2-dioleoyl-sn-glycero-3-phosphoethanolamine, ADENOSINE-5'-DIPHOSPHATE, ... | | Authors: | Gu, J.K, Yang, M.J. | | Deposit date: | 2021-11-18 | | Release date: | 2022-12-14 | | Last modified: | 2023-06-28 | | Method: | ELECTRON MICROSCOPY (3.4 Å) | | Cite: | The coupling mechanism of mammalian mitochondrial complex I.
Nat.Struct.Mol.Biol., 29, 2022
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7VZW
 | | Active state CI from Q10 dataset, Subclass 2 | | 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, 1,2-dioleoyl-sn-glycero-3-phosphoethanolamine, ADENOSINE-5'-DIPHOSPHATE, ... | | Authors: | Gu, J.K, Yang, M.J. | | Deposit date: | 2021-11-16 | | Release date: | 2022-12-14 | | Last modified: | 2023-06-28 | | Method: | ELECTRON MICROSCOPY (3.2 Å) | | Cite: | The coupling mechanism of mammalian mitochondrial complex I.
Nat.Struct.Mol.Biol., 29, 2022
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7VZV
 | | Active state CI from Q10 dataset, Subclass 1 | | 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, 1,2-dioleoyl-sn-glycero-3-phosphoethanolamine, ADENOSINE-5'-DIPHOSPHATE, ... | | Authors: | Gu, J.K, Yang, M.J. | | Deposit date: | 2021-11-16 | | Release date: | 2022-12-14 | | Last modified: | 2023-06-28 | | Method: | ELECTRON MICROSCOPY (3.2 Å) | | Cite: | The coupling mechanism of mammalian mitochondrial complex I.
Nat.Struct.Mol.Biol., 29, 2022
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8JHU
 | | Legionella effector protein SidI | | Descriptor: | Legionella pneumophila effector protein SidI | | Authors: | Wang, L, Subramanian, A, Mukherjee, S, Walter, P. | | Deposit date: | 2023-05-25 | | Release date: | 2023-08-30 | | Last modified: | 2024-05-08 | | Method: | ELECTRON MICROSCOPY (3.1 Å) | | Cite: | A Legionella toxin exhibits tRNA mimicry and glycosyl transferase activity to target the translation machinery and trigger a ribotoxic stress response.
Nat.Cell Biol., 25, 2023
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1DOG
 | | REFINED STRUCTURE FOR THE COMPLEX OF 1-DEOXYNOJIRIMYCIN WITH GLUCOAMYLASE FROM (ASPERGILLUS AWAMORI) VAR. X100 TO 2.4 ANGSTROMS RESOLUTION | | Descriptor: | 1-DEOXYNOJIRIMYCIN, GLUCOAMYLASE-471, alpha-D-mannopyranose, ... | | Authors: | Harris, E, Aleshin, A, Firsov, L, Honzatko, R.B. | | Deposit date: | 1993-01-12 | | Release date: | 1994-01-31 | | Last modified: | 2020-07-29 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Refined structure for the complex of 1-deoxynojirimycin with glucoamylase from Aspergillus awamori var. X100 to 2.4-A resolution.
Biochemistry, 32, 1993
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8JMN
 | | Cryo-EM structure of the gastric proton pump with bound DQ-21 | | Descriptor: | 1,2-DIOLEOYL-SN-GLYCERO-3-PHOSPHOCHOLINE, 1-[4-[[2-[(4-chlorophenyl)methoxy]phenyl]methoxy]phenyl]-N-methyl-methanamine, 2-acetamido-2-deoxy-beta-D-glucopyranose, ... | | Authors: | Abe, K, Yokoshima, S, Yoshimori, A. | | Deposit date: | 2023-06-05 | | Release date: | 2023-08-30 | | Last modified: | 2023-10-04 | | Method: | ELECTRON MICROSCOPY (2.26 Å) | | Cite: | Deep learning driven de novo drug design based on gastric proton pump structures.
Commun Biol, 6, 2023
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7W3E
 | | Bovine cytochrome c oxidese in CN-bound fully reduced state at 50 K | | 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-[(STEAROYLOXY)METHYL]ETHYL (5E,8E,11E,14E)-ICOSA-5,8,11,14-TETRAENOATE, (7R,17E,20E)-4-HYDROXY-N,N,N-TRIMETHYL-9-OXO-7-[(PALMITOYLOXY)METHYL]-3,5,8-TRIOXA-4-PHOSPHAHEXACOSA-17,20-DIEN-1-AMINIUM 4-OXIDE, ... | | Authors: | Tsukihara, T, Shimada, A. | | Deposit date: | 2021-11-25 | | Release date: | 2022-12-07 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (1.45 Å) | | Cite: | Crystallographic cyanide-probing for cytochrome c oxidase reveals structural bases suggesting that a putative proton transfer H-pathway pumps protons.
J.Biol.Chem., 299, 2023
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