1QL7
 
 | | FACTOR XA SPECIFIC INHIBITOR IN COMPLEX WITH BOVINE TRYPSIN | | Descriptor: | CALCIUM ION, SULFATE ION, TRYPSIN, ... | | Authors: | Stubbs, M.T. | | Deposit date: | 1999-08-24 | | Release date: | 2000-08-25 | | Last modified: | 2017-07-05 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Ph-Dependent Binding Modes Observed in Trypsin Crystals: Lessons for the Structure-Based Drug Design
Chembiochem, 3, 2002
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5B6X
 | | A three dimensional movie of structural changes in bacteriorhodopsin: structure obtained 760 ns after photoexcitation | | Descriptor: | 2,3-DI-PHYTANYL-GLYCEROL, Bacteriorhodopsin, DECANE, ... | | Authors: | Royant, A, Nango, E, Nakane, T, Tanaka, T, Arima, T, Neutze, R, Iwata, S. | | Deposit date: | 2016-06-02 | | Release date: | 2016-12-21 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | A three-dimensional movie of structural changes in bacteriorhodopsin
Science, 354, 2016
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4R69
 | | Lactate Dehydrogenase in complex with inhibitor compound 13 | | Descriptor: | (5R)-2-[(2-chlorophenyl)sulfanyl]-5-[2,6-dichloro-3-(tetrahydro-2H-pyran-4-ylamino)phenyl]-3-hydroxycyclohex-2-en-1-one, 1,4-DIHYDRONICOTINAMIDE ADENINE DINUCLEOTIDE, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, ... | | Authors: | Eigenbrot, C, Ultsch, M. | | Deposit date: | 2014-08-22 | | Release date: | 2014-12-24 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (3.19 Å) | | Cite: | Optimization of 5-(2,6-dichlorophenyl)-3-hydroxy-2-mercaptocyclohex-2-enones as potent inhibitors of human lactate dehydrogenase.
Bioorg.Med.Chem.Lett., 25, 2014
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1QL9
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8HB5
 | | Crystal structure of Mincle in complex with HD-275 | | Descriptor: | (2~{R},3~{R},4~{S},5~{S},6~{R})-6-(methoxymethyl)oxane-2,3,4,5-tetrol, C-type lectin domain family 4 member E, CALCIUM ION | | Authors: | Ishizuka, S, Nagae, M, Yamasaki, S. | | Deposit date: | 2022-10-27 | | Release date: | 2023-08-09 | | Method: | X-RAY DIFFRACTION (2.6 Å) | | Cite: | PGL-III, a Rare Intermediate of Mycobacterium leprae Phenolic Glycolipid Biosynthesis, Is a Potent Mincle Ligand.
Acs Cent.Sci., 9, 2023
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1QB1
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5B6V
 | | A three dimensional movie of structural changes in bacteriorhodopsin: resting state structure | | Descriptor: | 2,3-DI-PHYTANYL-GLYCEROL, Bacteriorhodopsin, DECANE, ... | | Authors: | Nango, E, Royant, A, Nakane, T, Tanaka, T, Arima, T, Neutze, R, Iwata, S. | | Deposit date: | 2016-06-02 | | Release date: | 2016-12-21 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | A three-dimensional movie of structural changes in bacteriorhodopsin
Science, 354, 2016
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1QW4
 | | Crystal Structure of Murine Inducible Nitric Oxide Synthase Oxygenase Domain in complex with N-omega-propyl-L-arginine. | | Descriptor: | 5,6,7,8-TETRAHYDROBIOPTERIN, N-OMEGA-PROPYL-L-ARGININE, Nitric oxide synthase, ... | | Authors: | Fedorov, R, Hartmann, E, Ghosh, D.K, Schlichting, I. | | Deposit date: | 2003-08-31 | | Release date: | 2003-12-09 | | Last modified: | 2024-02-14 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Structural basis for the specificity of the nitric-oxide synthase inhibitors W1400 and Nomega-propyl-L-Arg for the inducible and neuronal isoforms.
J.Biol.Chem., 278, 2003
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8HJV
 | | Cryo-EM structure of carotenoid-depleted RC-LH complex from Roseiflexus castenholzii at 10,000 lux | | Descriptor: | (1R)-2-{[{[(2S)-2,3-DIHYDROXYPROPYL]OXY}(HYDROXY)PHOSPHORYL]OXY}-1-[(PALMITOYLOXY)METHYL]ETHYL (11E)-OCTADEC-11-ENOATE, 2-methyl-3-[(2E,6E,10E,14E,18E,22E,26E,30E,34E,38E)-3,7,11,15,19,23,27,31,35,39,43-undecamethyltetratetraconta-2,6,10,1 4,18,22,26,30,34,38,42-undecaen-1-yl]naphthalene-1,4-dione, Alpha subunit of light-harvesting 1, ... | | Authors: | Xu, X, Xin, J. | | Deposit date: | 2022-11-23 | | Release date: | 2023-09-20 | | Last modified: | 2023-10-04 | | Method: | ELECTRON MICROSCOPY (3.1 Å) | | Cite: | Carotenoid assembly regulates quinone diffusion and the Roseiflexus castenholzii reaction center-light harvesting complex architecture.
Elife, 12, 2023
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8HJU
 | | Cryo-EM structure of native RC-LH complex from Roseiflexus castenholzii at 10,000 lux | | Descriptor: | (1R)-2-{[{[(2S)-2,3-DIHYDROXYPROPYL]OXY}(HYDROXY)PHOSPHORYL]OXY}-1-[(PALMITOYLOXY)METHYL]ETHYL (11E)-OCTADEC-11-ENOATE, 2-methyl-3-[(2E,6E,10E,14E,18E,22E,26E,30E,34E,38E)-3,7,11,15,19,23,27,31,35,39,43-undecamethyltetratetraconta-2,6,10,1 4,18,22,26,30,34,38,42-undecaen-1-yl]naphthalene-1,4-dione, Alpha subunit of light-harvesting 1, ... | | Authors: | Xu, X, Xin, J. | | Deposit date: | 2022-11-23 | | Release date: | 2023-09-20 | | Last modified: | 2023-10-04 | | Method: | ELECTRON MICROSCOPY (2.8 Å) | | Cite: | Carotenoid assembly regulates quinone diffusion and the Roseiflexus castenholzii reaction center-light harvesting complex architecture.
Elife, 12, 2023
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8H6B
 | | Crystal structure of AtHPPD complexed with YH20702 | | Descriptor: | 4-hydroxyphenylpyruvate dioxygenase, COBALT (II) ION, N-(1-methyl-1,2,3,4-tetrazol-5-yl)-1-pentyl-pyrrolo[2,3-b]pyridine-4-carboxamide | | Authors: | Yang, G.-F. | | Deposit date: | 2022-10-16 | | Release date: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (1.897 Å) | | Cite: | Crystal structure of AtHPPD complexed with YH20702
To Be Published
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5B6W
 | | A three dimensional movie of structural changes in bacteriorhodopsin: structure obtained 16 ns after photoexcitation | | Descriptor: | 2,3-DI-PHYTANYL-GLYCEROL, Bacteriorhodopsin, DECANE, ... | | Authors: | Royant, A, Nango, E, Nakane, T, Tanaka, T, Arima, T, Neutze, R, Iwata, S. | | Deposit date: | 2016-06-02 | | Release date: | 2016-12-21 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | A three-dimensional movie of structural changes in bacteriorhodopsin
Science, 354, 2016
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5B6Z
 | | A three dimensional movie of structural changes in bacteriorhodopsin: structure obtained 1.725 ms us after photoexcitation | | Descriptor: | 2,3-DI-PHYTANYL-GLYCEROL, Bacteriorhodopsin, DECANE, ... | | Authors: | Royant, A, Nango, E, Nakane, T, Tanaka, T, Arima, T, Neutze, R, Iwata, S. | | Deposit date: | 2016-06-02 | | Release date: | 2016-12-21 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | A three-dimensional movie of structural changes in bacteriorhodopsin
Science, 354, 2016
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8HQ6
 | | KL2 in complex with CRM1-Ran-RanBP1 | | Descriptor: | CHLORIDE ION, CRM1 isoform 1, DIMETHYL SULFOXIDE, ... | | Authors: | Sun, Q, Jian, L. | | Deposit date: | 2022-12-13 | | Release date: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (2.03 Å) | | Cite: | Discovery of Aminoratjadone Derivatives as Potent Noncovalent CRM1 Inhibitors.
J.Med.Chem., 66, 2023
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8HQ3
 | | KL1 in complex with CRM1-Ran-RanBP1 | | Descriptor: | CHLORIDE ION, CRM1 isoform 1, DIMETHYL SULFOXIDE, ... | | Authors: | Sun, Q, Jian, L. | | Deposit date: | 2022-12-13 | | Release date: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Discovery of Aminoratjadone Derivatives as Potent Noncovalent CRM1 Inhibitors.
J.Med.Chem., 66, 2023
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8H6A
 | | Crystal structure of AtHPPD complexed with YH21477 | | Descriptor: | 1-[(2-chlorophenyl)methyl]-3-methyl-N-(1-methyl-1,2,3,4-tetrazol-5-yl)-2-oxidanylidene-benzimidazole-4-carboxamide, 4-hydroxyphenylpyruvate dioxygenase, COBALT (II) ION | | Authors: | Yang, G.-F. | | Deposit date: | 2022-10-16 | | Release date: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (1.601 Å) | | Cite: | Crystal structure of AtHPPD complexed with YH20702
To Be Published
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6Q03
 | | Crystal structure of MurA from Clostridium difficile in the presence of UDP-N-acetyl-alpha-D-muramic acid with modified Cys116 (S-[(1S)-1-carboxy-1-(phosphonooxy)ethyl]-L-cysteine) | | Descriptor: | (2R)-2-{[(2R,3R,4R,5S,6R)-3-(acetylamino)-2-{[(S)-{[(R)-{[(2R,3S,4R,5R)-5-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methoxy}(hydroxy)phosphoryl]oxy}(hydroxy)phosphoryl]oxy}-5-hydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-4-yl]oxy}propanoic acid, 1,2-ETHANEDIOL, UDP-N-acetylglucosamine 1-carboxyvinyltransferase | | Authors: | Dopkins, B.J, Call, C.J, Thoden, J.B, Holden, H.M. | | Deposit date: | 2019-08-01 | | Release date: | 2019-11-27 | | Last modified: | 2023-11-15 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Crystal structure of MurA from Clostridium difficile in the presence of UDP-N-acetyl-alpha-D-muramic acid with modified Cys116 (S-[(1S)-1-carboxy-1-(phosphonooxy)ethyl]-L-cysteine)
To Be Published
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8H79
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6Q0A
 | | Crystal structure of MurA from Clostridium difficile, mutation C116D, n the presence of UDP-N-acetylmuramic acid | | Descriptor: | (2R)-2-{[(2R,3R,4R,5S,6R)-3-(acetylamino)-2-{[(S)-{[(R)-{[(2R,3S,4R,5R)-5-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methoxy}(hydroxy)phosphoryl]oxy}(hydroxy)phosphoryl]oxy}-5-hydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-4-yl]oxy}propanoic acid, 1,2-ETHANEDIOL, UDP-N-acetylglucosamine 1-carboxyvinyltransferase | | Authors: | Dopkins, B.J, Call, C.J, Thoden, J.B, Holden, H.M. | | Deposit date: | 2019-08-01 | | Release date: | 2019-11-27 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (1.65 Å) | | Cite: | Crystal structure of MurA from Clostridium difficile, mutation C116D, n the presence of UDP-N-acetylmuramic acid
To Be Published
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8UGT
 | | E. eligens beta-glucuronidase bound to UNC10206581-G | | Descriptor: | 8-(4-beta-D-glucopyranuronosylpiperazin-1-yl)-5-(methylamino)-1,2,3,4-tetrahydro[1,2,3]triazino[4',5':4,5]thieno[2,3-c]isoquinoline, Beta-glucuronidase, GLYCEROL, ... | | Authors: | Simpson, J.B, Redinbo, M.R. | | Deposit date: | 2023-10-06 | | Release date: | 2024-07-24 | | Method: | X-RAY DIFFRACTION (2.65 Å) | | Cite: | Advanced piperazine-containing inhibitors target microbial beta-glucuronidases linked to gut toxicity
Rsc Chem Biol, 2024
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8FSD
 | | P130R mutant of soybean SHMT8 in complex with PLP-glycine and formylTHF | | Descriptor: | 1,2-ETHANEDIOL, N-GLYCINE-[3-HYDROXY-2-METHYL-5-PHOSPHONOOXYMETHYL-PYRIDIN-4-YL-METHANE], N-[4-({[(6S)-2-amino-5-formyl-4-oxo-3,4,5,6,7,8-hexahydropteridin-6-yl]methyl}amino)benzoyl]-L-glutamic acid, ... | | Authors: | Beamer, L.J, Korasick, D.A. | | Deposit date: | 2023-01-09 | | Release date: | 2023-10-18 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (1.49 Å) | | Cite: | Structural and functional analysis of two SHMT8 variants associated with soybean cyst nematode resistance.
Febs J., 291, 2024
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8FHI
 | | Wildtype rabbit TRPV5 in nanodiscs in complex with oleoyl coenzyme A, Open stated | | Descriptor: | (2S)-3-(hexadecanoyloxy)-2-[(9Z)-octadec-9-enoyloxy]propyl 2-(trimethylammonio)ethyl phosphate, ERGOSTEROL, S-{(3R,5R,9R)-1-[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-4-hydroxy-3-(phosphonooxy)tetrahydrofuran-2-yl]-3,5,9-trihydroxy-8,8-dimethyl-3,5-dioxido-10,14-dioxo-2,4,6-trioxa-11,15-diaza-3lambda~5~,5lambda~5~-diphosphaheptadecan-17-yl} (9Z)-octadec-9-enethioate (non-preferred name), ... | | Authors: | De Jesus-Perez, J.J, Moiseenkova-Bell, V.Y. | | Deposit date: | 2022-12-14 | | Release date: | 2023-11-01 | | Method: | ELECTRON MICROSCOPY (3.25 Å) | | Cite: | Structural basis of the activation of TRPV5 channels by long-chain acyl-Coenzyme-A.
Nat Commun, 14, 2023
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8FMF
 | | Structure of CBASS Cap5 from Pseudomonas syringae as an activated tetramer with the cyclic dinucleotide 3'2'-c-diAMP ligand (1 tetramer in the AU) | | Descriptor: | Cyclic (adenosine-(2'-5')-monophosphate-adenosine-(3'-5')-monophosphate, GLYCEROL, HEXAETHYLENE GLYCOL, ... | | Authors: | Rechkoblit, O, Kreitler, D.F, Aggarwal, A.K. | | Deposit date: | 2022-12-23 | | Release date: | 2024-02-07 | | Last modified: | 2024-05-29 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Activation of CBASS Cap5 endonuclease immune effector by cyclic nucleotides.
Nat.Struct.Mol.Biol., 31, 2024
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8FMG
 | | Structure of CBASS Cap5 from Pseudomonas syringae as an activated tetramer with the cyclic dinucleotide 3'2'-c-diAMP ligand (3 tetramers in the AU) | | Descriptor: | Cyclic (adenosine-(2'-5')-monophosphate-adenosine-(3'-5')-monophosphate, MAGNESIUM ION, SAVED domain-containing protein, ... | | Authors: | Rechkoblit, O, Kreitler, D.F, Aggarwal, A.K. | | Deposit date: | 2022-12-23 | | Release date: | 2024-02-07 | | Last modified: | 2024-05-29 | | Method: | X-RAY DIFFRACTION (1.79 Å) | | Cite: | Activation of CBASS Cap5 endonuclease immune effector by cyclic nucleotides.
Nat.Struct.Mol.Biol., 31, 2024
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8SI6
 | | Cryo-EM structure of TRPM7 in MSP2N2 nanodisc in complex with agonist naltriben in closed state | | Descriptor: | (2S)-3-(hexadecanoyloxy)-2-[(9Z)-octadec-9-enoyloxy]propyl 2-(trimethylammonio)ethyl phosphate, (4bS,8R,8aS,14bR)-7-(cyclopropylmethyl)-5,6,7,8,9,14b-hexahydro-8aH-4,8-methanobis[1]benzofuro[3,2-e:2',3'-g]isoquinoline-1,8a-diol, 2-[2-[(1~{S},2~{S},4~{S},5'~{R},6~{R},7~{S},8~{R},9~{S},12~{S},13~{R},16~{S})-5',7,9,13-tetramethylspiro[5-oxapentacyclo[10.8.0.0^{2,9}.0^{4,8}.0^{13,18}]icos-18-ene-6,2'-oxane]-16-yl]oxyethyl]propane-1,3-diol, ... | | Authors: | Nadezhdin, K.D, Neuberger, A, Sobolevsky, A.I. | | Deposit date: | 2023-04-14 | | Release date: | 2023-05-17 | | Last modified: | 2023-05-24 | | Method: | ELECTRON MICROSCOPY (2.44 Å) | | Cite: | Structural mechanisms of TRPM7 activation and inhibition.
Nat Commun, 14, 2023
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