7D02
 
 | | Lysozyme structure SASE2 from SASE mode | | Descriptor: | Lysozyme C | | Authors: | Kang, H.S, Lee, S.J. | | Deposit date: | 2020-09-09 | | Release date: | 2021-03-31 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (1.65 Å) | | Cite: | High-brightness self-seeded X-ray free-electron laser covering the 3.5 keV to 14.6 keV range
Nat Photonics, 2021
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7D01
 | | Lysozyme structure SS2 from SS mode | | Descriptor: | Lysozyme C | | Authors: | Kang, H.S, Lee, S.J. | | Deposit date: | 2020-09-09 | | Release date: | 2021-03-31 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (1.65 Å) | | Cite: | High-brightness self-seeded X-ray free-electron laser covering the 3.5 keV to 14.6 keV range
Nat Photonics, 2021
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1TW8
 | | HincII bound to Ca2+ and cognate DNA GTCGAC | | Descriptor: | 5'-D(*GP*CP*CP*GP*GP*TP*CP*GP*AP*CP*CP*GP*G)-3', CALCIUM ION, Hinc II endonuclease, ... | | Authors: | Etzkorn, C, Horton, N.C. | | Deposit date: | 2004-06-30 | | Release date: | 2004-08-10 | | Last modified: | 2023-08-23 | | Method: | X-RAY DIFFRACTION (2.8 Å) | | Cite: | Ca2+ binding in the active site of HincII: implications for the catalytic mechanism
Biochemistry, 43, 2004
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1ZQH
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1ZQG
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1ZQS
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7YS7
 | | RET oncogene primer G4-DNA in 100mMNa+ | | Descriptor: | DNA (5'-D(*GP*GP*GP*GP*CP*GP*GP*GP*GP*CP*GP*GP*GP*GP*CP*GP*GP*GP*GP*T)-3') | | Authors: | Yin, S, Cao, C. | | Deposit date: | 2022-08-11 | | Release date: | 2023-09-06 | | Last modified: | 2024-05-15 | | Method: | SOLUTION NMR | | Cite: | RET oncogene primer G-quadruplex in Na+
To Be Published
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8B01
 | | Cryo-EM structure of the Tripartite ATP-independent Periplasmic (TRAP) transporter SiaQM from Photobacterium profundum in a nanodisc | | Descriptor: | DECANE, DOCOSANE, HEXANE, ... | | Authors: | Davies, J.S, North, R.A, Dobson, R.C.J. | | Deposit date: | 2022-09-06 | | Release date: | 2023-03-15 | | Method: | ELECTRON MICROSCOPY (3.03 Å) | | Cite: | Structure and mechanism of a tripartite ATP-independent periplasmic TRAP transporter.
Nat Commun, 14, 2023
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3F4I
 | | Crystal Structure of LeuT bound to L-selenomethionine and sodium | | Descriptor: | SELENOMETHIONINE, SODIUM ION, Transporter, ... | | Authors: | Singh, S.K, Piscitelli, C.L, Yamashita, A, Gouaux, E. | | Deposit date: | 2008-10-31 | | Release date: | 2008-12-23 | | Last modified: | 2023-11-15 | | Method: | X-RAY DIFFRACTION (1.95 Å) | | Cite: | A competitive inhibitor traps LeuT in an open-to-out conformation.
Science, 322, 2008
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6T3Q
 | | Thrombin in Complex with a D-Phe-Pro-2-aminopyridine derivative | | Descriptor: | (2~{S})-1-[(2~{R})-2-azanyl-3-phenyl-propanoyl]-~{N}-[(2-azanylpyridin-4-yl)methyl]pyrrolidine-2-carboxamide, 2-acetamido-2-deoxy-beta-D-glucopyranose, GLYCEROL, ... | | Authors: | Ngo, K, Collins, C, Heine, A, Klebe, G. | | Deposit date: | 2019-10-11 | | Release date: | 2020-05-13 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.33 Å) | | Cite: | Protein-Induced Change in Ligand Protonation during Trypsin and Thrombin Binding: Hint on Differences in Selectivity Determinants of Both Proteins?
J.Med.Chem., 63, 2020
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6T4A
 | | Thrombin in Complex with a D-Phe-Pro-p-aminopyridine derivative | | Descriptor: | (2~{S})-1-[(2~{R})-2-azanyl-3-phenyl-propanoyl]-~{N}-[(6-azanylpyridin-3-yl)methyl]pyrrolidine-2-carboxamide, 2-acetamido-2-deoxy-beta-D-glucopyranose, GLYCEROL, ... | | Authors: | Ngo, K, Collins, C, Heine, A, Klebe, G. | | Deposit date: | 2019-10-13 | | Release date: | 2020-05-13 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.31 Å) | | Cite: | Protein-Induced Change in Ligand Protonation during Trypsin and Thrombin Binding: Hint on Differences in Selectivity Determinants of Both Proteins?
J.Med.Chem., 63, 2020
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7XMF
 | | Cryo-EM structure of human NaV1.7/beta1/beta2-Nav1.7-IN2 | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 3-[[4-[3-(4-fluoranyl-2-methyl-phenoxy)azetidin-1-yl]pyrimidin-2-yl]amino]-~{N}-methyl-benzamide, ... | | Authors: | Zhang, J.T, Jiang, D.H. | | Deposit date: | 2022-04-25 | | Release date: | 2022-11-30 | | Last modified: | 2022-12-28 | | Method: | ELECTRON MICROSCOPY (3.07 Å) | | Cite: | Structural basis for Na V 1.7 inhibition by pore blockers.
Nat.Struct.Mol.Biol., 29, 2022
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3T8J
 | | Structural analysis of thermostable S. solfataricus pyrimidine-specific nucleoside hydrolase | | Descriptor: | Purine nucleosidase, (IunH-1), SODIUM ION | | Authors: | Minici, C, Cacciapuoti, G, De Leo, E, Porcelli, M, Degano, M. | | Deposit date: | 2011-08-01 | | Release date: | 2012-05-16 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | New Determinants in the Catalytic Mechanism of Nucleoside Hydrolases from the Structures of Two Isozymes from Sulfolobus solfataricus.
Biochemistry, 51, 2012
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1DGD
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5A25
 | | Rational engineering of a mesophilic carbonic anhydrase to an extreme halotolerant biocatalyst | | Descriptor: | CARBONIC ANHYDRASE 2, GLYCEROL, SODIUM ION, ... | | Authors: | Warden, A, Newman, J, Peat, T.S, Seabrook, S, Williams, M, Dojchinov, G, Haritos, V. | | Deposit date: | 2015-05-12 | | Release date: | 2015-05-20 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Rational Engineering of a Mesohalophilic Carbonic Anhydrase to an Extreme Halotolerant Biocatalyst.
Nat.Commun., 6, 2015
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7VKE
 | | Crystal structure of human CD38 ECD in complex with UniDab(TM) F11A | | Descriptor: | 1,2-ETHANEDIOL, ADP-ribosyl cyclase/cyclic ADP-ribose hydrolase 1, CHLORIDE ION, ... | | Authors: | Schooten, W.V, Schellenberger, U, Ugamraj, H.S, Manicka, S, Bijpuria, S, Gondu, R.K. | | Deposit date: | 2021-09-29 | | Release date: | 2022-08-03 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | TNB-738, a biparatopic antibody, boosts intracellular NAD+ by inhibiting CD38 ecto-enzyme activity.
Mabs, 14, 2022
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5VB8
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6HSX
 | | Thrombin in Complex with a D-Phe-Pro-diaminopyridine derivative | | Descriptor: | (2~{S})-1-[(2~{R})-2-azanyl-3-phenyl-propanoyl]-~{N}-[[2,6-bis(azanyl)pyridin-4-yl]methyl]pyrrolidine-2-carboxamide, 2-acetamido-2-deoxy-beta-D-glucopyranose, DIMETHYL SULFOXIDE, ... | | Authors: | Ngo, K, Heine, A, Klebe, G. | | Deposit date: | 2018-10-02 | | Release date: | 2019-10-23 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.56 Å) | | Cite: | Protein-Induced Change in Ligand Protonation during Trypsin and Thrombin Binding: Hint on Differences in Selectivity Determinants of Both Proteins?
J.Med.Chem., 63, 2020
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6TDT
 | | Thrombin in Complex with a D-DiPhe-Pro-p-pyridine derivative | | Descriptor: | (2~{S})-1-[(2~{R})-2-azanyl-3,3-diphenyl-propanoyl]-~{N}-(pyridin-4-ylmethyl)pyrrolidine-2-carboxamide, 2-acetamido-2-deoxy-beta-D-glucopyranose, DIMETHYL SULFOXIDE, ... | | Authors: | Ngo, K, Heine, A, Klebe, G. | | Deposit date: | 2019-11-10 | | Release date: | 2020-05-13 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.53 Å) | | Cite: | Protein-Induced Change in Ligand Protonation during Trypsin and Thrombin Binding: Hint on Differences in Selectivity Determinants of Both Proteins?
J.Med.Chem., 63, 2020
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5X6Q
 | | Crystal structure of Pseudomonas fluorescens KMO in complex with Ro 61-8048 | | Descriptor: | 3,4-dimethoxy-N-[4-(3-nitrophenyl)-1,3-thiazol-2-yl]benzenesulfonamide, FLAVIN-ADENINE DINUCLEOTIDE, Kynurenine 3-monooxygenase | | Authors: | Kim, H.T, Hwang, K.Y. | | Deposit date: | 2017-02-23 | | Release date: | 2018-02-21 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (1.897 Å) | | Cite: | Structural Basis for Inhibitor-Induced Hydrogen Peroxide Production by Kynurenine 3-Monooxygenase
Cell Chem Biol, 25, 2018
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5X9U
 | | Crystal structure of group III chaperonin in the open state | | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, Thermosome, alpha subunit | | Authors: | An, Y.J, Cha, S.S. | | Deposit date: | 2017-03-09 | | Release date: | 2017-10-25 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (4.001 Å) | | Cite: | Structural and mechanistic characterization of an archaeal-like chaperonin from a thermophilic bacterium
Nat Commun, 8, 2017
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7VXR
 | | Crystal structure of BPSL1038 from Burkholderia pseudomallei | | Descriptor: | BPSL1038, SODIUM ION | | Authors: | Shaibullah, S, Mohd-Sharif, M, Ho, K.L, Firdaus-Raih, M, Nathan, S, Mohamed, R, Teh, A.K, Waterman, J, Ng, C.L. | | Deposit date: | 2021-11-13 | | Release date: | 2023-08-16 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (1.55 Å) | | Cite: | Structural and functional analyses of Burkholderia pseudomallei BPSL1038 reveal a Cas-2/VapD nuclease sub-family.
Commun Biol, 6, 2023
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7VXT
 | | Crystal structure of a selenomethionine-labeled BPSL1038 from Burkholderia pseudomallei | | Descriptor: | BETA-MERCAPTOETHANOL, BPSL1038, SODIUM ION | | Authors: | Shaibullah, S, Mohd-Sharif, M, Ho, K.L, Firdaus-Raih, M, Nathan, S, Mohamed, R, Teh, A.K, Waterman, J, Ng, C.L. | | Deposit date: | 2021-11-13 | | Release date: | 2023-08-16 | | Last modified: | 2023-11-15 | | Method: | X-RAY DIFFRACTION (1.88 Å) | | Cite: | Structural and functional analyses of Burkholderia pseudomallei BPSL1038 reveal a Cas-2/VapD nuclease sub-family.
Commun Biol, 6, 2023
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5X6R
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3I78
 | | 35/99/170/186/220-loops of FXa in SGT | | Descriptor: | BENZAMIDINE, SODIUM ION, SULFATE ION, ... | | Authors: | Page, M.J, Di Cera, E. | | Deposit date: | 2009-07-08 | | Release date: | 2010-06-02 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (3 Å) | | Cite: | Combinatorial Enzyme Design Probes Allostery and Cooperativity in the Trypsin Fold.
J.Mol.Biol., 399, 2010
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