7JJQ
 
 | | Human Hemoglobin in Complex with Nitrosoamphetamine | | Descriptor: | (2R)-N-hydroxy-1-phenylpropan-2-amine, GLYCEROL, Hemoglobin subunit alpha, ... | | Authors: | Powell, S.M, Thomas, L.M, Richter-Addo, G.B. | | Deposit date: | 2020-07-27 | | Release date: | 2020-11-11 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (2.15 Å) | | Cite: | The nitrosoamphetamine metabolite is accommodated in the active site of human hemoglobin: Spectroscopy and crystal structure.
J.Inorg.Biochem., 213, 2020
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7JK4
 | | Structure of Drosophila ORC bound to AT-rich DNA and Cdc6 | | Descriptor: | ADENOSINE-5'-TRIPHOSPHATE, Cell division control protein, DNA (34-MER), ... | | Authors: | Schmidt, J.M, Bleichert, F. | | Deposit date: | 2020-07-27 | | Release date: | 2020-09-09 | | Last modified: | 2024-03-06 | | Method: | ELECTRON MICROSCOPY (3.4 Å) | | Cite: | Structural mechanism for replication origin binding and remodeling by a metazoan origin recognition complex and its co-loader Cdc6.
Nat Commun, 11, 2020
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7JK2
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7JK6
 | | Structure of Drosophila ORC in the active conformation | | Descriptor: | ADENOSINE-5'-TRIPHOSPHATE, MAGNESIUM ION, Origin recognition complex subunit 1, ... | | Authors: | Schmidt, J.M, Bleichert, F. | | Deposit date: | 2020-07-27 | | Release date: | 2020-09-09 | | Last modified: | 2024-03-06 | | Method: | ELECTRON MICROSCOPY (4 Å) | | Cite: | Structural mechanism for replication origin binding and remodeling by a metazoan origin recognition complex and its co-loader Cdc6.
Nat Commun, 11, 2020
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7JK3
 | | Structure of Drosophila ORC bound to GC-rich DNA and Cdc6 | | Descriptor: | ADENOSINE-5'-TRIPHOSPHATE, Cell division control protein, DNA (33-MER), ... | | Authors: | Schmidt, J.M, Bleichert, F. | | Deposit date: | 2020-07-27 | | Release date: | 2020-09-09 | | Last modified: | 2024-03-06 | | Method: | ELECTRON MICROSCOPY (3.4 Å) | | Cite: | Structural mechanism for replication origin binding and remodeling by a metazoan origin recognition complex and its co-loader Cdc6.
Nat Commun, 11, 2020
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7JK5
 | | Structure of Drosophila ORC bound to DNA | | Descriptor: | ADENOSINE-5'-TRIPHOSPHATE, DNA (32-MER), MAGNESIUM ION, ... | | Authors: | Schmidt, J.M, Bleichert, F. | | Deposit date: | 2020-07-27 | | Release date: | 2020-09-09 | | Last modified: | 2024-03-06 | | Method: | ELECTRON MICROSCOPY (3.9 Å) | | Cite: | Structural mechanism for replication origin binding and remodeling by a metazoan origin recognition complex and its co-loader Cdc6.
Nat Commun, 11, 2020
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7JJP
 | | Sheep Connexin-50 at 1.9 angstroms resolution by CryoEM | | Descriptor: | 1,2-DIMYRISTOYL-RAC-GLYCERO-3-PHOSPHOCHOLINE, Gap junction alpha-8 protein | | Authors: | Flores, J.A, Haddad, B.G, Dolan, K.D, Myers, J.B, Yoshioka, C.C, Copperman, J, Zuckerman, D.M, Reichow, S.L. | | Deposit date: | 2020-07-27 | | Release date: | 2020-09-09 | | Method: | ELECTRON MICROSCOPY (1.94 Å) | | Cite: | Connexin-46/50 in a dynamic lipid environment resolved by CryoEM at 1.9 angstrom.
Nat Commun, 11, 2020
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7CMB
 | | Crystal Structure of PAK4 in complex with inhibitor 41 | | Descriptor: | 1-(2-azanylpyrimidin-4-yl)-6-[2-(1-oxidanylcyclohexyl)ethynyl]indole-3-carboxamide, Serine/threonine-protein kinase PAK 4 | | Authors: | Zhao, F, Li, H. | | Deposit date: | 2020-07-26 | | Release date: | 2021-07-28 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (2.592 Å) | | Cite: | Discovery of 6-ethynyl-1H-indole-3-carboxamide Derivatives as Highly Potent and Selective p21-Activated Kinase 4 (PAK4) Inhibitors
to be published
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6ZVA
 | | Crystal structure of My5 | | Descriptor: | Myomesin-1, SULFATE ION | | Authors: | Sauer, F, Wilmanns, M. | | Deposit date: | 2020-07-24 | | Release date: | 2021-08-04 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (2.68 Å) | | Cite: | Crystal structure of Myomesin-1
To Be Published
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6ZV7
 | | Crystal Structure of Thrombin in complex with compound42b | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Hirudin-2, Prothrombin, ... | | Authors: | Schafer, M. | | Deposit date: | 2020-07-24 | | Release date: | 2020-08-26 | | Last modified: | 2024-05-01 | | Method: | X-RAY DIFFRACTION (1.94 Å) | | Cite: | Design, Synthesis, and Pharmacological Characterization of a Neutral, Non-Prodrug Thrombin Inhibitor with Good Oral Pharmacokinetics.
J.Med.Chem., 63, 2020
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6ZV8
 | | Crystal Structure of Thrombin in complex with compound51 | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Hirudin-2, Prothrombin, ... | | Authors: | Schafer, M. | | Deposit date: | 2020-07-24 | | Release date: | 2020-08-26 | | Last modified: | 2024-05-01 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Design, Synthesis, and Pharmacological Characterization of a Neutral, Non-Prodrug Thrombin Inhibitor with Good Oral Pharmacokinetics.
J.Med.Chem., 63, 2020
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6ZVJ
 | | Structure of a human ABCE1-bound 43S pre-initiation complex - State II | | Descriptor: | 18S ribosomal RNA, 40S ribosomal protein S10, 40S ribosomal protein S11, ... | | Authors: | Kratzat, H, Mackens-Kiani, T, Ameismeier, A, Cheng, J, Berninghausen, O, Becker, T, Beckmann, R. | | Deposit date: | 2020-07-24 | | Release date: | 2020-10-07 | | Last modified: | 2024-05-01 | | Method: | ELECTRON MICROSCOPY (3.8 Å) | | Cite: | A structural inventory of native ribosomal ABCE1-43S pre-initiation complexes.
Embo J., 40, 2021
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7JJ1
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7CM1
 | | Neuraminidase from the Wuhan Asiatic toad influenza virus | | Descriptor: | (3R,4R,5S)-4-(acetylamino)-5-amino-3-(pentan-3-yloxy)cyclohex-1-ene-1-carboxylic acid, CALCIUM ION, Neuraminidase | | Authors: | Wang, J. | | Deposit date: | 2020-07-23 | | Release date: | 2020-11-18 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (2.14 Å) | | Cite: | Lattice-translocation defects in specific crystals of the catalytic head domain of influenza neuraminidase.
Acta Crystallogr D Struct Biol, 76, 2020
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6ZUU
 | | Crystal structure of Thrombin in complex with compound30 | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Hirudin-2, Prothrombin, ... | | Authors: | Schafer, M. | | Deposit date: | 2020-07-23 | | Release date: | 2020-10-07 | | Last modified: | 2024-05-01 | | Method: | X-RAY DIFFRACTION (1.94 Å) | | Cite: | Design, Synthesis, and Pharmacological Characterization of a Neutral, Non-Prodrug Thrombin Inhibitor with Good Oral Pharmacokinetics.
J.Med.Chem., 63, 2020
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6ZUN
 | | Crystal Structure of Thrombin in complex with compound20a | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Hirudin-2, Prothrombin, ... | | Authors: | Schafer, M. | | Deposit date: | 2020-07-23 | | Release date: | 2020-08-26 | | Last modified: | 2024-05-01 | | Method: | X-RAY DIFFRACTION (1.793 Å) | | Cite: | Design, Synthesis, and Pharmacological Characterization of a Neutral, Non-Prodrug Thrombin Inhibitor with Good Oral Pharmacokinetics.
J.Med.Chem., 63, 2020
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6ZUX
 | | Crystal Structure of Thrombin in complex with compound42a | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Hirudin-2, Prothrombin, ... | | Authors: | Schafer, M. | | Deposit date: | 2020-07-23 | | Release date: | 2020-08-26 | | Last modified: | 2024-05-01 | | Method: | X-RAY DIFFRACTION (1.94 Å) | | Cite: | Design, Synthesis, and Pharmacological Characterization of a Neutral, Non-Prodrug Thrombin Inhibitor with Good Oral Pharmacokinetics.
J.Med.Chem., 63, 2020
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6ZUW
 | | Crystal Structure of Thrombin in complex with compound40 | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Hirudin-2, Prothrombin, ... | | Authors: | Schafer, M. | | Deposit date: | 2020-07-23 | | Release date: | 2020-08-26 | | Last modified: | 2024-05-01 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Design, Synthesis, and Pharmacological Characterization of a Neutral, Non-Prodrug Thrombin Inhibitor with Good Oral Pharmacokinetics.
J.Med.Chem., 63, 2020
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7JIJ
 | | ATP-bound AMP-activated protein kinase | | Descriptor: | 5'-AMP-activated protein kinase catalytic subunit alpha-1, 5'-AMP-activated protein kinase subunit beta-2, 5'-AMP-activated protein kinase subunit gamma-1, ... | | Authors: | Yan, Y, Zhou, X.E, Powell, K, Xu, T, Brunzelle, J.S, Xu, H.X, Melcher, K. | | Deposit date: | 2020-07-23 | | Release date: | 2021-07-28 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (5.5 Å) | | Cite: | Structure of an AMPK complex in an inactive, ATP-bound state.
Science, 373, 2021
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7JIK
 | | Human recombinant Beta-2-Glycoprotein 1 | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, Beta-2-glycoprotein 1, ... | | Authors: | Klenotic, P.A, Yu, E.W.Y. | | Deposit date: | 2020-07-23 | | Release date: | 2021-07-28 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (2.69 Å) | | Cite: | Beta-2-Glycoprotein I and it's role in APS
To Be Published
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7JII
 | | HRAS A59E GDP | | Descriptor: | CALCIUM ION, GTPase HRas, GUANOSINE-5'-DIPHOSPHATE, ... | | Authors: | Johnson, C.W, Haigis, K.M. | | Deposit date: | 2020-07-23 | | Release date: | 2022-03-02 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (1.532 Å) | | Cite: | Regulation of GTPase function by autophosphorylation.
Mol.Cell, 82, 2022
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7JIF
 | | HRAS A59T GppNHp | | Descriptor: | GLYCEROL, GTPase HRas, MAGNESIUM ION, ... | | Authors: | Johnson, C.W, Haigis, K.M. | | Deposit date: | 2020-07-23 | | Release date: | 2022-03-02 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (1.757 Å) | | Cite: | Regulation of GTPase function by autophosphorylation.
Mol.Cell, 82, 2022
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7JIG
 | | HRAS A59T GppNHp crystal 2 | | Descriptor: | GTPase HRas, MAGNESIUM ION, PHOSPHOAMINOPHOSPHONIC ACID-GUANYLATE ESTER | | Authors: | Johnson, C.W, Haigis, K.M. | | Deposit date: | 2020-07-23 | | Release date: | 2022-03-02 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (2.322 Å) | | Cite: | Regulation of GTPase function by autophosphorylation.
Mol.Cell, 82, 2022
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7JIH
 | | HRAS A59E GppNHp | | Descriptor: | GLYCEROL, GTPase HRas, MAGNESIUM ION, ... | | Authors: | Johnson, C.W, Haigis, K.M. | | Deposit date: | 2020-07-23 | | Release date: | 2022-03-02 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (1.989 Å) | | Cite: | Regulation of GTPase function by autophosphorylation.
Mol.Cell, 82, 2022
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6ZUG
 | | Crystal Structure of Thrombin in complex with compound10 | | Descriptor: | 2-[(3-chlorophenyl)methylamino]-7-methoxy-~{N}-[[(3~{S})-oxolan-3-yl]methyl]-~{N}-propyl-1,3-benzoxazole-5-carboxamide, 2-acetamido-2-deoxy-beta-D-glucopyranose, Hirudin-2, ... | | Authors: | Schafer, M. | | Deposit date: | 2020-07-22 | | Release date: | 2020-08-26 | | Last modified: | 2024-05-01 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Design, Synthesis, and Pharmacological Characterization of a Neutral, Non-Prodrug Thrombin Inhibitor with Good Oral Pharmacokinetics.
J.Med.Chem., 63, 2020
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