8SD9
 
 | | Carbonic anhydrase II radiation damage RT 121-150 | | Descriptor: | Carbonic anhydrase 2, ZINC ION | | Authors: | Combs, J.E, Mckenna, R. | | Deposit date: | 2023-04-06 | | Release date: | 2024-03-13 | | Method: | X-RAY DIFFRACTION (1.904 Å) | | Cite: | XFEL structure of carbonic anhydrase II: a comparative study of XFEL, NMR, X-ray and neutron structures.
Acta Crystallogr D Struct Biol, 80, 2024
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4U6T
 | | Crystal structure of the Clostridium histolyticum colH collagenase polycystic kidney disease-like domain 2a at 1.76 Angstrom resolution | | Descriptor: | 3,6,9,12,15,18-HEXAOXAICOSANE-1,20-DIOL, ColH protein | | Authors: | Bauer, R, Janowska, K, Sakon, J, Matsushita, O, Latimer, E. | | Deposit date: | 2014-07-29 | | Release date: | 2015-03-11 | | Last modified: | 2023-12-27 | | Method: | X-RAY DIFFRACTION (1.76 Å) | | Cite: | Structures of three polycystic kidney disease-like domains from Clostridium histolyticum collagenases ColG and ColH.
Acta Crystallogr.,Sect.D, 71, 2015
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8S03
 | | NMR solution structure of the CysD2 domain of MUC2 | | Descriptor: | CALCIUM ION, Mucin-2 | | Authors: | Recktenwald, C, Karlsson, B.G, Garcia-Bonnete, M.-J, Katona, G, Jensen, M, Lymer, R, Baeckstroem, M, Johansson, M.E.V, Hansson, G.C, Trillo-Muyo, S. | | Deposit date: | 2024-02-13 | | Release date: | 2024-04-17 | | Last modified: | 2024-05-22 | | Method: | SOLUTION NMR | | Cite: | The structure of the second CysD domain of MUC2 and role in mucin organization by transglutaminase-based cross-linking.
Cell Rep, 43, 2024
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8SAF
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4UFF
 | | Thrombin in complex with (2R)-2-(benzylsulfonylamino)-N-(2-((4- carbamimidoylphenyl)methylamino)-2-oxo-ethyl)-N-methyl-3-phenyl- propanamide | | Descriptor: | (2R)-2-(benzylsulfonylamino)-N-(2-((4-carbamimidoylphenyl)methylamino)-2-oxo-ethyl)-N-methyl-3-phenyl-propanamide, 2-acetamido-2-deoxy-beta-D-glucopyranose, HIRUDIN VARIANT-2, ... | | Authors: | Ruehmann, E, Heine, A, Klebe, G. | | Deposit date: | 2015-03-16 | | Release date: | 2016-01-27 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (1.55 Å) | | Cite: | Boosting Affinity by Correct Ligand Preorganization for the S2 Pocket of Thrombin: A Study by Isothermal Titration Calorimetry, Molecular Dynamics, and High-Resolution Crystal Structures.
Chemmedchem, 11, 2016
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8SF1
 | | Carbonic anhydrase II XFEL radiation damage RT | | Descriptor: | Carbonic anhydrase 2, ZINC ION | | Authors: | Combs, J.E, Mckenna, R. | | Deposit date: | 2023-04-10 | | Release date: | 2024-03-13 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | XFEL structure of carbonic anhydrase II: a comparative study of XFEL, NMR, X-ray and neutron structures.
Acta Crystallogr D Struct Biol, 80, 2024
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8SD8
 | | Carbonic anhydrase II radiation damage RT 91-120 | | Descriptor: | Carbonic anhydrase 2, ZINC ION | | Authors: | Combs, J.E, Mckenna, R. | | Deposit date: | 2023-04-06 | | Release date: | 2024-03-13 | | Method: | X-RAY DIFFRACTION (1.789 Å) | | Cite: | XFEL structure of carbonic anhydrase II: a comparative study of XFEL, NMR, X-ray and neutron structures.
Acta Crystallogr D Struct Biol, 80, 2024
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4UD0
 | | X-ray structure and activities of an essential Mononegavirales L- protein domain | | Descriptor: | RNA-DIRECTED RNA POLYMERASE L, S-ADENOSYL-L-HOMOCYSTEINE, SULFATE ION, ... | | Authors: | Paesen, G.C, Collet, A, Sallamand, C, Debart, F, Vasseur, J.J, Canard, B, Decroly, E, Grimes, J.M. | | Deposit date: | 2014-12-05 | | Release date: | 2015-11-18 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (3.2 Å) | | Cite: | X-Ray Structure and Activities of an Essential Mononegavirales L-Protein Domain.
Nat.Commun., 6, 2015
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4U6Q
 | | CtBP1 bound to inhibitor 2-(hydroxyimino)-3-phenylpropanoic acid | | Descriptor: | (2E)-2-(hydroxyimino)-3-phenylpropanoic acid, 1,4-DIHYDRONICOTINAMIDE ADENINE DINUCLEOTIDE, C-terminal-binding protein 1, ... | | Authors: | Hilbert, B.J, Morris, B.L, Ellis, K.C, Paulsen, J.L, Schiffer, C.A, Grossman, S.R, Royer Jr, W.E. | | Deposit date: | 2014-07-29 | | Release date: | 2015-02-11 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Structure-Guided Design of a High Affinity Inhibitor to Human CtBP.
Acs Chem.Biol., 10, 2015
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8SH4
 | | Crystal structure of the tRNA (m1G37) methyltransferase apoenzyme from Anaplasma phagocytophilum | | Descriptor: | GLYCEROL, tRNA (guanine-N(1)-)-methyltransferase | | Authors: | Jannotta, C, Edele, D, Levanti, D, Carson, M, Prucha, G, Caesar, J, Picchiello, C, Collins, K, Garland, E, Handley-Pendleton, J, Hernandez, V, Leffler, S, Williams, D, Stojanoff, V, Perez, A, Halloran, J, Bolen, R. | | Deposit date: | 2023-04-13 | | Release date: | 2024-04-17 | | Method: | X-RAY DIFFRACTION (2.9 Å) | | Cite: | Crystal structure of the m1G37 tRNA methyltransferase apoenzyme from Anaplasma phagocytophilum
To Be Published
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4UCL
 | | X-ray structure and activities of an essential Mononegavirales L- protein domain | | Descriptor: | RNA-DIRECTED RNA POLYMERASE L, SULFATE ION, ZINC ION | | Authors: | Paesen, G.C, Collet, A, Sallamand, C, Debart, F, Vasseur, J.J, Canard, B, Decroly, E, Grimes, J.M. | | Deposit date: | 2014-12-03 | | Release date: | 2015-11-18 | | Last modified: | 2019-04-24 | | Method: | X-RAY DIFFRACTION (2.8 Å) | | Cite: | X-Ray Structure and Activities of an Essential Mononegavirales L-Protein Domain.
Nat.Commun., 6, 2015
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4UCY
 | | X-ray structure and activities of an essential Mononegavirales L- protein domain | | Descriptor: | RNA-DIRECTED RNA POLYMERASE L, SULFATE ION, ZINC ION | | Authors: | Paesen, G.C, Collet, A, Sallamand, C, Debart, F, Vasseur, J.J, Canard, B, Decroly, E, Grimes, J.M. | | Deposit date: | 2014-12-05 | | Release date: | 2015-11-18 | | Last modified: | 2019-04-24 | | Method: | X-RAY DIFFRACTION (2.83 Å) | | Cite: | X-Ray Structure and Activities of an Essential Mononegavirales L-Protein Domain.
Nat.Commun., 6, 2015
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4UFD
 | | Thrombin in complex with 4-(((1-((2S)-1-((2R)-2-(benzylsulfonylamino)- 3-phenyl-propanoyl)pyrrolidin-2-yl)-1-oxo-ethyl)amino)methyl) benzamidine | | Descriptor: | (2S)-N-[(4-carbamimidoylphenyl)methyl]-1-[(2R)-3-phenyl-2-[(phenylmethyl)sulfonylamino]propanoyl]pyrrolidine-2-carboxamide, 2-acetamido-2-deoxy-beta-D-glucopyranose, GLYCEROL, ... | | Authors: | Ruehmann, E, Heine, A, Klebe, G. | | Deposit date: | 2015-03-16 | | Release date: | 2016-01-27 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (1.429 Å) | | Cite: | Boosting Affinity by Correct Ligand Preorganization for the S2 Pocket of Thrombin: A Study by Isothermal Titration Calorimetry, Molecular Dynamics, and High-Resolution Crystal Structures.
Chemmedchem, 11, 2016
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4UFG
 | | Thrombin in complex with (2R)-2-(benzylsulfonylamino)-N-((1S)-2-((4- carbamimidoylphenyl)methylamino)-1-methyl-2-oxo-ethyl)-N-methyl-3- phenyl-propanamide ethane | | Descriptor: | (2S)-N-[(4-carbamimidoylphenyl)methyl]-2-[methyl-[(2R)-3-phenyl-2-[(phenylmethyl)sulfonylamino]propanoyl]amino]butanamide, 2-acetamido-2-deoxy-beta-D-glucopyranose, HIRUDIN VARIANT-2, ... | | Authors: | Ruehmann, E, Heine, A, Klebe, G. | | Deposit date: | 2015-03-17 | | Release date: | 2016-01-27 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (1.65 Å) | | Cite: | Boosting Affinity by Correct Ligand Preorganization for the S2 Pocket of Thrombin: A Study by Isothermal Titration Calorimetry, Molecular Dynamics, and High-Resolution Crystal Structures.
Chemmedchem, 11, 2016
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4UFE
 | | Thrombin in complex with (2R)-2-(benzylsulfonylamino)-N-(2-((4- carbamimidoylphenyl)methylamino)-2-oxo-butyl)-3-phenyl-propanamide | | Descriptor: | (2R)-N-[(2S)-1-[(4-carbamimidoylphenyl)methylamino]-1-oxidanylidene-propan-2-yl]-3-phenyl-2-[(phenylmethyl)sulfonylamino]propanamide, 2-acetamido-2-deoxy-beta-D-glucopyranose, HIRUDIN VARIANT-2, ... | | Authors: | Ruehmann, E, Heine, A, Klebe, G. | | Deposit date: | 2015-03-16 | | Release date: | 2016-01-27 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (1.593 Å) | | Cite: | Boosting Affinity by Correct Ligand Preorganization for the S2 Pocket of Thrombin: A Study by Isothermal Titration Calorimetry, Molecular Dynamics, and High-Resolution Crystal Structures.
Chemmedchem, 11, 2016
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4UCJ
 | | X-ray structure and activities of an essential Mononegavirales L- protein domain | | Descriptor: | RNA-DIRECTED RNA POLYMERASE L, SULFATE ION, ZINC ION | | Authors: | Paesen, G.C, Collet, A, Sallamand, C, Debart, F, Vasseur, J.J, Canard, B, Decroly, E, Grimes, J.M. | | Deposit date: | 2014-12-03 | | Release date: | 2015-11-18 | | Last modified: | 2019-04-24 | | Method: | X-RAY DIFFRACTION (3.26 Å) | | Cite: | X-Ray Structure and Activities of an Essential Mononegavirales L-Protein Domain.
Nat.Commun., 6, 2015
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4UCI
 | | X-ray structure and activities of an essential Mononegavirales L- protein domain | | Descriptor: | ADENOSINE, GLYCEROL, GUANOSINE-5'-TRIPHOSPHATE, ... | | Authors: | Paesen, G.C, Collet, A, Sallamand, C, Debart, F, Vasseur, J.J, Canard, B, Decroly, E, Grimes, J.M. | | Deposit date: | 2014-12-03 | | Release date: | 2015-10-14 | | Last modified: | 2019-04-24 | | Method: | X-RAY DIFFRACTION (2.21 Å) | | Cite: | X-Ray Structure and Activities of an Essential Mononegavirales L-Protein Domain.
Nat.Commun., 6, 2015
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4UMC
 | | Structural analysis of substrate-mimicking inhibitors in complex with Neisseria meningitidis 3-deoxy-D-arabino-heptulosonate 7-phosphate synthase - the importance of accommodating the active site water | | Descriptor: | L-PHOSPHOLACTATE, MANGANESE (II) ION, PHOSPHATE ION, ... | | Authors: | Heyes, L.C, Reichau, S, Cross, P.J, Parker, E.J. | | Deposit date: | 2014-05-16 | | Release date: | 2014-10-08 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (2.34 Å) | | Cite: | Structural Analysis of Substrate-Mimicking Inhibitors in Complex with Neisseria Meningitidis 3-Deoxy-D-Arabino-Heptulosonate 7-Phosphate Synthase - the Importance of Accommodating the Active Site Water.
Bioorg.Chem., 57, 2014
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4UJ4
 | | Crystal structure of human Rab11-Rabin8-FIP3 | | Descriptor: | MAGNESIUM ION, PHOSPHOAMINOPHOSPHONIC ACID-GUANYLATE ESTER, Rab-3A-interacting protein, ... | | Authors: | Vetter, M, Lorentzen, E. | | Deposit date: | 2015-04-08 | | Release date: | 2015-08-12 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (4.2 Å) | | Cite: | Structure of Rab11-FIP3-Rabin8 reveals simultaneous binding of FIP3 and Rabin8 effectors to Rab11.
Nat. Struct. Mol. Biol., 22, 2015
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4UJ3
 | | Crystal structure of human Rab11-Rabin8-FIP3 | | Descriptor: | MAGNESIUM ION, PHOSPHOAMINOPHOSPHONIC ACID-GUANYLATE ESTER, RAB-3A-INTERACTING PROTEIN, ... | | Authors: | Vetter, M, Lorentzen, E. | | Deposit date: | 2015-04-08 | | Release date: | 2015-08-12 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (3 Å) | | Cite: | Structure of Rab11-Fip3-Rabin8 Reveals Simultaneous Binding of Fip3 and Rabin8 Effectors to Rab11.
Nat.Struct.Mol.Biol., 22, 2015
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4UDD
 | | GR in complex with desisobutyrylciclesonide | | Descriptor: | 1,2-ETHANEDIOL, 3-[(3-CHOLAMIDOPROPYL)DIMETHYLAMMONIO]-1-PROPANESULFONATE, DESISOBUYTYRYL CICLESONIDE, ... | | Authors: | Edman, K, Hogner, A, Hussein, A, Bjursell, M, Aagaard, A, Backstrom, S, Bodin, C, Wissler, L, Jellesmark-Jensen, T, Cavallin, A, Karlsson, U, Nilsson, E, Lecina, D, Takahashi, R, Grebner, C, Lepisto, M, Guallar, V. | | Deposit date: | 2014-12-09 | | Release date: | 2015-11-25 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Ligand Binding Mechanism in Steroid Receptors: From Conserved Plasticity to Differential Evolutionary Constraints.
Structure, 23, 2015
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4UDB
 | | MR in complex with desisobutyrylciclesonide | | Descriptor: | DESISOBUYTYRYL CICLESONIDE, DIMETHYL SULFOXIDE, GLYCEROL, ... | | Authors: | Edman, K, Hogner, A, Hussein, A, Aagaard, A, Backstrom, S, Bodin, C, Wissler, L, JellesmarkJensen, T, Cavallin, A, Nilsson, E, Lepisto, M, Guallar, V. | | Deposit date: | 2014-12-09 | | Release date: | 2015-11-25 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (2.36 Å) | | Cite: | Ligand Binding Mechanism in Steroid Receptors: From Conserved Plasticity to Differential Evolutionary Constraints.
Structure, 23, 2015
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4UDC
 | | GR in complex with dexamethasone | | Descriptor: | 3-[(3-CHOLAMIDOPROPYL)DIMETHYLAMMONIO]-1-PROPANESULFONATE, DEXAMETHASONE, GLUCOCORTICOID RECEPTOR, ... | | Authors: | Edman, K, Hogner, A, Hussein, A, Bjursell, M, Aagaard, A, Backstrom, S, Bodin, C, Wissler, L, Jellesmark-Jensen, T, Cavallin, A, Karlsson, U, Nilsson, E, Lecina, D, Takahashi, R, Grebner, C, Lepisto, M, Guallar, V. | | Deposit date: | 2014-12-09 | | Release date: | 2015-11-25 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Ligand Binding Mechanism in Steroid Receptors: From Conserved Plasticity to Differential Evolutionary Constraints.
Structure, 23, 2015
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4UMB
 | | Structural analysis of substrate-mimicking inhibitors in complex with Neisseria meningitidis 3-deoxy-D-arabino-heptulosonate 7-phosphate synthase - the importance of accommodating the active site water | | Descriptor: | (2R)-2-(phosphonooxy)propanoic acid, MANGANESE (II) ION, PHOSPHATE ION, ... | | Authors: | Heyes, L.C, Reichau, S, Cross, P.J, Parker, E.J. | | Deposit date: | 2014-05-16 | | Release date: | 2014-10-08 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (2.17 Å) | | Cite: | Structural Analysis of Substrate-Mimicking Inhibitors in Complex with Neisseria Meningitidis 3-Deoxy-D-Arabino-Heptulosonate 7-Phosphate Synthase - the Importance of Accommodating the Active Site Water.
Bioorg.Chem., 57, 2014
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4UZ1
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