6QT8
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![BU of 6qt8 by Molmil](/molmil-images/mine/6qt8) | Crystal structure of Rea1-MIDAS domain from Chaetomium thermophilum | Descriptor: | GLYCEROL, IODIDE ION, Midasin, ... | Authors: | Ahmed, Y.L, Thoms, M, Hurt, E, Sinning, I. | Deposit date: | 2019-02-22 | Release date: | 2019-08-07 | Last modified: | 2024-05-15 | Method: | X-RAY DIFFRACTION (2.33 Å) | Cite: | Crystal structures of Rea1-MIDAS bound to its ribosome assembly factor ligands resembling integrin-ligand-type complexes. Nat Commun, 10, 2019
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4TZC
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![BU of 4tzc by Molmil](/molmil-images/mine/4tzc) | Crystal Structure of Murine Cereblon in Complex with Thalidomide | Descriptor: | Protein cereblon, S-Thalidomide, SULFATE ION, ... | Authors: | Chamberlain, P.P, Pagarigan, B, Delker, S, Leon, B. | Deposit date: | 2014-07-10 | Release date: | 2014-08-06 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (1.88 Å) | Cite: | Structural Basis for Responsiveness to Thalidomide-Analog Drugs Defined by the Crystal Structure of the Human Cereblon:DDB1:Lenalidomide Complex to be published
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4UFF
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![BU of 4uff by Molmil](/molmil-images/mine/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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4UFD
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![BU of 4ufd by Molmil](/molmil-images/mine/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
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![BU of 4ufg by Molmil](/molmil-images/mine/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
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![BU of 4ufe by Molmil](/molmil-images/mine/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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6SAN
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![BU of 6san by Molmil](/molmil-images/mine/6san) | SALSA / DMBT1 / GP340 SRCR domain 8 soaked in calcium and magnesium | Descriptor: | CHLORIDE ION, Deleted in malignant brain tumors 1 protein, GLYCEROL, ... | Authors: | Reichhardt, M.P, Johnson, S, Loimaranta, V, Lea, S.M. | Deposit date: | 2019-07-17 | Release date: | 2020-03-18 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.36 Å) | Cite: | Structures of SALSA/DMBT1 SRCR domains reveal the conserved ligand-binding mechanism of the ancient SRCR fold. Life Sci Alliance, 3, 2020
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6SA5
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![BU of 6sa5 by Molmil](/molmil-images/mine/6sa5) | SALSA / DMBT1 / GP340 SRCR domain 8 | Descriptor: | Deleted in malignant brain tumors 1 protein, GLYCEROL, MAGNESIUM ION, ... | Authors: | Reichhardt, M.P, Johnson, S, Loimaranta, V, Lea, S.M. | Deposit date: | 2019-07-16 | Release date: | 2020-03-18 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.29 Å) | Cite: | Structures of SALSA/DMBT1 SRCR domains reveal the conserved ligand-binding mechanism of the ancient SRCR fold. Life Sci Alliance, 3, 2020
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8I41
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![BU of 8i41 by Molmil](/molmil-images/mine/8i41) | |
8I48
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![BU of 8i48 by Molmil](/molmil-images/mine/8i48) | Cryo-EM structure of nanodisc (PE:PS:PC) reconstituted GLIC at pH 4 in closed state | Descriptor: | 1,2-dioleoyl-sn-glycero-3-phosphoethanolamine, CHLORIDE ION, Proton-gated ion channel | Authors: | Bharambe, N, Li, Z, Basak, S. | Deposit date: | 2023-01-18 | Release date: | 2024-04-17 | Method: | ELECTRON MICROSCOPY (2.74 Å) | Cite: | Cryo-EM structures of prokaryotic ligand-gated ion channel GLIC provide insights into gating in a lipid environment. Nat Commun, 15, 2024
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6SA4
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![BU of 6sa4 by Molmil](/molmil-images/mine/6sa4) | SALSA / DMBT1 / GP340 SRCR domain 1 | Descriptor: | CHLORIDE ION, Deleted in malignant brain tumors 1 protein, GLYCEROL, ... | Authors: | Reichhardt, M.P, Lea, S.M, Johnson, S. | Deposit date: | 2019-07-16 | Release date: | 2020-03-18 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.77 Å) | Cite: | Structures of SALSA/DMBT1 SRCR domains reveal the conserved ligand-binding mechanism of the ancient SRCR fold. Life Sci Alliance, 3, 2020
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8PPE
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![BU of 8ppe by Molmil](/molmil-images/mine/8ppe) | Human inositol 1,4,5-trisphosphate 3-kinase A (IP3K) catalytic domain in complex with DL-6-deoxy-6-phosphoryloxymethyl-scyllo-inositol 1,2,4-trisphosphate/ADP/Mn | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, DL-6-deoxy-6-phosphoryloxymethyl-scyllo-inositol 1,2,4-trisphosphate, GLYCEROL, ... | Authors: | Marquez-Monino, M.A, Gonzalez, B. | Deposit date: | 2023-07-07 | Release date: | 2024-02-28 | Last modified: | 2024-03-27 | Method: | X-RAY DIFFRACTION (1.59 Å) | Cite: | Substrate promiscuity of inositol 1,4,5-trisphosphate kinase driven by structurally-modified ligands and active site plasticity. Nat Commun, 15, 2024
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8PPB
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![BU of 8ppb by Molmil](/molmil-images/mine/8ppb) | Human inositol 1,4,5-trisphosphate 3-kinase A (IP3K) catalytic domain in complex with D-3-deoxy-myo-inositol 1,4,6-trisphosphate/ATP/Mn | Descriptor: | ADENOSINE-5'-TRIPHOSPHATE, D-3-deoxy-myo-inositol 1,4,6-trisphosphate, Inositol-trisphosphate 3-kinase A, ... | Authors: | Marquez-Monino, M.A, Gonzalez, B. | Deposit date: | 2023-07-07 | Release date: | 2024-02-28 | Last modified: | 2024-03-27 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Substrate promiscuity of inositol 1,4,5-trisphosphate kinase driven by structurally-modified ligands and active site plasticity. Nat Commun, 15, 2024
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8PPC
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![BU of 8ppc by Molmil](/molmil-images/mine/8ppc) | Human inositol 1,4,5-trisphosphate 3-kinase A (IP3K) catalytic domain in complex with L-chiro-inositol 2,3,5-trisphosphate/ATP/Mn | Descriptor: | ADENOSINE-5'-TRIPHOSPHATE, Inositol-trisphosphate 3-kinase A, L-chiro-inositol 2,3,5-trisphosphate, ... | Authors: | Marquez-Monino, M.A, Gonzalez, B. | Deposit date: | 2023-07-07 | Release date: | 2024-02-28 | Last modified: | 2024-03-27 | Method: | X-RAY DIFFRACTION (1.92 Å) | Cite: | Substrate promiscuity of inositol 1,4,5-trisphosphate kinase driven by structurally-modified ligands and active site plasticity. Nat Commun, 15, 2024
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8PP9
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![BU of 8pp9 by Molmil](/molmil-images/mine/8pp9) | Human inositol 1,4,5-trisphosphate 3-kinase A (IP3K) catalytic domain in complex with scyllo-inositol 1,2,3,5-tetrakisphosphate/ADP/Mn | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, Inositol-trisphosphate 3-kinase A, MANGANESE (II) ION, ... | Authors: | Marquez-Monino, M.A, Gonzalez, B. | Deposit date: | 2023-07-07 | Release date: | 2024-02-28 | Last modified: | 2024-03-27 | Method: | X-RAY DIFFRACTION (1.73 Å) | Cite: | Substrate promiscuity of inositol 1,4,5-trisphosphate kinase driven by structurally-modified ligands and active site plasticity. Nat Commun, 15, 2024
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8PPA
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![BU of 8ppa by Molmil](/molmil-images/mine/8ppa) | Human inositol 1,4,5-trisphosphate 3-kinase A (IP3K) catalytic domain in complex with D-myo-inositol 1,4,6-trisphosphate/AMP-PNP/Mn | Descriptor: | D-myo-inositol 1,4,6-trisphosphate, Inositol-trisphosphate 3-kinase A, MANGANESE (II) ION, ... | Authors: | Marquez-Monino, M.A, Gonzalez, B. | Deposit date: | 2023-07-07 | Release date: | 2024-02-28 | Last modified: | 2024-03-27 | Method: | X-RAY DIFFRACTION (1.73 Å) | Cite: | Substrate promiscuity of inositol 1,4,5-trisphosphate kinase driven by structurally-modified ligands and active site plasticity. Nat Commun, 15, 2024
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8JE2
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![BU of 8je2 by Molmil](/molmil-images/mine/8je2) | Cryo-EM structure of neddylated Cul2-Rbx1-EloBC-FEM1B complexed with FNIP1-FLCN | Descriptor: | Cullin-2, Elongin-B, Elongin-C, ... | Authors: | Dai, Z, Liang, L, Yin, Y.X. | Deposit date: | 2023-05-15 | Release date: | 2024-02-28 | Last modified: | 2024-04-03 | Method: | ELECTRON MICROSCOPY (3.63 Å) | Cite: | Structural insights into the ubiquitylation strategy of the oligomeric CRL2 FEM1B E3 ubiquitin ligase. Embo J., 43, 2024
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8JJ3
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![BU of 8jj3 by Molmil](/molmil-images/mine/8jj3) | Cryo-EM structure of nanodisc (PE:PS:PC) reconstituted GLIC at pH 2.5 | Descriptor: | 1,2-dioleoyl-sn-glycero-3-phosphoethanolamine, CHLORIDE ION, Proton-gated ion channel | Authors: | Bharambe, N, Li, Z, Basak, S. | Deposit date: | 2023-05-29 | Release date: | 2024-04-17 | Method: | ELECTRON MICROSCOPY (2.6476 Å) | Cite: | Cryo-EM structures of prokaryotic ligand-gated ion channel GLIC provide insights into gating in a lipid environment. Nat Commun, 15, 2024
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4YOF
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![BU of 4yof by Molmil](/molmil-images/mine/4yof) | DosS GAFA Domain Reduced Nitric Oxide Bound Crystal Structure | Descriptor: | NITRIC OXIDE, PROTOPORPHYRIN IX CONTAINING FE, Redox sensor histidine kinase response regulator DevS | Authors: | Madrona, Y. | Deposit date: | 2015-03-11 | Release date: | 2016-03-23 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Analysis of cytochrome P450 CYP119 ligand-dependent conformational dynamics by two-dimensional NMR and X-ray crystallography. J.Biol.Chem., 290, 2015
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1CCI
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![BU of 1cci by Molmil](/molmil-images/mine/1cci) | HOW FLEXIBLE ARE PROTEINS? TRAPPING OF A FLEXIBLE LOOP | Descriptor: | 2,3-DIMETHYLIMIDAZOLIUM ION, CYTOCHROME C PEROXIDASE, PROTOPORPHYRIN IX CONTAINING FE | Authors: | Cao, Y, Musah, R.A, Wilcox, S.K, Goodin, D.B, Mcree, D.E. | Deposit date: | 1996-12-18 | Release date: | 1997-07-07 | Last modified: | 2024-05-22 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | A ligand-gated, hinged loop rearrangement opens a channel to a buried artificial protein cavity. Nat.Struct.Biol., 3, 1996
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1AET
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![BU of 1aet by Molmil](/molmil-images/mine/1aet) | VARIATION IN THE STRENGTH OF A CH TO O HYDROGEN BOND IN AN ARTIFICIAL PROTEIN CAVITY (1-METHYLIMIDAZOLE) | Descriptor: | 1-METHYLIMIDAZOLE, CYTOCHROME C PEROXIDASE, PROTOPORPHYRIN IX CONTAINING FE | Authors: | Musah, R.A, Jensen, G.M, Bunte, S.W, Rosenfeld, R, Mcree, D.E, Goodin, D.B. | Deposit date: | 1997-02-25 | Release date: | 1997-09-04 | Last modified: | 2024-05-22 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | A ligand-gated, hinged loop rearrangement opens a channel to a buried artificial protein cavity. Nat.Struct.Biol., 3, 1996
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8PPI
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![BU of 8ppi by Molmil](/molmil-images/mine/8ppi) | Human inositol 1,4,5-trisphosphate 3-kinase A (IP3K) catalytic domain in complex with beta-D-glucopyranosylmethanol 3,4,1'-trisphosphate/ATP/Mn | Descriptor: | ADENOSINE-5'-TRIPHOSPHATE, Inositol-trisphosphate 3-kinase A, MANGANESE (II) ION, ... | Authors: | Marquez-Monino, M.A, Gonzalez, B. | Deposit date: | 2023-07-07 | Release date: | 2024-02-28 | Last modified: | 2024-03-27 | Method: | X-RAY DIFFRACTION (1.65 Å) | Cite: | Substrate promiscuity of inositol 1,4,5-trisphosphate kinase driven by structurally-modified ligands and active site plasticity. Nat Commun, 15, 2024
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8PPF
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![BU of 8ppf by Molmil](/molmil-images/mine/8ppf) | Human inositol 1,4,5-trisphosphate 3-kinase A (IP3K) catalytic domain in complex with beta-D-glucopyranosyl 1,3,4-trisphosphate/AMP-PNP/Mg | Descriptor: | Inositol-trisphosphate 3-kinase A, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER, SULFATE ION, ... | Authors: | Marquez-Monino, M.A, Gonzalez, B. | Deposit date: | 2023-07-07 | Release date: | 2024-02-28 | Last modified: | 2024-03-27 | Method: | X-RAY DIFFRACTION (1.85 Å) | Cite: | Substrate promiscuity of inositol 1,4,5-trisphosphate kinase driven by structurally-modified ligands and active site plasticity. Nat Commun, 15, 2024
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8PPD
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![BU of 8ppd by Molmil](/molmil-images/mine/8ppd) | Human inositol 1,4,5-trisphosphate 3-kinase A (IP3K) catalytic domain in complex with DL-6-deoxy-6-hydroxy-methyl-scyllo-inositol 1,2,4-trisphosphate/ATP/Mn | Descriptor: | ADENOSINE-5'-TRIPHOSPHATE, DL-6-deoxy-6-hydroxy-methyl-scyllo-inositol 1,2,4-trisphosphate, Inositol-trisphosphate 3-kinase A, ... | Authors: | Marquez-Monino, M.A, Gonzalez, B. | Deposit date: | 2023-07-07 | Release date: | 2024-02-28 | Last modified: | 2024-03-27 | Method: | X-RAY DIFFRACTION (1.77 Å) | Cite: | Substrate promiscuity of inositol 1,4,5-trisphosphate kinase driven by structurally-modified ligands and active site plasticity. Nat Commun, 15, 2024
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8PPH
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![BU of 8pph by Molmil](/molmil-images/mine/8pph) | Human inositol 1,4,5-trisphosphate 3-kinase A (IP3K) catalytic domain in complex with alpha-D-glucopyranosyl 1,3,4-trisphosphate/ATP/Mn | Descriptor: | ADENOSINE-5'-TRIPHOSPHATE, Inositol-trisphosphate 3-kinase A, MANGANESE (II) ION, ... | Authors: | Marquez-Monino, M.A, Gonzalez, B. | Deposit date: | 2023-07-07 | Release date: | 2024-02-28 | Last modified: | 2024-03-27 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Substrate promiscuity of inositol 1,4,5-trisphosphate kinase driven by structurally-modified ligands and active site plasticity. Nat Commun, 15, 2024
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