5JNU
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![BU of 5jnu by Molmil](/molmil-images/mine/5jnu) | Crystal structure of mouse Low-Molecular Weight Protein Tyrosine Phosphatase type A (LMPTP-A) complexed with phosphate | Descriptor: | Low molecular weight phosphotyrosine protein phosphatase, PHOSPHATE ION | Authors: | Stanford, S.M, Aleshin, A.E, Liddington, R.C, Bankston, L, Cadwell, G, Bottini, N. | Deposit date: | 2016-04-30 | Release date: | 2017-03-29 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (2.535 Å) | Cite: | Diabetes reversal by inhibition of the low-molecular-weight tyrosine phosphatase. Nat. Chem. Biol., 13, 2017
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5JNS
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![BU of 5jns by Molmil](/molmil-images/mine/5jns) | Crystal structure of human low molecular weight protein tyrosine phosphatase (LMPTP) type A complexed with phosphate | Descriptor: | DIMETHYL SULFOXIDE, Low molecular weight phosphotyrosine protein phosphatase, PHOSPHATE ION | Authors: | Stanford, S.M, Aleshin, A.E, Liddington, R.C, Bankston, L, Cadwell, G, Bottini, N. | Deposit date: | 2016-04-30 | Release date: | 2017-03-29 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Diabetes reversal by inhibition of the low-molecular-weight tyrosine phosphatase. Nat. Chem. Biol., 13, 2017
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4R5V
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![BU of 4r5v by Molmil](/molmil-images/mine/4r5v) | |
4G09
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![BU of 4g09 by Molmil](/molmil-images/mine/4g09) | |
4R5T
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4R6T
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6HL4
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![BU of 6hl4 by Molmil](/molmil-images/mine/6hl4) | wild-type NuoEF from Aquifex aeolicus - reduced form | Descriptor: | CHLORIDE ION, FE2/S2 (INORGANIC) CLUSTER, FLAVIN MONONUCLEOTIDE, ... | Authors: | Gerhardt, S, Friedrich, T, Einsle, O, Gnandt, E, Schulte, M, Fiegen, D. | Deposit date: | 2018-09-10 | Release date: | 2019-06-26 | Last modified: | 2024-05-01 | Method: | X-RAY DIFFRACTION (2.06 Å) | Cite: | A mechanism to prevent production of reactive oxygen species by Escherichia coli respiratory complex I. Nat Commun, 10, 2019
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6HLI
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![BU of 6hli by Molmil](/molmil-images/mine/6hli) | wild-type NuoEF from Aquifex aeolicus - reduced form bound to NAD+ | Descriptor: | FE2/S2 (INORGANIC) CLUSTER, FLAVIN MONONUCLEOTIDE, IRON/SULFUR CLUSTER, ... | Authors: | Gerhardt, S, Friedrich, T, Einsle, O, Gnandt, E, Schulte, M, Fiegen, D. | Deposit date: | 2018-09-11 | Release date: | 2019-06-26 | Last modified: | 2024-05-01 | Method: | X-RAY DIFFRACTION (2.38 Å) | Cite: | A mechanism to prevent production of reactive oxygen species by Escherichia coli respiratory complex I. Nat Commun, 10, 2019
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5I50
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![BU of 5i50 by Molmil](/molmil-images/mine/5i50) | Structure of OmoMYC bound to double-stranded DNA | Descriptor: | DNA (5'-D(P*CP*AP*CP*CP*CP*GP*GP*TP*CP*AP*CP*GP*TP*GP*GP*CP*CP*TP*AP*CP*AP*C)-3'), DNA (5'-D(P*GP*TP*GP*TP*AP*GP*GP*CP*CP*AP*CP*GP*TP*GP*AP*CP*CP*GP*GP*GP*TP*G)-3'), Myc proto-oncogene protein | Authors: | Koelmel, W, Jung, L.A, Kuper, J, Eilers, M, Kisker, C. | Deposit date: | 2016-02-13 | Release date: | 2016-10-26 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.701 Å) | Cite: | OmoMYC blunts promoter invasion by oncogenic MYC to inhibit gene expression characteristic of MYC-dependent tumors. Oncogene, 36, 2017
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4R7M
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4D3O
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![BU of 4d3o by Molmil](/molmil-images/mine/4d3o) | Structure of Bacillus subtilis Nitric Oxide Synthase in complex with 6-(3-(2-(1H-Pyrrolo(2,3-b)pyridin-6-yl)ethyl)-5-(aminomethyl) phenethyl)-4-methylpyridin-2-amine | Descriptor: | 6-(2-{3-(aminomethyl)-5-[2-(1H-pyrrolo[2,3-b]pyridin-6-yl)ethyl]phenyl}ethyl)-4-methylpyridin-2-amine, CHLORIDE ION, GLYCEROL, ... | Authors: | Holden, J.K, Poulos, T.L. | Deposit date: | 2014-10-23 | Release date: | 2015-01-14 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Structure-Based Design of Bacterial Nitric Oxide Synthase Inhibitors. J.Med.Chem., 58, 2015
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1XA8
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![BU of 1xa8 by Molmil](/molmil-images/mine/1xa8) | Crystal Structure Analysis of Glutathione-dependent formaldehyde-activating enzyme (Gfa) | Descriptor: | GLUTATHIONE, GLYCEROL, Glutathione-dependent formaldehyde-activating enzyme, ... | Authors: | Neculai, A.M, Neculai, D, Griesinger, C, Vorholt, J.A, Becker, S. | Deposit date: | 2004-08-25 | Release date: | 2004-11-23 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | A dynamic zinc redox switch J.Biol.Chem., 280, 2005
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5WMD
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![BU of 5wmd by Molmil](/molmil-images/mine/5wmd) | N-terminal bromodomain of BRD4 in complex with OTX-015 | Descriptor: | 2-[(6S)-4-(4-chlorophenyl)-2,3,9-trimethyl-6H-thieno[3,2-f][1,2,4]triazolo[4,3-a][1,4]diazepin-6-yl]-N-(4-hydroxyphenyl)acetamide, Bromodomain-containing protein 4 | Authors: | Zhang, Y. | Deposit date: | 2017-07-28 | Release date: | 2018-08-01 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (1.27 Å) | Cite: | BRD4 Profiling Identifies Critical Chronic Lymphocytic Leukemia Oncogenic Circuits and Reveals Sensitivity to PLX51107, a Novel Structurally Distinct BET Inhibitor. Cancer Discov, 8, 2018
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4RAP
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![BU of 4rap by Molmil](/molmil-images/mine/4rap) | Crystal structure of bacterial iron-containing dodecameric glycosyltransferase TibC from enterotoxigenic E.coli H10407 | Descriptor: | 1,2-ETHANEDIOL, FE (III) ION, Glycosyltransferase TibC | Authors: | Yao, Q, Lu, Q, Xu, Y, Shao, F. | Deposit date: | 2014-09-10 | Release date: | 2014-10-29 | Method: | X-RAY DIFFRACTION (2.881 Å) | Cite: | A structural mechanism for bacterial autotransporter glycosylation by a dodecameric heptosyltransferase family. Elife, 3, 2014
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8VXE
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![BU of 8vxe by Molmil](/molmil-images/mine/8vxe) | Structure of p38 alpha (Mitogen-activated protein kinase 14) complexed with inhibitor 6 | Descriptor: | (4M)-4-[3-(4-fluorophenyl)-1-methyl-1H-pyrazol-4-yl]-1H-pyrrolo[2,3-b]pyridine, Mitogen-activated protein kinase 14 | Authors: | Blaesse, M, Steinbacher, S, Shaffer, P.L, Sharma, S, Thompson, A.A. | Deposit date: | 2024-02-04 | Release date: | 2024-05-08 | Method: | X-RAY DIFFRACTION (1.85 Å) | Cite: | Structure-Based Optimization of Selective and Brain Penetrant CK1 delta Inhibitors for the Treatment of Circadian Disruptions. Acs Med.Chem.Lett., 15, 2024
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5JNW
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![BU of 5jnw by Molmil](/molmil-images/mine/5jnw) | Crystal structure of bovine low molecular weight protein tyrosine phosphatase (LMPTP) mutant (W49Y N50E) complexed with vanadate and uncompetitive inhibitor | Descriptor: | 2-(4-{[3-(piperidin-1-yl)propyl]amino}quinolin-2-yl)benzonitrile, Low molecular weight phosphotyrosine protein phosphatase, VANADATE ION | Authors: | Stanford, S.M, Aleshin, A.E, Liddington, R.C, Bankston, L, Cadwell, G, Bottini, N. | Deposit date: | 2016-04-30 | Release date: | 2017-03-29 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (1.86 Å) | Cite: | Diabetes reversal by inhibition of the low-molecular-weight tyrosine phosphatase. Nat. Chem. Biol., 13, 2017
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5WMG
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![BU of 5wmg by Molmil](/molmil-images/mine/5wmg) | N-terminal bromodomain of BRD4 in complex with OTX-015 | Descriptor: | 1,2-ETHANEDIOL, 4-{6-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[(1S)-1-(pyridin-2-yl)ethyl]-1H-pyrrolo[3,2-b]pyridin-3-yl}benzoic acid, Bromodomain-containing protein 4 | Authors: | Zhang, Y. | Deposit date: | 2017-07-28 | Release date: | 2018-08-01 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (1.19 Å) | Cite: | BRD4 Profiling Identifies Critical Chronic Lymphocytic Leukemia Oncogenic Circuits and Reveals Sensitivity to PLX51107, a Novel Structurally Distinct BET Inhibitor. Cancer Discov, 8, 2018
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6VYD
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![BU of 6vyd by Molmil](/molmil-images/mine/6vyd) | Terpenoid Cyclase FgGS in Complex with Mg, Inorganic Pyrophosphate, and Benzyltriethylammonium cation | Descriptor: | 1,2-ETHANEDIOL, CHLORIDE ION, MAGNESIUM ION, ... | Authors: | Herbst-Gervasoni, C.J, Christianson, D.W. | Deposit date: | 2020-02-26 | Release date: | 2020-07-08 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (1.46 Å) | Cite: | Discovery of the cryptic function of terpene cyclases as aromatic prenyltransferases. Nat Commun, 11, 2020
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5JNV
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![BU of 5jnv by Molmil](/molmil-images/mine/5jnv) | Crystal structure of bovine low molecular weight protein tyrosine phosphatase (LMPTP) mutant (W49Y N50E) complexed with HEPES | Descriptor: | 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, DIMETHYL SULFOXIDE, Low molecular weight phosphotyrosine protein phosphatase | Authors: | Stanford, S.M, Aleshin, A.E, Liddington, R.C, Bankston, L, Cadwell, G, Bottini, N. | Deposit date: | 2016-04-30 | Release date: | 2017-03-29 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Diabetes reversal by inhibition of the low-molecular-weight tyrosine phosphatase. Nat. Chem. Biol., 13, 2017
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5HBS
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![BU of 5hbs by Molmil](/molmil-images/mine/5hbs) | Crystal structure of human cellular retinol binding protein 1 in complex with all-trans-retinol at 0.89 angstrom. | Descriptor: | RETINOL, Retinol-binding protein 1 | Authors: | Golczak, M, Arne, J.M, Silvaroli, J.A, Kiser, P.D, Banerjee, S. | Deposit date: | 2016-01-02 | Release date: | 2016-03-02 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (0.89 Å) | Cite: | Ligand Binding Induces Conformational Changes in Human Cellular Retinol-binding Protein 1 (CRBP1) Revealed by Atomic Resolution Crystal Structures. J.Biol.Chem., 291, 2016
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2IOA
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![BU of 2ioa by Molmil](/molmil-images/mine/2ioa) | E. coli Bifunctional glutathionylspermidine synthetase/amidase Incomplex with Mg2+ and ADP and phosphinate inhibitor | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, Bifunctional glutathionylspermidine synthetase/amidase, D-GAMMA-GLUTAMYL-N-{[(R)-{4-[(4-AMINOBUTYL)AMINO]BUTYL}(PHOSPHONOOXY)PHOSPHORYL]METHYL}-D-ALANINAMIDE, ... | Authors: | Pai, C.H, Chiang, B.Y, Ko, T.P, Chou, C.C, Chong, C.M, Yen, F.J, Coward, J.K, Wang, A.H.-J, Lin, C.H. | Deposit date: | 2006-10-10 | Release date: | 2006-12-12 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Dual binding sites for translocation catalysis by Escherichia coli glutathionylspermidine synthetase Embo J., 25, 2006
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5HA1
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![BU of 5ha1 by Molmil](/molmil-images/mine/5ha1) | Crystal structure of human cellular retinol binding protein 1 in complex with retinylamine | Descriptor: | (2~{E},4~{E},6~{E},8~{E})-3,7-dimethyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-2,4,6,8-tetraen-1-amine, Retinol-binding protein 1 | Authors: | Golczak, M, Arne, J.M, Silvaroli, J.A, Kiser, P.D, Banerjee, S. | Deposit date: | 2015-12-29 | Release date: | 2016-03-02 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (1.35 Å) | Cite: | Ligand Binding Induces Conformational Changes in Human Cellular Retinol-binding Protein 1 (CRBP1) Revealed by Atomic Resolution Crystal Structures. J.Biol.Chem., 291, 2016
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5WMA
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![BU of 5wma by Molmil](/molmil-images/mine/5wma) | N-terminal bromodomain of BRD4 in complex with PLX5981 | Descriptor: | 1,2-ETHANEDIOL, 5-(3,5-dimethyl-1,2-oxazol-4-yl)-1H-pyrrolo[2,3-b]pyridine, Bromodomain-containing protein 4 | Authors: | Zhang, Y. | Deposit date: | 2017-07-28 | Release date: | 2018-08-01 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (1.401 Å) | Cite: | BRD4 Profiling Identifies Critical Chronic Lymphocytic Leukemia Oncogenic Circuits and Reveals Sensitivity to PLX51107, a Novel Structurally Distinct BET Inhibitor. Cancer Discov, 8, 2018
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5JNT
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![BU of 5jnt by Molmil](/molmil-images/mine/5jnt) | Crystal structure of human low molecular weight protein tyrosine phosphatase (LMPTP) type A complexed with MES | Descriptor: | 1,2-ETHANEDIOL, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, DIMETHYL SULFOXIDE, ... | Authors: | Stanford, S.M, Aleshin, A.E, Liddington, R.C, Bankston, L, Cadwell, G, Bottini, N. | Deposit date: | 2016-04-30 | Release date: | 2017-03-29 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (1.45 Å) | Cite: | Diabetes reversal by inhibition of the low-molecular-weight tyrosine phosphatase. Nat. Chem. Biol., 13, 2017
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6W26
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![BU of 6w26 by Molmil](/molmil-images/mine/6w26) | Terpenoid Cyclase FgGS in Complex with Mg, Inorganic Pyrophosphate, and Imidazole | Descriptor: | 1,2-ETHANEDIOL, GLYCEROL, IMIDAZOLE, ... | Authors: | Herbst-Gervasoni, C.J, Christianson, D.W. | Deposit date: | 2020-03-05 | Release date: | 2020-07-08 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.15 Å) | Cite: | Discovery of the cryptic function of terpene cyclases as aromatic prenyltransferases. Nat Commun, 11, 2020
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