1T46
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![BU of 1t46 by Molmil](/molmil-images/mine/1t46) | STRUCTURAL BASIS FOR THE AUTOINHIBITION AND STI-571 INHIBITION OF C-KIT TYROSINE KINASE | Descriptor: | 4-(4-METHYL-PIPERAZIN-1-YLMETHYL)-N-[4-METHYL-3-(4-PYRIDIN-3-YL-PYRIMIDIN-2-YLAMINO)-PHENYL]-BENZAMIDE, Homo sapiens v-kit Hardy-Zuckerman 4 feline sarcoma viral oncogene homolog, PHOSPHATE ION | Authors: | Mol, C.D, Dougan, D.R, Schneider, T.R, Skene, R.J, Kraus, M.L, Scheibe, D.N, Snell, G.P, Zou, H, Sang, B.C, Wilson, K.P. | Deposit date: | 2004-04-28 | Release date: | 2004-06-15 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Structural basis for the autoinhibition and STI-571 inhibition of c-Kit tyrosine kinase. J.Biol.Chem., 279, 2004
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1R13
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![BU of 1r13 by Molmil](/molmil-images/mine/1r13) | Carbohydrate recognition and neck domains of surfactant protein A (SP-A) | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CALCIUM ION, Pulmonary surfactant-associated protein A, ... | Authors: | Head, J.F, Mealy, T.R, McCormack, F.X, Seaton, B.A. | Deposit date: | 2003-09-23 | Release date: | 2003-11-18 | Last modified: | 2021-10-27 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Crystal structure of trimeric carbohydrate recognition and neck domains of surfactant protein A J.Biol.Chem., 278, 2003
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1R14
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![BU of 1r14 by Molmil](/molmil-images/mine/1r14) | Carbohydrate recognition and neck domains of surfactant protein A (Sp-A) containing samarium | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, Pulmonary surfactant-associated protein A, SAMARIUM (III) ION | Authors: | Head, J.F, Mealy, T.R, McCormack, F.X, Seaton, B.A. | Deposit date: | 2003-09-23 | Release date: | 2003-11-11 | Last modified: | 2021-10-27 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Crystal structure of trimeric carbohydrate recognition and neck domains of surfactant protein A J.Biol.Chem., 278, 2003
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1TAW
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![BU of 1taw by Molmil](/molmil-images/mine/1taw) | BOVINE TRYPSIN COMPLEXED TO APPI | Descriptor: | CALCIUM ION, PROTEASE INHIBITOR DOMAIN OF ALZHEIMER'S AMYLOID BETA-PROTEIN PRECURSOR, TRYPSIN | Authors: | Hynes, T.R, Kossiakoff, A.A. | Deposit date: | 1996-12-19 | Release date: | 1997-06-24 | Last modified: | 2023-08-09 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Crystal structures of bovine chymotrypsin and trypsin complexed to the inhibitor domain of Alzheimer's amyloid beta-protein precursor (APPI) and basic pancreatic trypsin inhibitor (BPTI): engineering of inhibitors with altered specificities. Protein Sci., 6, 1997
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1SYC
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1T45
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![BU of 1t45 by Molmil](/molmil-images/mine/1t45) | STRUCTURAL BASIS FOR THE AUTOINHIBITION AND STI-571 INHIBITION OF C-KIT TYROSINE KINASE | Descriptor: | Homo sapiens v-kit Hardy-Zuckerman 4 feline sarcoma viral oncogene homolog | Authors: | Mol, C.D, Dougan, D.R, Schneider, T.R, Skene, R.J, Kraus, M.L, Scheibe, D.N, Snell, G.P, Zou, H, Sang, B.C, Wilson, K.P. | Deposit date: | 2004-04-28 | Release date: | 2004-06-15 | Last modified: | 2023-08-23 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Structural basis for the autoinhibition and STI-571 inhibition of c-Kit tyrosine kinase. J.Biol.Chem., 279, 2004
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1SYG
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![BU of 1syg by Molmil](/molmil-images/mine/1syg) | |
7QNF
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![BU of 7qnf by Molmil](/molmil-images/mine/7qnf) | CRYSTAL STRUCTURE OF E.coli ALCOHOL DEHYDROGENASE - FucO MUTANT N151G, L259V COMPLEXED WITH FE, NAD+, AND ETHYLENE GLYCOL | Descriptor: | 1,2-ETHANEDIOL, ADENOSINE-5-DIPHOSPHORIBOSE, FE (III) ION, ... | Authors: | Sridhar, S, Kiema, T.R, Wierenga, R.K, Widersten, M. | Deposit date: | 2021-12-20 | Release date: | 2022-10-19 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (2.14 Å) | Cite: | Structures of lactaldehyde reductase, FucO, link enzyme activity to hydrogen bond networks and conformational dynamics. Febs J., 290, 2023
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7QLS
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![BU of 7qls by Molmil](/molmil-images/mine/7qls) | CRYSTAL STRUCTURE OF E.coli ALCOHOL DEHYDROGENASE - FucO MUTANT N151G, L259V COMPLEXED WITH FE, NADH, AND DIMETHOXYPHENYL ACETAMIDE | Descriptor: | 2-(3,4-dimethoxyphenyl)ethanamide, ADENOSINE-5-DIPHOSPHORIBOSE, FE (III) ION, ... | Authors: | Sridhar, S, Kiema, T.R, Wierenga, R.K, Widersten, M. | Deposit date: | 2021-12-20 | Release date: | 2022-12-28 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Crystal structures and kinetic studies of a laboratory evolved aldehyde reductase explain the dramatic shift of its new substrate specificity. Iucrj, 10, 2023
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7QNH
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![BU of 7qnh by Molmil](/molmil-images/mine/7qnh) | CRYSTAL STRUCTURE OF E.coli ALCOHOL DEHYDROGENASE - FucO MUTANT N151G, L259V COMPLEXED WITH FE, NADH, AND GLYCEROL | Descriptor: | 1,4-DIHYDRONICOTINAMIDE ADENINE DINUCLEOTIDE, FE (III) ION, GLYCEROL, ... | Authors: | Sridhar, S, Kiema, T.R, Wierenga, R.K, Widersten, M. | Deposit date: | 2021-12-20 | Release date: | 2022-12-28 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Crystal structures and kinetic studies of a laboratory evolved aldehyde reductase explain the dramatic shift of its new substrate specificity. Iucrj, 10, 2023
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7QLQ
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![BU of 7qlq by Molmil](/molmil-images/mine/7qlq) | CRYSTAL STRUCTURE OF E.coli ALCOHOL DEHYDROGENASE - FucO MUTANT N151G, L259V COMPLEXED WITH FE, NAD, AND DIMETHOXYPHENYL ACETAMIDE | Descriptor: | 2-(3,4-dimethoxyphenyl)ethanamide, ACETATE ION, ADENOSINE-5-DIPHOSPHORIBOSE, ... | Authors: | Sridhar, S, Kiema, T.R, Widersten, M, Wierenga, R.K. | Deposit date: | 2021-12-20 | Release date: | 2022-12-28 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | Crystal structures and kinetic studies of a laboratory evolved aldehyde reductase explain the dramatic shift of its new substrate specificity. Iucrj, 10, 2023
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7QLG
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![BU of 7qlg by Molmil](/molmil-images/mine/7qlg) | CRYSTAL STRUCTURE OF E.coli ALCOHOL DEHYDROGENASE - FucO MUTANT L259V COMPLEXED WITH FE, NADH, AND GLYCEROL | Descriptor: | 1,4-DIHYDRONICOTINAMIDE ADENINE DINUCLEOTIDE, FE (III) ION, GLYCEROL, ... | Authors: | Sridhar, S, Kiema, T.R, Widertsen, M, Wierenga, R.K. | Deposit date: | 2021-12-20 | Release date: | 2022-12-28 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Crystal structures and kinetic studies of a laboratory evolved aldehyde reductase explain the dramatic shift of its new substrate specificity. Iucrj, 10, 2023
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7RD6
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![BU of 7rd6 by Molmil](/molmil-images/mine/7rd6) | Structure of the S. cerevisiae P4B ATPase lipid flippase in the E2P state | Descriptor: | BERYLLIUM TRIFLUORIDE ION, MAGNESIUM ION, Probable phospholipid-transporting ATPase NEO1 | Authors: | Bai, L, Jain, B.K, You, Q, Duan, H.D, Graham, T.R, Li, H. | Deposit date: | 2021-07-09 | Release date: | 2021-09-29 | Last modified: | 2024-06-05 | Method: | ELECTRON MICROSCOPY (3.25 Å) | Cite: | Structural basis of the P4B ATPase lipid flippase activity. Nat Commun, 12, 2021
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7RD8
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![BU of 7rd8 by Molmil](/molmil-images/mine/7rd8) | Structure of the S. cerevisiae P4B ATPase lipid flippase in the E1-ATP state | Descriptor: | MAGNESIUM ION, PHOSPHOMETHYLPHOSPHONIC ACID ADENYLATE ESTER, Probable phospholipid-transporting ATPase NEO1 | Authors: | Bai, L, Jain, B.K, You, Q, Duan, H.D, Graham, T.R, Li, H. | Deposit date: | 2021-07-09 | Release date: | 2021-09-29 | Last modified: | 2024-06-05 | Method: | ELECTRON MICROSCOPY (5.64 Å) | Cite: | Structural basis of the P4B ATPase lipid flippase activity. Nat Commun, 12, 2021
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7RD7
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![BU of 7rd7 by Molmil](/molmil-images/mine/7rd7) | Structure of the S. cerevisiae P4B ATPase lipid flippase in the E2P-transition state | Descriptor: | MAGNESIUM ION, Probable phospholipid-transporting ATPase NEO1, TETRAFLUOROALUMINATE ION | Authors: | Bai, L, Jain, B.K, You, Q, Duan, H.D, Graham, T.R, Li, H. | Deposit date: | 2021-07-09 | Release date: | 2021-09-29 | Last modified: | 2024-06-05 | Method: | ELECTRON MICROSCOPY (3.08 Å) | Cite: | Structural basis of the P4B ATPase lipid flippase activity. Nat Commun, 12, 2021
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7R36
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![BU of 7r36 by Molmil](/molmil-images/mine/7r36) | Difference-refined structure of fatty acid photodecarboxylase 2 microsecond following 400-nm laser irradiation of the dark-state determined by SFX | Descriptor: | FLAVIN-ADENINE DINUCLEOTIDE, Fatty acid photodecarboxylase, chloroplastic, ... | Authors: | Hadjidemetriou, K, Coquelle, N, Barends, T.R.M, De Zitter, E, Schlichting, I, Colletier, J.P, Weik, M. | Deposit date: | 2022-02-06 | Release date: | 2022-09-14 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Time-resolved serial femtosecond crystallography on fatty-acid photodecarboxylase: lessons learned. Acta Crystallogr D Struct Biol, 78, 2022
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7R33
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![BU of 7r33 by Molmil](/molmil-images/mine/7r33) | Difference-refined structure of fatty acid photodecarboxylase 20 ps following 400-nm laser irradiation of the dark-state determined by SFX | Descriptor: | FLAVIN-ADENINE DINUCLEOTIDE, Fatty acid photodecarboxylase, chloroplastic, ... | Authors: | Hadjidemetriou, K, Coquelle, N, Barends, T.R.M, De Zitter, E, Schlichting, I, Colletier, J.P, Weik, M. | Deposit date: | 2022-02-06 | Release date: | 2022-09-14 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Time-resolved serial femtosecond crystallography on fatty-acid photodecarboxylase: lessons learned. Acta Crystallogr D Struct Biol, 78, 2022
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7R34
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![BU of 7r34 by Molmil](/molmil-images/mine/7r34) | Difference-refined structure of fatty acid photodecarboxylase 900 ps following 400-nm laser irradiation of the dark-state determined by SFX | Descriptor: | FLAVIN-ADENINE DINUCLEOTIDE, Fatty acid photodecarboxylase, chloroplastic, ... | Authors: | Hadjidemetriou, K, Coquelle, N, Barends, T.R.M, De Zitter, E, Schlichting, I, Colletier, J.P, Weik, M. | Deposit date: | 2022-02-06 | Release date: | 2022-09-14 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Time-resolved serial femtosecond crystallography on fatty-acid photodecarboxylase: lessons learned. Acta Crystallogr D Struct Biol, 78, 2022
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7R35
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![BU of 7r35 by Molmil](/molmil-images/mine/7r35) | Difference-refined structure of fatty acid photodecarboxylase 300 ns following 400-nm laser irradiation of the dark-state determined by SFX | Descriptor: | FLAVIN-ADENINE DINUCLEOTIDE, Fatty acid photodecarboxylase, chloroplastic, ... | Authors: | Hadjidemetriou, K, Coquelle, N, Barends, T.R.M, De Zitter, E, Schlichting, I, Colletier, J.P, Weik, W. | Deposit date: | 2022-02-06 | Release date: | 2022-09-14 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Time-resolved serial femtosecond crystallography on fatty-acid photodecarboxylase: lessons learned. Acta Crystallogr D Struct Biol, 78, 2022
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7R5T
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![BU of 7r5t by Molmil](/molmil-images/mine/7r5t) | CRYSTAL STRUCTURE OF E.coli ALCOHOL DEHYDROGENASE - FucO MUTANT F254I COMPLEXED WITH FE, NADH, AND GLYCEROL | Descriptor: | 1,4-DIHYDRONICOTINAMIDE ADENINE DINUCLEOTIDE, ADENOSINE-5-DIPHOSPHORIBOSE, FE (III) ION, ... | Authors: | Sridhar, S, Kiema, T.R, Wierenga, R, Widersten, M. | Deposit date: | 2022-02-11 | Release date: | 2022-10-19 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (1.85 Å) | Cite: | Structures of lactaldehyde reductase, FucO, link enzyme activity to hydrogen bond networks and conformational dynamics. Febs J., 290, 2023
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7R3D
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![BU of 7r3d by Molmil](/molmil-images/mine/7r3d) | CRYSTAL STRUCTURE OF E.coli ALCOHOL DEHYDROGENASE - FucO MUTANT N151G, L259V COMPLEXED WITH FE, NADH, AND GLYCEROL (Absence of Nicotinamide ring) | Descriptor: | ADENOSINE-5-DIPHOSPHORIBOSE, FE (III) ION, Lactaldehyde reductase | Authors: | Sridhar, S, Kiema, T.R, Wierenga, R, Widersten, M. | Deposit date: | 2022-02-07 | Release date: | 2022-10-19 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (1.4 Å) | Cite: | Structures of lactaldehyde reductase, FucO, link enzyme activity to hydrogen bond networks and conformational dynamics. Febs J., 290, 2023
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7RN2
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![BU of 7rn2 by Molmil](/molmil-images/mine/7rn2) | Crystal structure of the first bromodomain of human BRD4 in complex with SJ001010551-2 | Descriptor: | 1,2-ETHANEDIOL, 2-[(6S,10S)-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-[(pyridin-2-yl)methyl]acetamide, Bromodomain-containing protein 4 | Authors: | Stachowski, T.R, Fischer, M. | Deposit date: | 2021-07-28 | Release date: | 2022-08-03 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.05 Å) | Cite: | From PROTAC to inhibitor: Structure-guided discovery of potent and orally bioavailable BET inhibitors. Eur.J.Med.Chem., 251, 2023
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7RMD
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![BU of 7rmd by Molmil](/molmil-images/mine/7rmd) | Crystal structure of the first bromodomain of human BRD4 in complex with SJ001011461-1 | Descriptor: | 1,2-ETHANEDIOL, 2-[(6S,10R)-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-(1,3,4-thiadiazol-2-yl)acetamide, Bromodomain-containing protein 4 | Authors: | Stachowski, T.R, Fischer, M. | Deposit date: | 2021-07-27 | Release date: | 2022-08-03 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.18 Å) | Cite: | From PROTAC to inhibitor: Structure-guided discovery of potent and orally bioavailable BET inhibitors. Eur.J.Med.Chem., 251, 2023
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7S5B
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![BU of 7s5b by Molmil](/molmil-images/mine/7s5b) | |
7S2V
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![BU of 7s2v by Molmil](/molmil-images/mine/7s2v) | |