5A8Z
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![BU of 5a8z by Molmil](/molmil-images/mine/5a8z) | Crystal Structure of human neutrophil elastase in complex with a dihydropyrimidone inhibitor | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 4-[(4R)-7-methyl-2,5-bis(oxidanylidene)-1-[3-(trifluoromethyl)phenyl]-3,4,6,8-tetrahydropyrimido[4,5-d]pyridazin-4-yl]benzenecarbonitrile, Neutrophil elastase, ... | Authors: | von Nussbaum, F, Li, V.M, Meibom, D, Anlauf, S, Bechem, M, Delbeck, M, Gerisch, M, Harrenga, A, Karthaus, D, Lang, D, Lustig, K, Mittendorf, J, Schaefer, M, Schaefer, S, Schamberger, J. | Deposit date: | 2015-07-17 | Release date: | 2016-08-03 | Last modified: | 2020-07-29 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Potent and Selective Human Neutrophil Elastase Inhibitors with Novel Equatorial Ring Topology: in vivo Efficacy of the Polar Pyrimidopyridazine BAY-8040 in a Pulmonary Arterial Hypertension Rat Model. ChemMedChem, 11, 2016
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5ULO
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![BU of 5ulo by Molmil](/molmil-images/mine/5ulo) | Crystal Structure of 14-3-3 zeta in Complex with a Serine 124-phosphorylated TBC1D7 peptide | Descriptor: | 1,2-ETHANEDIOL, 14-3-3 protein zeta/delta, L-PROLINAMIDE, ... | Authors: | DONG, A, HU, J, MADIGAN, J, WALKER, J.R, Bountra, C, Arrowsmith, C.H, Edwards, A.M, TONG, Y, Structural Genomics Consortium (SGC) | Deposit date: | 2017-01-25 | Release date: | 2018-01-31 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (2.14 Å) | Cite: | Crystal Structure of 14-3-3 zeta in Complex with a Serine 124-phosphorylated TBC1D7 peptide to be published
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6POR
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![BU of 6por by Molmil](/molmil-images/mine/6por) | Antimicrobial lasso peptide ubonodin | Descriptor: | Ubonodin | Authors: | Link, A.J, Cheung-Lee, W.L. | Deposit date: | 2019-07-05 | Release date: | 2019-12-04 | Last modified: | 2023-06-14 | Method: | SOLUTION NMR | Cite: | Discovery of Ubonodin, an Antimicrobial Lasso Peptide Active against Members of the Burkholderia cepacia Complex. Chembiochem, 21, 2020
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5A0C
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![BU of 5a0c by Molmil](/molmil-images/mine/5a0c) | Crystal Structure of human neutrophil elastase in complex with a dihydropyrimidone inhibitor | Descriptor: | (6S)-6-(4-cyano-2-methylsulfonyl-phenyl)-4-methyl-2-oxidanylidene-3-[3-(trifluoromethyl)phenyl]-1,6-dihydropyrimidine-5-carbonitrile, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, ... | Authors: | vonNussbaum, F, Li, V.M.-J, Allerheiligen, S, Anlauf, S, Baerfacker, L, Bechem, M, Delbeck, M, Fitzgerald, M.F, Gerisch, M, Gielen-Haertwig, H, Haning, H, Karthaus, D, Lang, D, Lustig, K, Meibom, D, Mittendorf, J, Rosentreter, U, Schaefer, M, Schaefer, S, Schamberger, J, Telan, L.A, Tersteegen, A. | Deposit date: | 2015-04-17 | Release date: | 2015-08-19 | Last modified: | 2020-07-29 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Freezing the Bioactive Conformation to Boost Potency: The Identification of BAY 85-8501, a Selective and Potent Inhibitor of Human Neutrophil Elastase for Pulmonary Diseases. ChemMedChem, 10, 2015
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6TA2
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![BU of 6ta2 by Molmil](/molmil-images/mine/6ta2) | Human NAMPT in complex with nicotinic acid mononucleotide and phosphate | Descriptor: | CHLORIDE ION, GLYCEROL, NICOTINATE MONONUCLEOTIDE, ... | Authors: | Houry, D, Raasakka, A, Kursula, P, Ziegler, M. | Deposit date: | 2019-10-29 | Release date: | 2020-11-18 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.68 Å) | Cite: | Identification of structural determinants of NAMPT activity and substrate selectivity To Be Published
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7ZJS
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![BU of 7zjs by Molmil](/molmil-images/mine/7zjs) | |
7PT7
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![BU of 7pt7 by Molmil](/molmil-images/mine/7pt7) | Structure of MCM2-7 DH complexed with Cdc7-Dbf4 in the presence of ADP:BeF3, state I | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, BERYLLIUM TRIFLUORIDE ION, Cell division control protein 7, ... | Authors: | Saleh, A, Noguchi, Y, Aramayo, R, Ivanova, M.E, Speck, C. | Deposit date: | 2021-09-26 | Release date: | 2022-06-08 | Last modified: | 2024-07-17 | Method: | ELECTRON MICROSCOPY (3.8 Å) | Cite: | The structural basis of Cdc7-Dbf4 kinase dependent targeting and phosphorylation of the MCM2-7 double hexamer. Nat Commun, 13, 2022
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7PT6
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![BU of 7pt6 by Molmil](/molmil-images/mine/7pt6) | Structure of MCM2-7 DH complexed with Cdc7-Dbf4 in the presence of ATPgS, state III | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, Cell division control protein 7, DDK kinase regulatory subunit DBF4, ... | Authors: | Saleh, A, Noguchi, Y, Aramayo, R, Ivanova, M.E, Speck, C. | Deposit date: | 2021-09-26 | Release date: | 2022-06-08 | Last modified: | 2024-07-17 | Method: | ELECTRON MICROSCOPY (3.2 Å) | Cite: | The structural basis of Cdc7-Dbf4 kinase dependent targeting and phosphorylation of the MCM2-7 double hexamer. Nat Commun, 13, 2022
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6T5F
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![BU of 6t5f by Molmil](/molmil-images/mine/6t5f) | Human 14-3-3 sigma fused to the StARD1 peptide including phosphoserine-195 | Descriptor: | 14-3-3 protein sigma, StARD1 peptide | Authors: | Sluchanko, N.N, Tugaeva, K.V, Titterington, J, Antson, A.A. | Deposit date: | 2019-10-16 | Release date: | 2020-11-18 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (2.63 Å) | Cite: | Molecular basis for the recognition of steroidogenic acute regulatory protein by the 14-3-3 protein family. Febs J., 287, 2020
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5A09
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![BU of 5a09 by Molmil](/molmil-images/mine/5a09) | Crystal Structure of human neutrophil elastase in complex with a dihydropyrimidone inhibitor | Descriptor: | 2-[(4R)-4-(4-cyanophenyl)-5-ethanoyl-6-methyl-2-oxidanylidene-1-[3-(trifluoromethyl)phenyl]-4H-pyrimidin-3-yl]ethanoic acid, 2-acetamido-2-deoxy-beta-D-glucopyranose, NEUTROPHIL ELASTASE, ... | Authors: | vonNussbaum, F, Li, V.M.-J, Allerheiligen, S, Anlauf, S, Baerfacker, L, Bechem, M, Delbeck, M, Fitzgerald, M.F, Gerisch, M, Gielen-Haertwig, H, Haning, H, Karthaus, D, Lang, D, Lustig, K, Meibom, D, Mittendorf, J, Rosentreter, U, Schaefer, M, Schaefer, S, Schamberger, J, Telan, L.A, Tersteegen, A. | Deposit date: | 2015-04-17 | Release date: | 2015-08-19 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.81 Å) | Cite: | Freezing the Bioactive Conformation to Boost Potency: The Identification of BAY 85-8501, a Selective and Potent Inhibitor of Human Neutrophil Elastase for Pulmonary Diseases. ChemMedChem, 10, 2015
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6TAC
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![BU of 6tac by Molmil](/molmil-images/mine/6tac) | Human NAMPT deletion mutant in complex with nicotinamide mononucleotide, pyrophosphate, and Mg2+ | Descriptor: | BETA-NICOTINAMIDE RIBOSE MONOPHOSPHATE, GLYCEROL, MAGNESIUM ION, ... | Authors: | Houry, D, Raasakka, A, Kursula, P, Ziegler, M. | Deposit date: | 2019-10-29 | Release date: | 2020-11-18 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Identification of structural determinants of NAMPT activity and substrate selectivity To Be Published
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6T80
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![BU of 6t80 by Molmil](/molmil-images/mine/6t80) | |
5T30
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![BU of 5t30 by Molmil](/molmil-images/mine/5t30) | Human MnSOD-azide complex | Descriptor: | AZIDE ION, MANGANESE (II) ION, PHOSPHATE ION, ... | Authors: | Azadmanesh, J, Trickel, S.R, Kolar, C.H, Lovelace, J.J, Borgstahl, G.E.O. | Deposit date: | 2016-08-24 | Release date: | 2017-05-17 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (1.77 Å) | Cite: | Substrate-analog binding and electrostatic surfaces of human manganese superoxide dismutase. J. Struct. Biol., 199, 2017
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6PTL
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6T5H
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![BU of 6t5h by Molmil](/molmil-images/mine/6t5h) | Human 14-3-3 sigma fused to the StARD1 peptide including phosphoserine-57 | Descriptor: | 14-3-3 protein sigma,Steroidogenic acute regulatory protein, mitochondrial, IMIDAZOLE, ... | Authors: | Sluchanko, N.N, Tugaeva, K.V, Titterington, J, Antson, A.A. | Deposit date: | 2019-10-16 | Release date: | 2020-11-18 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (2.04 Å) | Cite: | Molecular basis for the recognition of steroidogenic acute regulatory protein by the 14-3-3 protein family. Febs J., 287, 2020
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7PPH
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![BU of 7pph by Molmil](/molmil-images/mine/7pph) | CRYSTAL STRUCTURE OF NAMPT IN COMPLEX WITH Compound 10 | Descriptor: | GLYCEROL, N-[4-[(5R)-6-oxidanylidene-5-quinolin-5-yl-5-(trifluoromethyl)-1,4-dihydropyridazin-3-yl]phenyl]-1,3-dihydropyrrolo[3,4-c]pyridine-2-carboxamide, Nicotinamide phosphoribosyltransferase, ... | Authors: | Hillig, R.C. | Deposit date: | 2021-09-13 | Release date: | 2022-06-15 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.74 Å) | Cite: | A Novel NAMPT Inhibitor-Based Antibody-Drug Conjugate Payload Class for Cancer Therapy. Bioconjug.Chem., 33, 2022
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7PPI
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![BU of 7ppi by Molmil](/molmil-images/mine/7ppi) | Crystal STRUCTURE OF NAMPT IN COMPLEX WITH Compound 11 | Descriptor: | CHLORIDE ION, GLYCEROL, N-[4-[(5R)-1-(4-azanylbutyl)-6-oxidanylidene-5-quinolin-5-yl-4,5-dihydropyridazin-3-yl]phenyl]-1,3-dihydropyrrolo[3,4-c]pyridine-2-carboxamide, ... | Authors: | Hillig, R.C. | Deposit date: | 2021-09-13 | Release date: | 2022-06-15 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2.33 Å) | Cite: | A Novel NAMPT Inhibitor-Based Antibody-Drug Conjugate Payload Class for Cancer Therapy. Bioconjug.Chem., 33, 2022
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7PPE
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![BU of 7ppe by Molmil](/molmil-images/mine/7ppe) | CRYSTAL STRUCTURE OF NAMPT IN COMPLEX WITH COMPOUND 1 | Descriptor: | GLYCEROL, N-[4-[(4R)-4-methyl-1-(oxan-4-yl)-6-oxidanylidene-4,5-dihydropyridazin-3-yl]phenyl]-1,3-dihydropyrrolo[3,4-c]pyridine-2-carboxamide, Nicotinamide phosphoribosyltransferase, ... | Authors: | Hillig, R.C. | Deposit date: | 2021-09-13 | Release date: | 2022-06-15 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.86 Å) | Cite: | A Novel NAMPT Inhibitor-Based Antibody-Drug Conjugate Payload Class for Cancer Therapy. Bioconjug.Chem., 33, 2022
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7PPF
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![BU of 7ppf by Molmil](/molmil-images/mine/7ppf) | CRYSTAL STRUCTURE OF NAMPT IN COMPLEX WITH COMPOUND 8 | Descriptor: | 1,2-ETHANEDIOL, N-[4-[(4R)-1,4-dimethyl-6-oxidanylidene-4,5-dihydropyridazin-3-yl]phenyl]-5,7-dihydropyrrolo[3,4-b]pyridine-6-carboxamide, Nicotinamide phosphoribosyltransferase, ... | Authors: | Hillig, R.C. | Deposit date: | 2021-09-13 | Release date: | 2022-06-15 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2.36 Å) | Cite: | A Novel NAMPT Inhibitor-Based Antibody-Drug Conjugate Payload Class for Cancer Therapy. Bioconjug.Chem., 33, 2022
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6T78
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![BU of 6t78 by Molmil](/molmil-images/mine/6t78) | Structure of human Sox11 transcription factor in complex with a short DNA fragment | Descriptor: | DNA (5'-D(*AP*AP*CP*AP*AP*AP*AP*TP*AP*AP*AP*CP*AP*AP*TP*A)-3'), DNA (5'-D(*TP*AP*TP*TP*GP*TP*TP*TP*AP*TP*TP*TP*TP*GP*TP*T)-3'), Transcription factor SOX-11 | Authors: | Dodonova, S.O, Zhu, F, Dienemann, C, Taipale, J, Cramer, P. | Deposit date: | 2019-10-21 | Release date: | 2020-04-29 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (2.504 Å) | Cite: | Nucleosome-bound SOX2 and SOX11 structures elucidate pioneer factor function. Nature, 580, 2020
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6T7F
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![BU of 6t7f by Molmil](/molmil-images/mine/6t7f) | RCR E3 ligase E2-Ubiquitin transthiolation intermediate | Descriptor: | 3,3-bis(sulfanyl)-~{N}-(1~{H}-1,2,3-triazol-4-ylmethyl)propanamide, E3 ubiquitin-protein ligase MYCBP2, Polyubiquitin-C, ... | Authors: | Mabbitt, P.D, Virdee, S. | Deposit date: | 2019-10-21 | Release date: | 2020-08-05 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (2.58 Å) | Cite: | Structural basis for RING-Cys-Relay E3 ligase activity and its role in axon integrity. Nat.Chem.Biol., 16, 2020
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1XCG
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![BU of 1xcg by Molmil](/molmil-images/mine/1xcg) | Crystal Structure of Human RhoA in complex with DH/PH fragment of PDZRHOGEF | Descriptor: | Rho guanine nucleotide exchange factor 11, Transforming protein RhoA | Authors: | Derewenda, U, Oleksy, A, Stevenson, A.S, Korczynska, J, Dauter, Z, Somlyo, A.P, Otlewski, J, Somlyo, A.V, Derewenda, Z.S. | Deposit date: | 2004-09-01 | Release date: | 2004-12-14 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | The crystal structure of RhoA in complex with the DH/PH fragment of PDZRhoGEF, an activator of the Ca(2+) sensitization pathway in smooth muscle Structure, 12, 2004
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7PPG
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![BU of 7ppg by Molmil](/molmil-images/mine/7ppg) | CRYSTAL STRUCTURE OF NAMPT IN COMPLEX WITH COMPOUND 9 | Descriptor: | 1,2-ETHANEDIOL, N-[4-[(4R)-1-cyclopentyl-4-methyl-6-oxidanylidene-4,5-dihydropyridazin-3-yl]phenyl]-1,3-dihydropyrrolo[3,4-c]pyridine-2-carboxamide, Nicotinamide phosphoribosyltransferase, ... | Authors: | Hillig, R.C. | Deposit date: | 2021-09-13 | Release date: | 2022-06-15 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2.13 Å) | Cite: | A Novel NAMPT Inhibitor-Based Antibody-Drug Conjugate Payload Class for Cancer Therapy. Bioconjug.Chem., 33, 2022
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2BJV
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![BU of 2bjv by Molmil](/molmil-images/mine/2bjv) | Crystal Structure of PspF(1-275) R168A mutant | Descriptor: | PSP OPERON TRANSCRIPTIONAL ACTIVATOR | Authors: | Rappas, M, Schumacher, J, Beuron, F, Niwa, H, Bordes, P, Wigneshweraraj, S, Keetch, C.A, Robinson, C.V, Buck, M, Zhang, X. | Deposit date: | 2005-02-08 | Release date: | 2005-03-31 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Structural Insights Into the Activity of Enhancer-Binding Proteins Science, 307, 2005
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6XYP
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![BU of 6xyp by Molmil](/molmil-images/mine/6xyp) | Multiple system atrophy Type II-1 alpha-synuclein filament | Descriptor: | Alpha-synuclein | Authors: | Schweighauser, M, Shi, Y, Tarutani, A, Kametani, F, Murzin, A.G, Ghetti, B, Matsubara, T, Tomita, T, Ando, T, Hasegawa, K, Murayama, S, Yoshida, M, Hasegawa, M, Scheres, S.H.W, Goedert, M. | Deposit date: | 2020-01-30 | Release date: | 2020-02-12 | Last modified: | 2024-05-22 | Method: | ELECTRON MICROSCOPY (3.29 Å) | Cite: | Structures of alpha-synuclein filaments from multiple system atrophy. Nature, 585, 2020
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