7S2Q
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7S31
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7S8Z
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7S9G
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![BU of 7s9g by Molmil](/molmil-images/mine/7s9g) | Room-temperature Human Hsp90a-NTD bound to BIIB021 | Descriptor: | 6-chloro-9-[(4-methoxy-3,5-dimethylpyridin-2-yl)methyl]-9H-purin-2-amine, Heat shock protein HSP 90-alpha, MAGNESIUM ION | Authors: | Stachowski, T.R, Vanarotti, M, Fischer, M. | Deposit date: | 2021-09-21 | Release date: | 2022-08-03 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.79 Å) | Cite: | Water Networks Repopulate Protein-Ligand Interfaces with Temperature. Angew.Chem.Int.Ed.Engl., 61, 2022
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7S9F
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![BU of 7s9f by Molmil](/molmil-images/mine/7s9f) | Cryogenic Human Hsp90a-NTD bound to BIIB021 | Descriptor: | 6-chloro-9-[(4-methoxy-3,5-dimethylpyridin-2-yl)methyl]-9H-purin-2-amine, Heat shock protein HSP 90-alpha, MAGNESIUM ION | Authors: | Stachowski, T.R, Vanarotti, M, Seetharaman, J, Fischer, M. | Deposit date: | 2021-09-20 | Release date: | 2022-08-03 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Water Networks Repopulate Protein-Ligand Interfaces with Temperature. Angew.Chem.Int.Ed.Engl., 61, 2022
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7S95
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![BU of 7s95 by Molmil](/molmil-images/mine/7s95) | Room-temperature Human Hsp90a-NTD bound to adenine | Descriptor: | ADENINE, Heat shock protein HSP 90-alpha | Authors: | Stachowski, T.R, Vanarotti, M, Lopez, K, Fischer, M. | Deposit date: | 2021-09-20 | Release date: | 2022-08-03 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (1.71 Å) | Cite: | Water Networks Repopulate Protein-Ligand Interfaces with Temperature. Angew.Chem.Int.Ed.Engl., 61, 2022
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7S9I
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![BU of 7s9i by Molmil](/molmil-images/mine/7s9i) | Room-temperature Human Hsp90a-NTD bound to EC144 | Descriptor: | 5-{2-amino-4-chloro-7-[(4-methoxy-3,5-dimethylpyridin-2-yl)methyl]-7H-pyrrolo[2,3-d]pyrimidin-5-yl}-2-methylpent-4-yn-2 -ol, Heat shock protein HSP 90-alpha | Authors: | Stachowski, T.R, Vanarotti, M, Fischer, M. | Deposit date: | 2021-09-21 | Release date: | 2022-08-03 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.75 Å) | Cite: | Water Networks Repopulate Protein-Ligand Interfaces with Temperature. Angew.Chem.Int.Ed.Engl., 61, 2022
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7S9H
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![BU of 7s9h by Molmil](/molmil-images/mine/7s9h) | Cryogenic Human Hsp90a-NTD bound to EC144 | Descriptor: | 5-{2-amino-4-chloro-7-[(4-methoxy-3,5-dimethylpyridin-2-yl)methyl]-7H-pyrrolo[2,3-d]pyrimidin-5-yl}-2-methylpent-4-yn-2 -ol, Heat shock protein HSP 90-alpha, MAGNESIUM ION | Authors: | Stachowski, T.R, Vanarotti, M, Seetharaman, J, Fischer, M. | Deposit date: | 2021-09-21 | Release date: | 2022-08-03 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.45 Å) | Cite: | Water Networks Repopulate Protein-Ligand Interfaces with Temperature. Angew.Chem.Int.Ed.Engl., 61, 2022
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7S98
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![BU of 7s98 by Molmil](/molmil-images/mine/7s98) | Cryogenic Human Hsp90a-NTD bound to N6M | Descriptor: | Heat shock protein HSP 90-alpha, N-METHYL-9H-PURIN-6-AMINE | Authors: | Stachowski, T.R, Vanarotti, M, Lopez, K, Fischer, M. | Deposit date: | 2021-09-20 | Release date: | 2022-08-03 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Water Networks Repopulate Protein-Ligand Interfaces with Temperature. Angew.Chem.Int.Ed.Engl., 61, 2022
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7S8Y
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7S90
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![BU of 7s90 by Molmil](/molmil-images/mine/7s90) | Cryogenic Human Hsp90a-NTD bound to adenine | Descriptor: | ADENINE, Heat shock protein HSP 90-alpha | Authors: | Stachowski, T.R, Vanarotti, M, Lopez, K, Fischer, M. | Deposit date: | 2021-09-20 | Release date: | 2022-08-03 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (1.79 Å) | Cite: | Water Networks Repopulate Protein-Ligand Interfaces with Temperature. Angew.Chem.Int.Ed.Engl., 61, 2022
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7S99
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![BU of 7s99 by Molmil](/molmil-images/mine/7s99) | Room-temperature Human Hsp90a-NTD bound to N6M | Descriptor: | Heat shock protein HSP 90-alpha, N-METHYL-9H-PURIN-6-AMINE | Authors: | Stachowski, T.R, Vanarotti, M, Lopez, K, Fischer, M. | Deposit date: | 2021-09-20 | Release date: | 2022-08-03 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.52 Å) | Cite: | Water Networks Repopulate Protein-Ligand Interfaces with Temperature. Angew.Chem.Int.Ed.Engl., 61, 2022
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1NTS
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![BU of 1nts by Molmil](/molmil-images/mine/1nts) | 5'(dCCPUPCPCPUPUP)3':3'(rAGGAGGAAA)5', where P=propynyl | Descriptor: | 5'-D(*(5PC)P*(5PC)P*(PDU)P*(5PC)P*(5PC)P*(PDU)P*(PDU))-3', 5'-R(*AP*AP*AP*GP*GP*AP*GP*GP*A)-3' | Authors: | Znosko, B.M, Barnes III, T.W, Krugh, T.R, Turner, D.H. | Deposit date: | 2003-01-30 | Release date: | 2003-06-10 | Last modified: | 2024-05-01 | Method: | SOLUTION NMR | Cite: | NMR Studies of DNA Single Strands and DNA:RNA Hybrids With and Without 1-Propynylation at C5 of Oligopyrimidines J.Am.Chem.Soc., 125, 2003
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1OFO
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![BU of 1ofo by Molmil](/molmil-images/mine/1ofo) | Crystal Structure of the Tyrosine Regulated 3-Deoxy-D-Arabino-Heptulosonate-7-Phosphate Synthase from Saccharomyces Cerevisiae in Complex with 2-Phosphoglycolate | Descriptor: | 2-PHOSPHOGLYCOLIC ACID, PHOSPHO-2-DEHYDRO-3-DEOXYHEPTONATE ALDOLASE | Authors: | Koenig, V, Pfeil, A, Heinrich, G, Braus, G, Schneider, T.R. | Deposit date: | 2003-04-17 | Release date: | 2004-04-15 | Last modified: | 2024-05-01 | Method: | X-RAY DIFFRACTION (1.86 Å) | Cite: | Substrate and Metal Complexes of 3-Deoxy-D-Arabino-Heptulosonate-7-Phosphate Synthase from Saccharomyces Cerevisiae Provide New Insights Into the Catalytic Mechanism. J.Mol.Biol., 337, 2004
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1OFB
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![BU of 1ofb by Molmil](/molmil-images/mine/1ofb) | CRYSTAL STRUCTURE OF THE TYROSINE-REGULATED 3-DEOXY-D-ARABINO-HEPTULOSONATE-7-PHOSPHATE SYNTHASE FROM SACCHAROMYCES CEREVISIAE IN COMPLEX WITH MANGANESE(II) | Descriptor: | GLYCEROL, MANGANESE (II) ION, PHOSPHO-2-DEHYDRO-3-DEOXYHEPTONATE ALDOLASE | Authors: | Koenig, V, Pfeil, A, Heinrich, G, Braus, G.H, Schneider, T.R. | Deposit date: | 2003-04-09 | Release date: | 2004-04-08 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (2.01 Å) | Cite: | Substrate and Metal Complexes of 3-Deoxy-D-Arabino-Heptulosonate-7-Phosphate Synthase from Saccharomyces Cerevisiae Provide New Insights Into the Catalytic Mechanism J.Mol.Biol., 337, 2004
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1OFA
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![BU of 1ofa by Molmil](/molmil-images/mine/1ofa) | Crystal structure of the tyrosine-regulated 3-deoxy-d-arabino-heptulosonate-7-phosphate synthase from saccharomyces cerevisiae in complex with phosphoenolpyruvate and cobalt(ii) | Descriptor: | COBALT (II) ION, GLYCEROL, PHOSPHO-2-DEHYDRO-3-DEOXYHEPTONATE ALDOLASE, ... | Authors: | Koenig, V, Pfeil, A, Heinrich, G, Braus, G.H, Schneider, T.R. | Deposit date: | 2003-04-09 | Release date: | 2004-04-08 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (2.02 Å) | Cite: | Substrate and Metal Complexes of 3-Deoxy-D-Arabino-Heptulosonate-7-Phosphate Synthase from Saccharomyces Cerevisiae Provide New Insights Into the Catalytic Mechanism J.Mol.Biol., 337, 2004
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1OF6
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![BU of 1of6 by Molmil](/molmil-images/mine/1of6) | crystal structure of the tyrosine-regulated 3-deoxy-d-arabino-heptulosonate-7-phosphate synthase from saccharomyces cerevisiae complexed with tyrosine and manganese | Descriptor: | D-TYROSINE, MANGANESE (II) ION, PHOSPHO-2-DEHYDRO-3-DEOXYHEPTONATE ALDOLASE, ... | Authors: | Koenig, V, Pfeil, A, Heinrich, G, Braus, G, Schneider, T.R. | Deposit date: | 2003-04-08 | Release date: | 2004-05-06 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Crystal Structure of the Double Complex of the Tyrosine Sensitive Dahp Synthase from Yeast To be Published
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1OK0
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![BU of 1ok0 by Molmil](/molmil-images/mine/1ok0) | Crystal Structure of Tendamistat | Descriptor: | ALPHA-AMYLASE INHIBITOR HOE-467A, CHLORIDE ION, GLYCEROL | Authors: | Koenig, V, Vertesy, L, Schneider, T.R. | Deposit date: | 2003-07-16 | Release date: | 2004-01-15 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (0.93 Å) | Cite: | Crystal Structure of the Alpha-Amylase Inhibitor Tendamistat at 0.93 A Acta Crystallogr.,Sect.D, 59, 2003
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1OFR
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![BU of 1ofr by Molmil](/molmil-images/mine/1ofr) | CRYSTAL STRUCTURE OF THE TYROSINE-REGULATED 3-DEOXY-D-ARABINO-HEPTULOSONATE-7-PHOSPHATE SYNTHASE FROM SACCHAROMYCES CEREVISIAE COMPLEXED WITH PHENYLALANINE AND MANGANESE | Descriptor: | MANGANESE (II) ION, PHENYLALANINE, PHOSPHO-2-DEHYDRO-3-DEOXYHEPTONATE ALDOLASE | Authors: | Koenig, V, Pfeil, A, Heinrich, G, Braus, G, Schneider, T.R. | Deposit date: | 2003-04-18 | Release date: | 2004-04-15 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | Substrate and Metal Complexes of 3-Deoxy-D-Arabino-Heptulosonate-7-Phosphate Synthase from Saccharomyces Cerevisiae Provide New Insights Into the Catalytic Mechanism. J.Mol.Biol., 337, 2004
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1OG0
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![BU of 1og0 by Molmil](/molmil-images/mine/1og0) | CRYSTAL STRUCTURE OF THE MUTANT G226S OF THE TYROSINE-REGULATED 3-DEOXY-D-ARABINO-HEPTULOSONATE-7-PHOSPHATE SYNTHASE FROM SACCHAROMYCES CEREVISIAE COMPLEXED WITH PHENYLALANINE AND MANGANESE | Descriptor: | MANGANESE (II) ION, PHENYLALANINE, Phospho-2-dehydro-3-deoxyheptonate aldolase, ... | Authors: | Koenig, V, Pfeil, A, Heinrich, G, Braus, G.H, Schneider, T.R. | Deposit date: | 2003-04-22 | Release date: | 2004-04-30 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | Crystal Structure of the Mutant G226S of the Tyrosine-Regulated 3-Deoxy-D-Arabino-Heptulosonate -7-Phosphate Synthase from Saccharomyces Cerevisiae Complexed with Phenylalanine and Manganese To be Published
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1OFP
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![BU of 1ofp by Molmil](/molmil-images/mine/1ofp) | CRYSTAL STRUCTURE OF THE TYROSINE-REGULATED 3-DEOXY-D-ARABINO-HEPTULOSONATE-7-PHOSPHATE SYNTHASE FROM SACCHAROMYCES CEREVISIAE | Descriptor: | PHOSPHO-2-DEHYDRO-3-DEOXYHEPTONATE ALDOLASE | Authors: | Koenig, V, Pfeil, A, Heinrich, G, Braus, G.H, Schneider, T.R. | Deposit date: | 2003-04-17 | Release date: | 2004-04-15 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Substrate and Metal Complexes of 3-Deoxy-D-Arabino-Heptulosonate-7-Phosphate Synthase from Saccharomyces Cerevisiae Provide New Insights Into the Catalytic Mechanism J.Mol.Biol., 337, 2004
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1OFQ
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![BU of 1ofq by Molmil](/molmil-images/mine/1ofq) | CRYSTAL STRUCTURE OF THE TYROSINE-REGULATED 3-DEOXY-D-ARABINO-HEPTULOSONATE-7-PHOSPHATE SYNTHASE FROM SACCHAROMYCES CEREVISIAE IN COMPLEX WITH MANGANESE(II) | Descriptor: | MANGANESE (II) ION, PHOSPHO-2-DEHYDRO-3-DEOXYHEPTONATE ALDOLASE | Authors: | Koenig, V, Pfeil, A, Heinrich, G, Braus, G.H, Schneider, T.R. | Deposit date: | 2003-04-17 | Release date: | 2004-04-15 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | Substrate and Metal Complexes of 3-Deoxy-D-Arabino-Heptulosonate-7-Phosphate Synthase from Saccharomyces Cerevisiae Provide New Insights Into the Catalytic Mechanism J.Mol.Biol., 337, 2004
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1PGY
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![BU of 1pgy by Molmil](/molmil-images/mine/1pgy) | Solution structure of the UBA domain in Saccharomyces cerevisiae protein, Swa2p | Descriptor: | Swa2p | Authors: | Chim, N, Gall, W.E, Xiao, J, Harris, M.P, Graham, T.R, Krezel, A.M. | Deposit date: | 2003-05-28 | Release date: | 2004-03-23 | Last modified: | 2024-05-22 | Method: | SOLUTION NMR | Cite: | Solution structure of the ubiquitin-binding domain in Swa2p from Saccharomyces cerevisiae. PROTEINS: STRUCT.,FUNCT.,GENET., 54, 2004
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1U6Q
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![BU of 1u6q by Molmil](/molmil-images/mine/1u6q) | Substituted 2-Naphthamadine inhibitors of Urokinase | Descriptor: | TRANS-6-(2-PHENYLCYCLOPROPYL)-NAPHTHALENE-2-CARBOXAMIDINE, Urokinase-type plasminogen activator | Authors: | Bruncko, M, McClellan, W, Wendt, M.D, Sauer, D.R, Geyer, A, Dalton, C.R, Kaminski, M.K, Nienaber, V.L, Rockway, T.R, Giranda, V.L. | Deposit date: | 2004-07-30 | Release date: | 2004-10-19 | Last modified: | 2011-07-13 | Method: | X-RAY DIFFRACTION (2.02 Å) | Cite: | Naphthamidine urokinase plasminogen activator inhibitors with improved pharmacokinetic properties. Bioorg.Med.Chem.Lett., 15, 2005
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8FP6
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![BU of 8fp6 by Molmil](/molmil-images/mine/8fp6) | |