7YAI
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![BU of 7yai by Molmil](/molmil-images/mine/7yai) | CryoEM structure of SPCA1a in E1-Ca-AMPPCP state subclass 3 | Descriptor: | CALCIUM ION, Calcium-transporting ATPase type 2C member 1, Nanobody head piece of megabody, ... | Authors: | Chen, Z, Watanabe, S, Inaba, K. | Deposit date: | 2022-06-28 | Release date: | 2023-03-22 | Method: | ELECTRON MICROSCOPY (3.14 Å) | Cite: | Cryo-EM structures of human SPCA1a reveal the mechanism of Ca 2+ /Mn 2+ transport into the Golgi apparatus. Sci Adv, 9, 2023
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7YAJ
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![BU of 7yaj by Molmil](/molmil-images/mine/7yaj) | CryoEM structure of SPCA1a in E1-Mn-AMPPCP state subclass 1 | Descriptor: | Calcium-transporting ATPase type 2C member 1, MANGANESE (II) ION, Nanobody head piece of megabody, ... | Authors: | Chen, Z, Watanabe, S, Inaba, K. | Deposit date: | 2022-06-28 | Release date: | 2023-03-22 | Method: | ELECTRON MICROSCOPY (3.16 Å) | Cite: | Cryo-EM structures of human SPCA1a reveal the mechanism of Ca 2+ /Mn 2+ transport into the Golgi apparatus. Sci Adv, 9, 2023
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4OV6
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![BU of 4ov6 by Molmil](/molmil-images/mine/4ov6) | Crystal structure of PCSK9(53-451) with Adnectin | Descriptor: | 1,2-ETHANEDIOL, Adnectin, Proprotein convertase subtilisin/kexin type 9, ... | Authors: | Khan, J.A. | Deposit date: | 2014-02-20 | Release date: | 2014-07-02 | Last modified: | 2017-11-22 | Method: | X-RAY DIFFRACTION (2.69 Å) | Cite: | Pharmacologic Profile of the Adnectin BMS-962476, a Small Protein Biologic Alternative to PCSK9 Antibodies for Low-Density Lipoprotein Lowering. J.Pharmacol.Exp.Ther., 350, 2014
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3GTA
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![BU of 3gta by Molmil](/molmil-images/mine/3gta) | Structure of an ML-IAP/XIAP chimera bound to a peptidomimetic | Descriptor: | 1,2-ETHANEDIOL, 2-[BIS-(2-HYDROXY-ETHYL)-AMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Baculoviral IAP repeat-containing 7, ... | Authors: | Franklin, M.C, Fairbrother, W.J, Cohen, F. | Deposit date: | 2009-03-27 | Release date: | 2010-03-09 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Antagonists of inhibitor of apoptosis proteins based on thiazole amide isosteres. Bioorg.Med.Chem.Lett., 20, 2010
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1RS8
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![BU of 1rs8 by Molmil](/molmil-images/mine/1rs8) | Bovine endothelial NOS heme domain with D-lysine-D-nitroarginine amide bound | Descriptor: | 5,6,7,8-TETRAHYDROBIOPTERIN, ACETATE ION, CACODYLATE ION, ... | Authors: | Flinspach, M, Li, H, Jamal, J, Yang, W, Huang, H, Silverman, R.B, Poulos, T.L. | Deposit date: | 2003-12-09 | Release date: | 2004-06-15 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Structures of the neuronal and endothelial nitric oxide synthase heme domain with D-nitroarginine-containing dipeptide inhibitors bound. Biochemistry, 43, 2004
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1RS6
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![BU of 1rs6 by Molmil](/molmil-images/mine/1rs6) | Rat neuronal NOS heme domain with D-lysine-D-nitroarginine amide bound | Descriptor: | 5,6,7,8-TETRAHYDROBIOPTERIN, ACETATE ION, D-MANNITOL, ... | Authors: | Flinspach, M, Li, H, Jamal, J, Yang, W, Huang, H, Silverman, R.B, Poulos, T.L. | Deposit date: | 2003-12-09 | Release date: | 2004-05-18 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (1.95 Å) | Cite: | Structures of the Neuronal and Endothelial Nitric Oxide Synthase Heme Domain with d-Nitroarginine-Containing Dipeptide Inhibitors Bound. Biochemistry, 43, 2004
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7E7F
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![BU of 7e7f by Molmil](/molmil-images/mine/7e7f) | Human CYP11B1 mutant in complex with metyrapone | Descriptor: | CHOLIC ACID, Cytochrome P450 11B1, mitochondrial, ... | Authors: | Mukai, K, Sugimoto, H, Reiko, S, Matsuura, T, Hishiki, T, Kagawa, N. | Deposit date: | 2021-02-26 | Release date: | 2022-01-05 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (1.4 Å) | Cite: | Spatially restricted substrate-binding site of cortisol-synthesizing CYP11B1 limits multiple hydroxylations and hinders aldosterone synthesis. Curr Res Struct Biol, 3, 2021
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7WDT
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![BU of 7wdt by Molmil](/molmil-images/mine/7wdt) | 6-sulfo-beta-D-N-acetylglucosaminidase from Bifidobacterium bifidum in complex with GlcNAc-6S | Descriptor: | 2-acetamido-2-deoxy-6-O-sulfo-alpha-D-glucopyranose, 2-acetamido-2-deoxy-6-O-sulfo-beta-D-glucopyranose, Beta-N-acetylhexosaminidase, ... | Authors: | Yamada, C, Kashima, T, Fushinobu, S, Katoh, T, Katayama, T. | Deposit date: | 2021-12-22 | Release date: | 2022-12-28 | Last modified: | 2023-06-14 | Method: | X-RAY DIFFRACTION (1.65 Å) | Cite: | A bacterial sulfoglycosidase highlights mucin O-glycan breakdown in the gut ecosystem. Nat.Chem.Biol., 19, 2023
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7WDU
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![BU of 7wdu by Molmil](/molmil-images/mine/7wdu) | 6-sulfo-beta-D-N-acetylglucosaminidase from Bifidobacterium bifidum in complex with PUGNAc-6S | Descriptor: | Beta-N-acetylhexosaminidase, CALCIUM ION, [[(3R,4R,5S,6R)-3-acetamido-4,5-bis(oxidanyl)-6-(sulfooxymethyl)oxan-2-ylidene]amino] N-phenylcarbamate | Authors: | Kashima, T, Yamada, C, Fushinobu, S, Katoh, T, Katayama, T. | Deposit date: | 2021-12-22 | Release date: | 2022-12-28 | Last modified: | 2023-06-14 | Method: | X-RAY DIFFRACTION (2.23 Å) | Cite: | A bacterial sulfoglycosidase highlights mucin O-glycan breakdown in the gut ecosystem. Nat.Chem.Biol., 19, 2023
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4K69
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![BU of 4k69 by Molmil](/molmil-images/mine/4k69) | Crystal Structure of Human Chymase in Complex with Fragment Linked Benzimidazolone Inhibitor: (3S)-3-{3-[(6-bromo-2-oxo-2,3-dihydro-1H-indol-4-yl)methyl]-2-oxo-2,3-dihydro-1H-benzimidazol-1-yl}hexanoic acid | Descriptor: | (3S)-3-{3-[(6-bromo-2-oxo-2,3-dihydro-1H-indol-4-yl)methyl]-2-oxo-2,3-dihydro-1H-benzimidazol-1-yl}hexanoic acid, 2-acetamido-2-deoxy-beta-D-glucopyranose, Chymase, ... | Authors: | Collins, B.K, Padyana, A.K. | Deposit date: | 2013-04-15 | Release date: | 2013-05-29 | Last modified: | 2020-07-29 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | Discovery of Potent, Selective Chymase Inhibitors via Fragment Linking Strategies. J.Med.Chem., 56, 2013
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7C7W
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![BU of 7c7w by Molmil](/molmil-images/mine/7c7w) | Vitamin D3 receptor/lithochoric acid derivative complex | Descriptor: | (4R)-4-[(3S,5R,8R,9S,10S,13R,14S,17R)-10,13-dimethyl-3-(2-methyl-2-oxidanyl-propyl)-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoic acid, FORMIC ACID, Mediator of RNA polymerase II transcription subunit 1, ... | Authors: | Masuno, H, Numoto, N, Kagechika, H, Ito, N. | Deposit date: | 2020-05-26 | Release date: | 2021-01-20 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Lithocholic Acid Derivatives as Potent Vitamin D Receptor Agonists. J.Med.Chem., 64, 2021
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1RS7
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![BU of 1rs7 by Molmil](/molmil-images/mine/1rs7) | Rat neuronal NOS heme domain with D-phenylalanine-D-nitroarginine amide bound | Descriptor: | 5,6,7,8-TETRAHYDROBIOPTERIN, ACETATE ION, D-MANNITOL, ... | Authors: | Flinspach, M, Li, H, Jamal, J, Yang, W, Huang, H, Silverman, R.B, Poulos, T.L. | Deposit date: | 2003-12-09 | Release date: | 2004-05-18 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (1.95 Å) | Cite: | Structures of the Neuronal and Endothelial Nitric Oxide Synthase Heme Domain with d-Nitroarginine-Containing Dipeptide Inhibitors Bound. Biochemistry, 43, 2004
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4K60
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![BU of 4k60 by Molmil](/molmil-images/mine/4k60) | Crystal Structure of Human Chymase in Complex with Fragment 6-bromo-1,3-dihydro-2H-indol-2-one | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 6-bromo-1,3-dihydro-2H-indol-2-one, Chymase, ... | Authors: | Collins, B.K, Padyana, A.K. | Deposit date: | 2013-04-15 | Release date: | 2013-05-29 | Last modified: | 2020-07-29 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | Discovery of Potent, Selective Chymase Inhibitors via Fragment Linking Strategies. J.Med.Chem., 56, 2013
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3GT9
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![BU of 3gt9 by Molmil](/molmil-images/mine/3gt9) | Structure of an ML-IAP/XIAP chimera bound to a peptidomimetic | Descriptor: | Baculoviral IAP repeat-containing 7, N-{(1S)-1-cyclohexyl-2-[(2S)-2-(4-naphthalen-1-yl-1,3-thiazol-2-yl)pyrrolidin-1-yl]-2-oxoethyl}-N~2~-methyl-L-alaninamide, ZINC ION | Authors: | Franklin, M.C, Fairbrother, W.J, Cohen, F. | Deposit date: | 2009-03-27 | Release date: | 2010-03-09 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Antagonists of inhibitor of apoptosis proteins based on thiazole amide isosteres. Bioorg.Med.Chem.Lett., 20, 2010
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3B0X
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![BU of 3b0x by Molmil](/molmil-images/mine/3b0x) | K263A mutant of PolX from Thermus thermophilus HB8 complexed with Ca-dGTP | Descriptor: | 2'-DEOXYGUANOSINE-5'-TRIPHOSPHATE, CALCIUM ION, CHLORIDE ION, ... | Authors: | Nakane, S, Nakagawa, N, Masui, R, Kuramitsu, S, RIKEN Structural Genomics/Proteomics Initiative (RSGI) | Deposit date: | 2011-06-17 | Release date: | 2012-05-02 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (1.36 Å) | Cite: | The structural basis of the kinetic mechanism of a gap-filling X-family DNA polymerase that binds Mg(2+)-dNTP before binding to DNA. J.Mol.Biol., 417, 2012
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6A86
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![BU of 6a86 by Molmil](/molmil-images/mine/6a86) | Pholiota squarrosa lectin | Descriptor: | (3R)-butane-1,3-diol, lectin | Authors: | Yamasaki, K, Yamasaki, T, Kubota, T. | Deposit date: | 2018-07-06 | Release date: | 2019-04-10 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Structural basis for specific recognition of core fucosylation in N-glycans by Pholiota squarrosa lectin (PhoSL). Glycobiology, 29, 2019
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1RS9
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![BU of 1rs9 by Molmil](/molmil-images/mine/1rs9) | Bovine endothelial NOS heme domain with D-phenylalanine-D-nitroarginine amide bound | Descriptor: | 5,6,7,8-TETRAHYDROBIOPTERIN, ACETATE ION, CACODYLATE ION, ... | Authors: | Flinspach, M, Li, H, Jamal, J, Yang, W, Huang, H, Silverman, R.B, Poulos, T.L. | Deposit date: | 2003-12-09 | Release date: | 2004-06-15 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (2.22 Å) | Cite: | Structures of the neuronal and endothelial nitric oxide synthase heme domain with D-nitroarginine-containing dipeptide inhibitors bound. Biochemistry, 43, 2004
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4K5Z
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![BU of 4k5z by Molmil](/molmil-images/mine/4k5z) | Crystal Structure of Human Chymase in Complex with Fragment Inhibitor 6-chloro-2,3-dihydro-1H-isoindol-1-one | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 6-chloro-2,3-dihydro-1H-isoindol-1-one, Chymase, ... | Authors: | Collins, B.K, Padyana, A.K. | Deposit date: | 2013-04-15 | Release date: | 2013-05-29 | Last modified: | 2020-07-29 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Discovery of Potent, Selective Chymase Inhibitors via Fragment Linking Strategies. J.Med.Chem., 56, 2013
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3F7Z
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![BU of 3f7z by Molmil](/molmil-images/mine/3f7z) | X-ray Co-Crystal Structure of Glycogen Synthase Kinase 3beta in Complex with an Inhibitor | Descriptor: | 2-(1,3-benzodioxol-5-yl)-5-[(3-fluoro-4-methoxybenzyl)sulfanyl]-1,3,4-oxadiazole, Glycogen synthase kinase-3 beta | Authors: | Mol, C.D, Dougan, D.R. | Deposit date: | 2008-11-10 | Release date: | 2009-03-10 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Design, synthesis and structure-activity relationships of 1,3,4-oxadiazole derivatives as novel inhibitors of glycogen synthase kinase-3beta. Bioorg.Med.Chem., 17, 2009
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6WYA
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![BU of 6wya by Molmil](/molmil-images/mine/6wya) | RTX (Reverse Transcription Xenopolymerase) in complex with a DNA duplex and dAMPNPP | Descriptor: | 1,2-ETHANEDIOL, 2'-deoxy-5'-O-[(R)-hydroxy{[(R)-hydroxy(phosphonooxy)phosphoryl]amino}phosphoryl]adenosine, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, ... | Authors: | Choi, W.S, He, P, Pothukuchy, A, Gollihar, J, Ellington, A.D, Yang, W. | Deposit date: | 2020-05-12 | Release date: | 2020-08-19 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.41 Å) | Cite: | How a B family DNA polymerase has been evolved to copy RNA. Proc.Natl.Acad.Sci.USA, 117, 2020
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6WYB
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![BU of 6wyb by Molmil](/molmil-images/mine/6wyb) | RTX (Reverse Transcription Xenopolymerase) in complex with an RNA/DNA hybrid | Descriptor: | 1,2-ETHANEDIOL, 3,3',3''-phosphanetriyltripropanoic acid, DNA polymerase, ... | Authors: | Choi, W.S, He, P, Pothukuchy, A, Gollihar, J, Ellington, A.D, Yang, W. | Deposit date: | 2020-05-12 | Release date: | 2020-08-19 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | How a B family DNA polymerase has been evolved to copy RNA. Proc.Natl.Acad.Sci.USA, 117, 2020
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6JMF
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3HP2
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![BU of 3hp2 by Molmil](/molmil-images/mine/3hp2) | Crystal Structure of Human p38alpha complexed with a pyridinone compound | Descriptor: | 1-benzyl-4-(benzyloxy)-3-bromopyridin-2(1H)-one, 2-fluoro-4-[4-(4-fluorophenyl)-1H-pyrazol-3-yl]pyridine, Mitogen-activated protein kinase 14 | Authors: | Shieh, H.-S, Williams, J.M, Stegeman, R.A, Kurumbail, R.G. | Deposit date: | 2009-06-03 | Release date: | 2009-09-29 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (2.15 Å) | Cite: | Discovery of N-substituted pyridinones as potent and selective inhibitors of p38 kinase. Bioorg.Med.Chem.Lett., 19, 2009
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8IJW
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![BU of 8ijw by Molmil](/molmil-images/mine/8ijw) | Cryo-EM structure of the gastric proton pump with bound DQ-06 | Descriptor: | 1,2-DIOLEOYL-SN-GLYCERO-3-PHOSPHOCHOLINE, 2-acetamido-2-deoxy-beta-D-glucopyranose, CHOLESTEROL, ... | Authors: | Abe, K, Yokoshima, S, Yoshimori, A. | Deposit date: | 2023-02-28 | Release date: | 2023-08-30 | Last modified: | 2023-10-04 | Method: | ELECTRON MICROSCOPY (2.19 Å) | Cite: | Deep learning driven de novo drug design based on gastric proton pump structures. Commun Biol, 6, 2023
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8IJX
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![BU of 8ijx by Molmil](/molmil-images/mine/8ijx) | Cryo-EM structure of the gastric proton pump with bound DQ-18 | Descriptor: | 1,2-DIOLEOYL-SN-GLYCERO-3-PHOSPHOCHOLINE, 1-[4-[(5-chloranyl-2-phenylmethoxy-phenyl)methoxy]phenyl]-N-methyl-methanamine, 2-acetamido-2-deoxy-beta-D-glucopyranose, ... | Authors: | Abe, K, Yokoshima, S, Yoshimori, A. | Deposit date: | 2023-02-28 | Release date: | 2023-08-30 | Last modified: | 2023-10-04 | Method: | ELECTRON MICROSCOPY (2.08 Å) | Cite: | Deep learning driven de novo drug design based on gastric proton pump structures. Commun Biol, 6, 2023
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