1LNB
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![BU of 1lnb by Molmil](/molmil-images/mine/1lnb) | A STRUCTURAL ANALYSIS OF METAL SUBSTITUTIONS IN THERMOLYSIN | Descriptor: | CALCIUM ION, DIMETHYL SULFOXIDE, FE (III) ION, ... | Authors: | Holland, D.R, Hausrath, A.C, Juers, D, Matthews, B.W. | Deposit date: | 1994-05-13 | Release date: | 1995-05-08 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Structural analysis of zinc substitutions in the active site of thermolysin. Protein Sci., 4, 1995
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3WYL
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![BU of 3wyl by Molmil](/molmil-images/mine/3wyl) | Crystal structure of the catalytic domain of PDE10A complexed with 5-methoxy-3-(1-phenyl-1H-pyrazol-5-yl)-1-(3-(trifluoromethyl)phenyl)pyridazin-4(1H)-one | Descriptor: | 5-methoxy-3-(1-phenyl-1H-pyrazol-5-yl)-1-[3-(trifluoromethyl)phenyl]pyridazin-4(1H)-one, MAGNESIUM ION, ZINC ION, ... | Authors: | Oki, H, Hayano, Y. | Deposit date: | 2014-09-01 | Release date: | 2014-11-19 | Last modified: | 2024-03-20 | Method: | X-RAY DIFFRACTION (2.68 Å) | Cite: | Discovery of 1-[2-fluoro-4-(1H-pyrazol-1-yl)phenyl]-5-methoxy-3-(1-phenyl-1H-pyrazol-5-yl)pyridazin-4(1H)-one (TAK-063), a highly potent, selective, and orally active phosphodiesterase 10A (PDE10A) inhibitor. J.Med.Chem., 57, 2014
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1LNE
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![BU of 1lne by Molmil](/molmil-images/mine/1lne) | A STRUCTURAL ANALYSIS OF METAL SUBSTITUTIONS IN THERMOLYSIN | Descriptor: | CADMIUM ION, CALCIUM ION, DIMETHYL SULFOXIDE, ... | Authors: | Holland, D.R, Hausrath, A.C, Juers, D, Matthews, B.W. | Deposit date: | 1994-05-13 | Release date: | 1995-05-08 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Structural analysis of zinc substitutions in the active site of thermolysin. Protein Sci., 4, 1995
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3NWX
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![BU of 3nwx by Molmil](/molmil-images/mine/3nwx) | X-ray structure of ester chemical analogue [O-Ile50,O-Ile50']HIV-1 protease complexed with KVS-1 inhibitor | Descriptor: | N~2~-[(2R,5S)-5-({(2S,3S)-2-[(N-acetyl-L-threonyl)amino]-3-methylpent-4-enoyl}amino)-2-butyl-4,4-dihydroxynonanoyl]-L-glutaminyl-L-argininamide, SULFATE ION, protease | Authors: | Torbeev, V.Y, Kent, S.B.H. | Deposit date: | 2010-07-12 | Release date: | 2011-11-02 | Last modified: | 2019-07-31 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Protein conformational dynamics in the mechanism of HIV-1 protease catalysis. Proc.Natl.Acad.Sci.USA, 108, 2011
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3NXN
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![BU of 3nxn by Molmil](/molmil-images/mine/3nxn) | X-ray structure of ester chemical analogue 'covalent dimer' [Ile50,O-Ile50']HIV-1 protease complexed with KVS-1 inhibitor | Descriptor: | N~2~-[(2R,5S)-5-({(2S,3S)-2-[(N-acetyl-L-threonyl)amino]-3-methylpent-4-enoyl}amino)-2-butyl-4,4-dihydroxynonanoyl]-L-glutaminyl-L-argininamide, SULFATE ION, protease covalent dimer | Authors: | Torbeev, V.Y, Kent, S.B.H. | Deposit date: | 2010-07-14 | Release date: | 2011-11-02 | Last modified: | 2019-07-31 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Protein conformational dynamics in the mechanism of HIV-1 protease catalysis. Proc.Natl.Acad.Sci.USA, 108, 2011
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3NYG
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![BU of 3nyg by Molmil](/molmil-images/mine/3nyg) | |
4JER
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![BU of 4jer by Molmil](/molmil-images/mine/4jer) | 1.1A resolution Apo structure of the hemophore HasA from Yersinia pestis (Tetragonal Form) | Descriptor: | Hemophore HasA, SODIUM ION | Authors: | Kumar, R, Lovell, S, Battaile, K.P, Rivera, M. | Deposit date: | 2013-02-27 | Release date: | 2013-04-24 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (1.1 Å) | Cite: | The Hemophore HasA from Yersinia pestis (HasAyp) Coordinates Hemin with a Single Residue, Tyr75, and with Minimal Conformational Change. Biochemistry, 52, 2013
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1LNF
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![BU of 1lnf by Molmil](/molmil-images/mine/1lnf) | |
1VFP
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![BU of 1vfp by Molmil](/molmil-images/mine/1vfp) | |
3NWQ
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1CUO
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![BU of 1cuo by Molmil](/molmil-images/mine/1cuo) | CRYSTAL STRUCTURE ANALYSIS OF ISOMER-2 AZURIN FROM METHYLOMONAS J | Descriptor: | COPPER (II) ION, PROTEIN (AZURIN ISO-2) | Authors: | Inoue, T, Nishio, N, Kai, Y, Suzuki, S, Kataoka, K. | Deposit date: | 1999-08-21 | Release date: | 2000-08-23 | Last modified: | 2011-07-13 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | The significance of the flexible loop in the azurin (Az-iso2) from the obligate methylotroph Methylomonas sp. strain J. J.Mol.Biol., 333, 2003
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1TCJ
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![BU of 1tcj by Molmil](/molmil-images/mine/1tcj) | |
4JES
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![BU of 4jes by Molmil](/molmil-images/mine/4jes) | 1.6A resolution Apo structure of the hemophore HasA from Yersinia pestis (Hexagonal Form) | Descriptor: | HEXAETHYLENE GLYCOL, Hemophore HasA, MALONATE ION, ... | Authors: | Kumar, R, Lovell, S, Battaile, K.P, Rivera, M. | Deposit date: | 2013-02-27 | Release date: | 2013-04-24 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | The Hemophore HasA from Yersinia pestis (HasAyp) Coordinates Hemin with a Single Residue, Tyr75, and with Minimal Conformational Change. Biochemistry, 52, 2013
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4JET
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![BU of 4jet by Molmil](/molmil-images/mine/4jet) | 2.2A resolution structure of Holo hemophore HasA from Yersinia pestis | Descriptor: | CHLORIDE ION, Hemophore HasA, PROTOPORPHYRIN IX CONTAINING FE | Authors: | Kumar, R, Lovell, S, Battaile, K.P, Rivera, M. | Deposit date: | 2013-02-27 | Release date: | 2013-04-24 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | The Hemophore HasA from Yersinia pestis (HasAyp) Coordinates Hemin with a Single Residue, Tyr75, and with Minimal Conformational Change. Biochemistry, 52, 2013
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1WTG
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![BU of 1wtg by Molmil](/molmil-images/mine/1wtg) | Human Factor Viia-Tissue Factor Complexed with ethylsulfonamide-D-biphenylalanine-Gln-p-aminobenzamidine | Descriptor: | 2-(3-BIPHENYL-4-YL-2-ETHANESULFONYLAMINO-PROPIONYLAMINO)-PENTANEDIOIC ACID 5-AMIDE 1-(4-CARBAMIMIDOYL-BENZYLAMIDE), CALCIUM ION, Coagulation factor VII, ... | Authors: | Kadono, S, Sakamoto, S, Kikuchi, Y, Oh-Eda, M, Yabuta, N, Kitazawa, K, Yoshihashi, T, Suzuki, T, Koga, T, Hattori, K, Shiraishi, T, Kodama, M, Haramura, H, Ono, Y, Esaki, T, Sato, H, Watanabe, Y, Itoh, S, Ohta, M, Kozono, T. | Deposit date: | 2004-11-23 | Release date: | 2005-11-23 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Novel interactions of large P3 moiety and small P4 moiety in the binding of the peptide mimetic factor VIIa inhibitor Biochem.Biophys.Res.Commun., 326, 2005
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1TLP
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![BU of 1tlp by Molmil](/molmil-images/mine/1tlp) | CRYSTALLOGRAPHIC STRUCTURAL ANALYSIS OF PHOSPHORAMIDATES AS INHIBITORS AND TRANSITION-STATE ANALOGS OF THERMOLYSIN | Descriptor: | CALCIUM ION, N-ALPHA-L-RHAMNOPYRANOSYLOXY(HYDROXYPHOSPHINYL)-L-LEUCYL-L-TRYPTOPHAN, THERMOLYSIN, ... | Authors: | Tronrud, D.E, Monzingo, A.F, Matthews, B.W. | Deposit date: | 1987-06-29 | Release date: | 1989-01-09 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Crystallographic structural analysis of phosphoramidates as inhibitors and transition-state analogs of thermolysin. Eur.J.Biochem., 157, 1986
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2DQS
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8GYH
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![BU of 8gyh by Molmil](/molmil-images/mine/8gyh) | Crystal structure of Fic25 (apo form) from Streptomyces ficellus | Descriptor: | DegT/DnrJ/EryC1/StrS family aminotransferase, GLYCEROL, IMIDAZOLE | Authors: | Kurosawa, S, Yoshida, A, Tomita, T, Nishiyama, M. | Deposit date: | 2022-09-22 | Release date: | 2023-02-22 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Mechanisms of Sugar Aminotransferase-like Enzymes to Synthesize Stereoisomers of Non-proteinogenic Amino Acids in Natural Product Biosynthesis. Acs Chem.Biol., 18, 2023
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8GYI
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![BU of 8gyi by Molmil](/molmil-images/mine/8gyi) | Crystal structure of Fic25 (holo form) from Streptomyces ficellus | Descriptor: | DegT/DnrJ/EryC1/StrS family aminotransferase, GLYCEROL, IMIDAZOLE, ... | Authors: | Kurosawa, S, Yoshida, A, Tomita, T, Nishiyama, M. | Deposit date: | 2022-09-22 | Release date: | 2023-02-22 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (1.93 Å) | Cite: | Mechanisms of Sugar Aminotransferase-like Enzymes to Synthesize Stereoisomers of Non-proteinogenic Amino Acids in Natural Product Biosynthesis. Acs Chem.Biol., 18, 2023
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8GYJ
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![BU of 8gyj by Molmil](/molmil-images/mine/8gyj) | Crystal structure of Fic25 complexed with PLP-(5S,6S)-N2-acetyl-DADH adduct from Streptomyces ficellus | Descriptor: | (2~{S},5~{S},6~{S})-2-acetamido-6-[[2-methyl-3-oxidanyl-5-(phosphonooxymethyl)pyridin-4-yl]methylamino]-5,7-bis(oxidanyl)heptanoic acid, DegT/DnrJ/EryC1/StrS family aminotransferase, GLYCEROL, ... | Authors: | Kurosawa, S, Yoshida, A, Tomita, T, Nishiyama, M. | Deposit date: | 2022-09-22 | Release date: | 2023-02-22 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (1.82 Å) | Cite: | Mechanisms of Sugar Aminotransferase-like Enzymes to Synthesize Stereoisomers of Non-proteinogenic Amino Acids in Natural Product Biosynthesis. Acs Chem.Biol., 18, 2023
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2ZZU
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![BU of 2zzu by Molmil](/molmil-images/mine/2zzu) | Human Factor VIIA-Tissue Factor Complexed with ethylsulfonamide-D-5-(3-carboxybenzyloxy)-Trp-Gln-p-aminobenzamidine | Descriptor: | 3-[[3-[(2R)-3-[[(2S)-5-amino-1-[(4-carbamimidoylphenyl)methylamino]-1,5-dioxo-pentan-2-yl]amino]-2-(ethylsulfonylamino)-3-oxo-propyl]-1H-indol-5-yl]oxymethyl]benzoic acid, CALCIUM ION, Factor VII heavy chain, ... | Authors: | Kadono, S, Sakamoto, A, Kikuchi, Y, Oh-Eda, M, Yabuta, N, Koga, T, Hattori, K, Shiraishi, T, Haramura, M, Sato, H, Ohta, M, Kozono, T. | Deposit date: | 2009-02-25 | Release date: | 2009-03-24 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Design and synthesis of peptidomimetic factor VIIa inhibitors Chem.Pharm.Bull., 58, 2010
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2EAT
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![BU of 2eat by Molmil](/molmil-images/mine/2eat) | Crystal structure of the SR CA2+-ATPASE with bound CPA and TG | Descriptor: | (6AR,11AS,11BR)-10-ACETYL-9-HYDROXY-7,7-DIMETHYL-2,6,6A,7,11A,11B-HEXAHYDRO-11H-PYRROLO[1',2':2,3]ISOINDOLO[4,5,6-CD]INDOL-11-ONE, OCTANOIC ACID [3S-[3ALPHA, 3ABETA, ... | Authors: | Takahashi, M, Kondou, Y, Toyoshima, C. | Deposit date: | 2007-02-02 | Release date: | 2007-03-27 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (2.9 Å) | Cite: | Interdomain communication in calcium pump as revealed in the crystal structures with transmembrane inhibitors Proc.Natl.Acad.Sci.Usa, 104, 2007
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2AGV
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![BU of 2agv by Molmil](/molmil-images/mine/2agv) | Crystal structure of the SR CA2+-ATPASE with BHQ and TG | Descriptor: | 2,5-DITERT-BUTYLBENZENE-1,4-DIOL, OCTANOIC ACID [3S-[3ALPHA, 3ABETA, ... | Authors: | Toyoshima, C, Obara, K, Norimatsu, Y. | Deposit date: | 2005-07-27 | Release date: | 2005-10-25 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Inaugural Article: Structural role of countertransport revealed in Ca2+ pump crystal structure in the absence of Ca2+. Proc.Natl.Acad.Sci.USA, 102, 2005
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2EAU
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![BU of 2eau by Molmil](/molmil-images/mine/2eau) | Crystal structure of the SR CA2+-ATPASE with bound CPA in the presence of curcumin | Descriptor: | (6AR,11AS,11BR)-10-ACETYL-9-HYDROXY-7,7-DIMETHYL-2,6,6A,7,11A,11B-HEXAHYDRO-11H-PYRROLO[1',2':2,3]ISOINDOLO[4,5,6-CD]INDOL-11-ONE, PHOSPHATIDYLETHANOLAMINE, Sarcoplasmic/endoplasmic reticulum calcium ATPase 1 | Authors: | Takahashi, M, Kondou, Y, Toyoshima, C. | Deposit date: | 2007-02-02 | Release date: | 2007-03-27 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Interdomain communication in calcium pump as revealed in the crystal structures with transmembrane inhibitors Proc.Natl.Acad.Sci.Usa, 104, 2007
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2EAR
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![BU of 2ear by Molmil](/molmil-images/mine/2ear) | P21 crystal of the SR CA2+-ATPase with bound TG | Descriptor: | OCTANOIC ACID [3S-[3ALPHA, 3ABETA, 4ALPHA, ... | Authors: | Takahashi, M, Kondou, Y, Toyoshima, C. | Deposit date: | 2007-02-02 | Release date: | 2007-03-27 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (3.1 Å) | Cite: | Interdomain communication in calcium pump as revealed in the crystal structures with transmembrane inhibitors Proc.Natl.Acad.Sci.Usa, 104, 2007
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