6E7D
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![BU of 6e7d by Molmil](/molmil-images/mine/6e7d) | Structure of the inhibitory NKR-P1B receptor bound to the host-encoded ligand, Clr-b | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, C-type lectin domain family 2 member D, Killer cell lectin-like receptor subfamily B member 1B allele B, ... | 著者 | Balaji, G.R, Rossjohn, J, Berry, R. | 登録日 | 2018-07-26 | 公開日 | 2018-10-24 | 最終更新日 | 2023-10-11 | 実験手法 | X-RAY DIFFRACTION (2.9 Å) | 主引用文献 | Recognition of host Clr-b by the inhibitory NKR-P1B receptor provides a basis for missing-self recognition. Nat Commun, 9, 2018
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6E9A
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![BU of 6e9a by Molmil](/molmil-images/mine/6e9a) | HIV-1 WILD TYPE PROTEASE WITH GRL-034-17A, (3aS, 5R, 6aR)-2-OXOHEXAHYD CYCLOPENTA[D]-5-OXAZOLYL URETHANE WITH A BICYCLIC OXAZOLIDINONE SCAFF AS THE P2 LIGAND | 分子名称: | (3aS,5R,6aR)-2-oxohexahydro-2H-cyclopenta[d][1,3]oxazol-5-yl [(2S,3R)-3-hydroxy-4-{[(4-methoxyphenyl)sulfonyl](2-methylpropyl)amino}-1-phenylbutan-2-yl]carbamate, CHLORIDE ION, FORMIC ACID, ... | 著者 | Wang, Y.-F, Agniswamy, J, Weber, I.T. | 登録日 | 2018-07-31 | 公開日 | 2018-11-07 | 最終更新日 | 2023-10-11 | 実験手法 | X-RAY DIFFRACTION (1.22 Å) | 主引用文献 | Design and Synthesis of Potent HIV-1 Protease Inhibitors Containing Bicyclic Oxazolidinone Scaffold as the P2 Ligands: Structure-Activity Studies and Biological and X-ray Structural Studies. J. Med. Chem., 61, 2018
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4CPU
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![BU of 4cpu by Molmil](/molmil-images/mine/4cpu) | Macrocyclic Transition-State Mimicking HIV-1 Protease Inhibitors Encompassing a Tertiary Alcohol | 分子名称: | CHLORIDE ION, PROTEASE, methyl N-[(2S)-1-[2-[[4-[(3S)-3,4-dihydrothiophen-3-yl]phenyl]methyl]-2-[3-[(3Z,8S,11R)-11-oxidanyl-7,10-bis(oxidanylidene)-8-propan-2-yl-6,9-diazabicyclo[11.2.2]heptadeca-1(16),3,13(17),14-tetraen-11-yl]propyl]hydrazinyl]-3,3-dimethyl-1-oxidanylidene-butan-2-yl]carbamate | 著者 | DeRosa, M, Unge, J, Motwani, H.V, Rosenquist, A, Vrang, L, Wallberg, H, Larhed, M. | 登録日 | 2014-02-08 | 公開日 | 2014-12-17 | 最終更新日 | 2024-05-01 | 実験手法 | X-RAY DIFFRACTION (1.82 Å) | 主引用文献 | Synthesis of P1'-Functionalized Macrocyclic Transition-State Mimicking HIV-1 Protease Inhibitors Encompassing a Tertiary Alcohol. J.Med.Chem., 57, 2014
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4COE
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![BU of 4coe by Molmil](/molmil-images/mine/4coe) | Macrocyclic Transition-State Mimicking HIV-1 Protease Inhibitors Encompassing a Tertiary Alcohol | 分子名称: | CHLORIDE ION, PROTEASE, methyl {(2S)-1-[2-(biphenyl-4-ylmethyl)-2-{(4R)-4-hydroxy-5-{[(2S)-3-methyl-1-oxo-1-(prop-2-en-1-ylamino)butan-2-yl]amino}-5-oxo-4-[4-(prop-2-en-1-yl)benzyl]pentyl}hydrazinyl]-3,3-dimethyl-1-oxobutan-2-yl}carbamate | 著者 | DeRosa, M, Unge, J, Motwani, H.V, Rosenquist, A, Vrang, L, Wallberg, H, Larhed, M. | 登録日 | 2014-01-28 | 公開日 | 2014-12-10 | 最終更新日 | 2024-05-01 | 実験手法 | X-RAY DIFFRACTION (2.45 Å) | 主引用文献 | Synthesis of P1'-Functionalized Macrocyclic Transition-State Mimicking HIV-1 Protease Inhibitors Encompassing a Tertiary Alcohol. J.Med.Chem., 57, 2014
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6E8H
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![BU of 6e8h by Molmil](/molmil-images/mine/6e8h) | Legionella Longbeachae LeSH (Llo2327) | 分子名称: | CHLORIDE ION, LeSH (Llo2327) | 著者 | Kaneko, T, Li, S.S.C. | 登録日 | 2018-07-29 | 公開日 | 2018-11-14 | 最終更新日 | 2024-03-13 | 実験手法 | X-RAY DIFFRACTION (1.68 Å) | 主引用文献 | Identification and characterization of a large family of superbinding bacterial SH2 domains. Nat Commun, 9, 2018
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3NAR
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![BU of 3nar by Molmil](/molmil-images/mine/3nar) | Crystal structure of ZHX1 HD4 (zinc-fingers and homeoboxes protein 1, homeodomain 4) | 分子名称: | SULFATE ION, Zinc fingers and homeoboxes protein 1 | 著者 | Ren, J, Bird, L.E, Owens, R.J, Stammers, D.K, Oxford Protein Production Facility (OPPF) | 登録日 | 2010-06-02 | 公開日 | 2010-07-07 | 最終更新日 | 2023-11-01 | 実験手法 | X-RAY DIFFRACTION (2.6 Å) | 主引用文献 | Novel structural features in two ZHX homeodomains derived from a systematic study of single and multiple domains Bmc Struct.Biol., 10, 2010
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3NBS
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![BU of 3nbs by Molmil](/molmil-images/mine/3nbs) | Crystal structure of dimeric cytochrome c from horse heart | 分子名称: | Cytochrome c, DI(HYDROXYETHYL)ETHER, HEME C, ... | 著者 | Taketa, M, Komori, H, Hirota, S, Higuchi, Y. | 登録日 | 2010-06-04 | 公開日 | 2010-07-14 | 最終更新日 | 2023-11-01 | 実験手法 | X-RAY DIFFRACTION (2.2 Å) | 主引用文献 | Cytochrome c polymerization by successive domain swapping at the C-terminal helix Proc.Natl.Acad.Sci.USA, 107, 2010
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6E94
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![BU of 6e94 by Molmil](/molmil-images/mine/6e94) | Crystal Structure of ZBTB38 C-terminal Zinc Fingers 6-9 K1055R in complex with methylated DNA | 分子名称: | DNA (5'-D(*GP*CP*AP*CP*TP*CP*AP*TP*(DCM)P*GP*GP*(DCM)P*GP*CP*AP*GP*AP*C)-3'), DNA (5'-D(*GP*TP*CP*TP*GP*(DCM)P*GP*CP*(DCM)P*GP*AP*TP*GP*AP*GP*TP*GP*C)-3'), ZINC ION, ... | 著者 | Hudson, N.O, Whitby, F.G, Buck-Koehntop, B.A. | 登録日 | 2018-07-31 | 公開日 | 2018-11-07 | 最終更新日 | 2024-03-13 | 実験手法 | X-RAY DIFFRACTION (1.594 Å) | 主引用文献 | Structural insights into methylated DNA recognition by the C-terminal zinc fingers of the DNA reader protein ZBTB38. J. Biol. Chem., 293, 2018
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6EGZ
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![BU of 6egz by Molmil](/molmil-images/mine/6egz) | Crystal structure of cytochrome c in complex with di-PEGylated sulfonatocalix[4]arene | 分子名称: | Cytochrome c iso-1, HEME C, SODIUM ION, ... | 著者 | Mummidivarapu, V.V.S, Rennie, M.L, Crowley, P.B. | 登録日 | 2017-09-12 | 公開日 | 2018-10-10 | 最終更新日 | 2024-01-17 | 実験手法 | X-RAY DIFFRACTION (2.17 Å) | 主引用文献 | Noncovalent PEGylation via Sulfonatocalix[4]arene-A Crystallographic Proof. Bioconjug.Chem., 29, 2018
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3NHA
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![BU of 3nha by Molmil](/molmil-images/mine/3nha) | Nucleotide Binding Domain of Human ABCB6 (ADP Mg bound structure) | 分子名称: | ADENOSINE-5'-DIPHOSPHATE, ATP-binding cassette sub-family B member 6, mitochondrial, ... | 著者 | Haffke, M, Menzel, A, Carius, Y, Jahn, D, Heinz, D.W. | 登録日 | 2010-06-14 | 公開日 | 2010-08-25 | 最終更新日 | 2023-09-06 | 実験手法 | X-RAY DIFFRACTION (2.1 Å) | 主引用文献 | Structures of the nucleotide-binding domain of the human ABCB6 transporter and its complexes with nucleotides. Acta Crystallogr.,Sect.D, 66, 2010
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3NHM
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7CZI
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![BU of 7czi by Molmil](/molmil-images/mine/7czi) | |
7DDU
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![BU of 7ddu by Molmil](/molmil-images/mine/7ddu) | Elephant seal myoglobin esMb | 分子名称: | Myoglobin, PROTOPORPHYRIN IX CONTAINING FE, SULFATE ION | 著者 | Isogai, Y, Imamura, H, Nakae, S, Sumi, T, Takahashi, K, Shirai, T. | 登録日 | 2020-10-29 | 公開日 | 2021-09-08 | 最終更新日 | 2023-11-29 | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | 主引用文献 | Common and unique strategies of myoglobin evolution for deep-sea adaptation of diving mammals. Iscience, 24, 2021
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7D0T
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4CPW
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![BU of 4cpw by Molmil](/molmil-images/mine/4cpw) | Macrocyclic Transition-State Mimicking HIV-1 Protease Inhibitors Encompassing a Tertiary Alcohol | 分子名称: | CHLORIDE ION, PROTEASE, methyl N-[(2S)-1-[2-[[4-[(3S)-3,4-dihydrothiophen-3-yl]phenyl]methyl]-2-[3-[(3Z,8S,11R)-11-oxidanyl-7,10-bis(oxidanylidene)-8-propan-2-yl-6,9-diazabicyclo[11.2.2]heptadeca-1(16),3,13(17),14-tetraen-11-yl]propyl]hydrazinyl]-3,3-dimethyl-1-oxidanylidene-butan-2-yl]carbamate | 著者 | DeRosa, M, Unge, J, Motwani, H.V, Rosenquist, A, Vrang, L, Wallberg, H, Larhed, M. | 登録日 | 2014-02-08 | 公開日 | 2014-12-17 | 最終更新日 | 2024-05-01 | 実験手法 | X-RAY DIFFRACTION (1.7 Å) | 主引用文献 | Synthesis of P1'-Functionalized Macrocyclic Transition-State Mimicking HIV-1 Protease Inhibitors Encompassing a Tertiary Alcohol. J.Med.Chem., 57, 2014
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7D0U
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7D1F
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6EKG
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3NDT
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![BU of 3ndt by Molmil](/molmil-images/mine/3ndt) | HIV-1 Protease Saquinavir:Ritonavir 1:1 complex structure | 分子名称: | (2S)-N-[(2S,3R)-4-[(2S,3S,4aS,8aS)-3-(tert-butylcarbamoyl)-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl]-3-hydroxy-1 -phenyl-butan-2-yl]-2-(quinolin-2-ylcarbonylamino)butanediamide, CHLORIDE ION, DIMETHYL SULFOXIDE, ... | 著者 | Geremia, S, Olajuyigbe, F.M, Demitri, N. | 登録日 | 2010-06-08 | 公開日 | 2011-07-20 | 最終更新日 | 2023-09-06 | 実験手法 | X-RAY DIFFRACTION (1.72 Å) | 主引用文献 | Investigation of 2-Fold Disorder of Inhibitors and Relative Potency by Crystallizations of HIV-1 Protease in Ritonavir and Saquinavir Mixtures Cryst.Growth Des., 11, 2011
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4D89
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![BU of 4d89 by Molmil](/molmil-images/mine/4d89) | Crystal Structure of Human Beta Secretase in Complex with NVP-BXD552, derived from a soaking experiment | 分子名称: | (3S,4S,5R)-3-(4-amino-3-{[(2R)-3-ethoxy-1,1,1-trifluoropropan-2-yl]oxy}-5-fluorobenzyl)-5-[(3-tert-butylbenzyl)amino]tetrahydro-2H-thiopyran-4-ol 1,1-dioxide, Beta-secretase 1 | 著者 | Rondeau, J.M, Bourgier, E. | 登録日 | 2012-01-10 | 公開日 | 2012-11-21 | 実験手法 | X-RAY DIFFRACTION (1.65 Å) | 主引用文献 | Discovery of cyclic sulfone hydroxyethylamines as potent and selective beta-site APP-cleaving enzyme 1 (BACE1) inhibitors: structure based design and in vivo reduction of amyloid beta-peptides J.Med.Chem., 55, 2012
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6EOC
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![BU of 6eoc by Molmil](/molmil-images/mine/6eoc) | Crystal structure of AMPylated GRP78 in apo form (Crystal form 2) | 分子名称: | 78 kDa glucose-regulated protein, CITRATE ANION, SULFATE ION | 著者 | Yan, Y, Preissler, S, Ron, D, Read, R.J. | 登録日 | 2017-10-09 | 公開日 | 2017-11-01 | 最終更新日 | 2024-01-17 | 実験手法 | X-RAY DIFFRACTION (1.67 Å) | 主引用文献 | AMPylation targets the rate-limiting step of BiP's ATPase cycle for its functional inactivation. Elife, 6, 2017
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3NC5
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4CMS
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![BU of 4cms by Molmil](/molmil-images/mine/4cms) | X-RAY ANALYSES OF ASPARTIC PROTEINASES IV. STRUCTURE AND REFINEMENT AT 2.2 ANGSTROMS RESOLUTION OF BOVINE CHYMOSIN | 分子名称: | CHYMOSIN B | 著者 | Newman, M, Frazao, C, Khan, G, Tickle, I.J, Blundell, T.L, Safro, M, Andreeva, N, Zdanov, A. | 登録日 | 1991-11-01 | 公開日 | 1991-11-07 | 最終更新日 | 2017-11-29 | 実験手法 | X-RAY DIFFRACTION (2.2 Å) | 主引用文献 | X-ray analyses of aspartic proteinases. IV. Structure and refinement at 2.2 A resolution of bovine chymosin. J.Mol.Biol., 221, 1991
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4CP4
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6E6P
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![BU of 6e6p by Molmil](/molmil-images/mine/6e6p) | HRAS G13D bound to GppNHp (Ha,b,c13GNP) | 分子名称: | CALCIUM ION, GLYCEROL, GTPase HRas, ... | 著者 | Johnson, C.W, Mattos, C. | 登録日 | 2018-07-25 | 公開日 | 2019-07-31 | 最終更新日 | 2024-03-13 | 実験手法 | X-RAY DIFFRACTION (1.93 Å) | 主引用文献 | Isoform-Specific Destabilization of the Active Site Reveals a Molecular Mechanism of Intrinsic Activation of KRas G13D. Cell Rep, 28, 2019
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