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4R7M
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BU of 4r7m by Molmil
Structure of the m17 leucyl aminopeptidase from malaria complexed with a hydroxamic acid-based inhibitor
分子名称: 4-amino-N-{(1R)-2-(hydroxyamino)-2-oxo-1-[4-(1H-pyrazol-1-yl)phenyl]ethyl}benzamide, CARBONATE ION, DIMETHYL SULFOXIDE, ...
著者Drinkwater, N, Mcgowan, S.
登録日2014-08-28
公開日2014-10-29
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2.85 Å)
主引用文献Two-Pronged Attack: Dual Inhibition of Plasmodium falciparum M1 and M17 Metalloaminopeptidases by a Novel Series of Hydroxamic Acid-Based Inhibitors.
J.Med.Chem., 57, 2014
3DU8
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BU of 3du8 by Molmil
Crystal structure of GSK-3 beta in complex with NMS-869553A
分子名称: (7S)-2-(2-aminopyrimidin-4-yl)-7-(2-fluoroethyl)-1,5,6,7-tetrahydro-4H-pyrrolo[3,2-c]pyridin-4-one, Glycogen synthase kinase-3 beta
著者Bossi, R.T.
登録日2008-07-17
公開日2009-03-03
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献First Cdc7 kinase inhibitors: pyrrolopyridinones as potent and orally active antitumor agents. 2. Lead discovery.
J.Med.Chem., 52, 2009
3DUU
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BU of 3duu by Molmil
Crystal structure of SAG506-01, orthorhombic, twinned, crystal 2
分子名称: 3-deoxy-alpha-D-manno-oct-2-ulopyranosonic acid, Ig-like protein, MAGNESIUM ION, ...
著者Brooks, C.L, Blackler, R.J, Gerstenbruch, S, Kosma, P, Muller-Loennies, S, Brade, H, Evans, S.V.
登録日2008-07-17
公開日2008-12-02
最終更新日2020-07-29
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献Pseudo-symmetry and twinning in crystals of homologous antibody Fv fragments.
Acta Crystallogr.,Sect.D, 64, 2008
3DV3
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BU of 3dv3 by Molmil
MEK1 with PF-04622664 Bound
分子名称: 3,4-difluoro-2-[(2-fluoro-4-iodophenyl)amino]-N-(2-hydroxyethoxy)-5-[(2-hydroxyethoxy)methyl]benzamide, ADENOSINE-5'-TRIPHOSPHATE, Dual specificity mitogen-activated protein kinase kinase 1, ...
著者Kazmirski, S.L, Kothe, M, Ding, Y.-H.
登録日2008-07-18
公開日2009-07-21
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Beyond the MEK-pocket: can current MEK kinase inhibitors be utilized to synthesize novel type III NCKIs? Does the MEK-pocket exist in kinases other than MEK?
Bioorg.Med.Chem.Lett., 19, 2009
4RDO
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BU of 4rdo by Molmil
Structure of YTH-YTHDF2 in the free state
分子名称: SULFATE ION, YTH domain-containing family protein 2
著者Li, F.D, Zhao, D.B, Wu, J.H, Shi, Y.Y.
登録日2014-09-19
公開日2014-12-24
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.15 Å)
主引用文献Structure of the YTH domain of human YTHDF2 in complex with an m(6)A mononucleotide reveals an aromatic cage for m(6)A recognition.
Cell Res., 24, 2014
3DVE
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BU of 3dve by Molmil
Crystal Structure of Ca2+/CaM-CaV2.2 IQ domain complex
分子名称: CALCIUM ION, Calmodulin, NICKEL (II) ION, ...
著者Kim, E.Y, Rumpf, C.H, Fujiwara, Y, Cooley, E.S, Van Petegem, F, Minor, D.L.
登録日2008-07-18
公開日2008-11-04
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (2.35 Å)
主引用文献Structures of Ca(V)2 Ca(2+)/CaM-IQ Domain Complexes Reveal Binding Modes that Underlie Calcium-Dependent Inactivation and Facilitation.
Structure, 16, 2008
3DVM
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BU of 3dvm by Molmil
Crystal Structure of Ca2+/CaM-CaV2.1 IQ domain complex
分子名称: CALCIUM ION, Calmodulin, Voltage-dependent P/Q-type calcium channel subunit alpha-1A
著者Kim, E.Y, Rumpf, C.H, Fujiwara, Y, Cooley, E.S, Van Petegem, F, Minor, D.L.
登録日2008-07-18
公開日2008-11-04
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Structures of Ca(V)2 Ca(2+)/CaM-IQ Domain Complexes Reveal Binding Modes that Underlie Calcium-Dependent Inactivation and Facilitation.
Structure, 16, 2008
4RE8
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BU of 4re8 by Molmil
Crystal Structure of TR3 LBD in complex with Molecule 5
分子名称: 1-(3,4,5-trihydroxyphenyl)dodecan-1-one, GLYCEROL, Nuclear receptor subfamily 4 group A member 1
著者Li, F.W, Cai, Q.X, Li, A.Z, Tian, X.Y, Weijia, W, Yuan, W, Hou, P.P, Wu, Q, Lin, T.W.
登録日2014-09-22
公開日2015-09-09
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (2.16 Å)
主引用文献Induction of Autophagic Death in Cancer Cells by Agonizing TR3 and Attenuating Akt2 Activity
Chem.Biol., 22, 2015
3DX1
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BU of 3dx1 by Molmil
Golgi alpha-Mannosidase II in complex with Mannostatin analog (1S,2S,3R,4R)-4-aminocyclopentane-1,2,3-triol
分子名称: (1S,2S,3R,4R)-4-aminocyclopentane-1,2,3-triol, (4R)-2-METHYLPENTANE-2,4-DIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, ...
著者Kuntz, D.A, Rose, D.R.
登録日2008-07-23
公開日2009-07-07
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (1.21 Å)
主引用文献The molecular basis of inhibition of Golgi alpha-mannosidase II by mannostatin A.
Chembiochem, 10, 2009
3DQ3
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BU of 3dq3 by Molmil
Structure of the Yellow Fluorescent Protein Citrine Frozen at 2500 Atmospheres: Structure 22 in a Series of 26 High Pressure Structures
分子名称: Green fluorescent protein
著者Barstow, B, Kim, C.U.
登録日2008-07-09
公開日2008-09-23
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Alteration of citrine structure by hydrostatic pressure explains the accompanying spectral shift.
Proc.Natl.Acad.Sci.Usa, 105, 2008
3DQD
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BU of 3dqd by Molmil
Structure of the Yellow Fluorescent Protein Citrine Frozen at 1250 Atmospheres Number 2: Structure 12 in a Series of 26 High Pressure Structures
分子名称: Green fluorescent protein
著者Barstow, B, Kim, C.U.
登録日2008-07-09
公開日2008-09-23
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (1.4 Å)
主引用文献Alteration of citrine structure by hydrostatic pressure explains the accompanying spectral shift.
Proc.Natl.Acad.Sci.Usa, 105, 2008
3DVK
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BU of 3dvk by Molmil
Crystal Structure of Ca2+/CaM-CaV2.3 IQ domain complex
分子名称: CALCIUM ION, Calmodulin, Voltage-dependent R-type calcium channel subunit alpha-1E
著者Kim, E.Y, Rumpf, C.H, Fujiwara, Y, Cooley, E.S, Van Petegem, F, Minor, D.L.
登録日2008-07-18
公開日2008-11-04
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Structures of Ca(V)2 Ca(2+)/CaM-IQ Domain Complexes Reveal Binding Modes that Underlie Calcium-Dependent Inactivation and Facilitation.
Structure, 16, 2008
4R95
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BU of 4r95 by Molmil
BACE-1 in complex with 2-(((1R,3S)-3-(((R)-4-(2-cyclohexylethyl)-2-iminio-1-methyl-5-oxoimidazolidin-4-yl)methyl)cyclohexyl)amino)quinolin-1-ium
分子名称: (2E,5R)-5-(2-cyclohexylethyl)-2-imino-3-methyl-5-{[(1S,3R)-3-(quinolin-2-ylamino)cyclohexyl]methyl}imidazolidin-4-one, Beta-secretase 1, L(+)-TARTARIC ACID
著者Orth, P, Strickland, C, Caldwell, J.P.
登録日2014-09-03
公開日2014-11-05
最終更新日2014-12-17
実験手法X-RAY DIFFRACTION (1.99 Å)
主引用文献Discovery of potent iminoheterocycle BACE1 inhibitors.
Bioorg.Med.Chem.Lett., 24, 2014
3DWY
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BU of 3dwy by Molmil
Crystal Structure of the Bromodomain of Human CREBBP
分子名称: 1,2-ETHANEDIOL, CREB-binding protein
著者Filippakopoulos, P, Picaud, S, Fedorov, O, Karim, R, Pike, A.C.W, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Wickstroem, M, Bountra, C, Knapp, S, Structural Genomics Consortium (SGC)
登録日2008-07-23
公開日2008-08-05
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (1.98 Å)
主引用文献Histone recognition and large-scale structural analysis of the human bromodomain family.
Cell(Cambridge,Mass.), 149, 2012
3DVQ
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BU of 3dvq by Molmil
Proteinase K by LB nanotemplate method before high X-Ray dose on ESRF ID14-2 beamline
分子名称: CALCIUM ION, Proteinase K
著者Pechkova, E, Tripathi, S.K, Nicolini, C.
登録日2008-07-20
公開日2009-07-07
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (1.02 Å)
主引用文献Radiation damage in protein structural characterization by Synchrotron Radiation: State of the art and Nanotechnology-based perspective
To be Published
3DW1
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BU of 3dw1 by Molmil
Proteinase K by LB nanotemplate method after the third step high X-Ray dose on ESRF ID14-2 beamline
分子名称: CALCIUM ION, Proteinase K
著者Pechkova, E, Tripathi, S.K, Nicolini, C.
登録日2008-07-21
公開日2009-07-07
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (1.03 Å)
主引用文献Radiation damage in protein structural characterization by Synchrotron Radiation: State of the art and Nanotechnology-based perspective
To be Published
3E19
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BU of 3e19 by Molmil
Crystal Structure of Iron Uptake Regulatory Protein (FeoA) Solved by Sulfur SAD in a Monoclinic Space Group
分子名称: FeoA, GLYCEROL, PHOSPHATE ION
著者Hughes, R.C, Li, Y, Wang, B.-C, Liu, Z.-J, Ng, J.D.
登録日2008-08-02
公開日2008-12-16
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Crystallographic Structure Determination of Iron Uptake Regulatory Protein (FeoA) by Sulfur SAD in a Monoclinic Space Group
To be Published
4R0B
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BU of 4r0b by Molmil
Structure of dimeric human glycodelin
分子名称: Glycodelin
著者Schiefner, A, Skerra, A.
登録日2014-07-30
公開日2014-12-10
最終更新日2017-11-22
実験手法X-RAY DIFFRACTION (2.45 Å)
主引用文献The dimeric crystal structure of the human fertility lipocalin glycodelin reveals a protein scaffold for the presentation of complex glycans.
Biochem.J., 466, 2015
3DV6
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BU of 3dv6 by Molmil
Crystal structure of SAG506-01, tetragonal, crystal 2
分子名称: 3-deoxy-alpha-D-manno-oct-2-ulopyranosonic acid, Ig-like protein, MAGNESIUM ION, ...
著者Brooks, C.L, Blackler, R.J, Gerstenbruch, S, Kosma, P, Muller-Loennies, S, Brade, H, Evans, S.V.
登録日2008-07-18
公開日2008-12-02
最終更新日2020-07-29
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献Pseudo-symmetry and twinning in crystals of homologous antibody Fv fragments.
Acta Crystallogr.,Sect.D, 64, 2008
3DYI
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BU of 3dyi by Molmil
Snapshots of esterase D from lactobacillus rhamnosus: Insights into a rotation driven catalytic mechanism
分子名称: CHLORIDE ION, Esterase D
著者Bennett, M.D, Delabre, M.-L, Holland, R, Norris, G.E.
登録日2008-07-28
公開日2009-07-28
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (1.72 Å)
主引用文献Snapshots of esterase D from lactobacillus rhamnosus: Insights into a rotation driven catalytic mechanism
To be Published
3DZO
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BU of 3dzo by Molmil
Crystal structure of a rhoptry kinase from toxoplasma gondii
分子名称: MAGNESIUM ION, Rhoptry kinase domain
著者Wernimont, A.K, Lam, A, Ali, A, Lin, Y.H, Ni, S, Ravichandran, M, Wasney, G, Vedadi, M, Kozieradzki, I, Schapira, M, Bochkarev, A, Wilkstrom, M, Bountra, C, Arrowsmith, C.H, Edwards, A.M, Sibley, D, Hui, R, Qiu, W, Structural Genomics Consortium (SGC)
登録日2008-07-30
公開日2008-09-16
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Novel structural and regulatory features of rhoptry secretory kinases in Toxoplasma gondii.
Embo J., 28, 2009
3DX7
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BU of 3dx7 by Molmil
Crystal Structure of HLA-B*4403 presenting 10mer EBV antigen
分子名称: ACETATE ION, Beta-2-microglobulin, EBV decapeptide epitope, ...
著者Archbold, J.K, Ely, L.K, Rossjohn, J.
登録日2008-07-23
公開日2009-01-27
最終更新日2021-10-20
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Natural micropolymorphism in human leukocyte antigens provides a basis for genetic control of antigen recognition.
J.Exp.Med., 206, 2009
4R3H
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BU of 4r3h by Molmil
The crystal structure of an apo RNA binding protein
分子名称: SULFATE ION, UNKNOWN ATOM OR ION, YTH domain-containing protein 1
著者Xu, C, Liu, K, Tempel, W, Li, Y, Bountra, C, Arrowsmith, C.H, Edwards, A.M, Min, J, Structural Genomics Consortium (SGC)
登録日2014-08-15
公開日2014-09-17
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Structural basis for selective binding of m(6)A RNA by the YTHDC1 YTH domain.
Nat.Chem.Biol., 10, 2014
3DXN
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BU of 3dxn by Molmil
Crystal structure of the calcium-dependent kinase from toxoplasma gondii, 541.m00134, kinase domain.
分子名称: Calmodulin-like domain protein kinase isoform 3
著者Wernimont, A.K, Lew, J, Kozieradzki, I, Cossar, D, Wasney, G, Lin, Y.H, Hassani, A, Ali, A, Schapira, M, Bochkarev, A, Arrowsmith, C.H, Bountra, C, Wikstrom, M, Edwards, A.M, Hui, R, Artz, J.D, Amani, M, Structural Genomics Consortium (SGC)
登録日2008-07-24
公開日2008-09-16
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (2.17 Å)
主引用文献Crystal structure of the calcium-dependent kinase from toxoplasma gondii, 541.m00134, kinase domain.
To be Published
3E1W
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BU of 3e1w by Molmil
H. influenzae beta-carbonic anhydrase, variant D44N in 100 mM sodium bicarbonate
分子名称: Carbonic anhydrase 2, ZINC ION
著者Rowlett, R.S.
登録日2008-08-04
公開日2009-06-02
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Allosteric site variants of Haemophilus influenzae beta-carbonic anhydrase.
Biochemistry, 48, 2009

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