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7LX7
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BU of 7lx7 by Molmil
T4 lysozyme mutant L99A
Descriptor: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 4-(2-phenylethoxy)phenol, Lysozyme
Authors:Kamenik, A.S, Singh, I, Lak, P, Balius, T.E, Liedl, K.R, Shoichet, B.K.
Deposit date:2021-03-03
Release date:2021-05-19
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.05 Å)
Cite:Energy penalties enhance flexible receptor docking in a model cavity.
Proc.Natl.Acad.Sci.USA, 118, 2021
7LOC
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BU of 7loc by Molmil
T4 lysozyme mutant L99A in complex with 1-bromanyl-4-fluoranyl-benzene
Descriptor: 1-bromanyl-4-fluoranyl-benzene, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, BETA-MERCAPTOETHANOL, ...
Authors:Kamenik, A.S, Singh, I, Lak, P, Balius, T.E, Liedl, K.R, Shoichet, B.K.
Deposit date:2021-02-09
Release date:2021-05-19
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.16 Å)
Cite:Energy penalties enhance flexible receptor docking in a model cavity.
Proc.Natl.Acad.Sci.USA, 118, 2021
7LOB
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BU of 7lob by Molmil
T4 lysozyme mutant L99A in complex with 1-fluoro-2-[(prop-2-en-1-yl)oxy]benzene
Descriptor: 1-fluoro-2-[(prop-2-en-1-yl)oxy]benzene, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, BETA-MERCAPTOETHANOL, ...
Authors:Kamenik, A.S, Singh, I, Lak, P, Balius, T.E, Liedl, K.R, Shoichet, B.K.
Deposit date:2021-02-09
Release date:2021-05-19
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.1 Å)
Cite:Energy penalties enhance flexible receptor docking in a model cavity.
Proc.Natl.Acad.Sci.USA, 118, 2021
7LOE
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BU of 7loe by Molmil
T4 lysozyme mutant L99A in complex with 1-fluoranylnaphthalene
Descriptor: 1-fluoranylnaphthalene, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, BETA-MERCAPTOETHANOL, ...
Authors:Kamenik, A.S, Singh, I, Lak, P, Balius, T.E, Liedl, K.R, Shoichet, B.K.
Deposit date:2021-02-10
Release date:2021-05-19
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.01 Å)
Cite:Energy penalties enhance flexible receptor docking in a model cavity.
Proc.Natl.Acad.Sci.USA, 118, 2021
7LOJ
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BU of 7loj by Molmil
T4 lysozyme mutant L99A in complex with 4-(3-phenylpropyl)aniline
Descriptor: 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, 4-(3-phenylpropyl)aniline, Lysozyme
Authors:Kamenik, A.S, Singh, I, Lak, P, Balius, T.E, Liedl, K.R, Shoichet, B.K.
Deposit date:2021-02-10
Release date:2021-05-19
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Energy penalties enhance flexible receptor docking in a model cavity.
Proc.Natl.Acad.Sci.USA, 118, 2021
7LOA
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BU of 7loa by Molmil
T4 lysozyme mutant L99A in complex with 3-fluoroiodobenzene
Descriptor: 1-fluoranyl-3-iodanyl-benzene, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, BETA-MERCAPTOETHANOL, ...
Authors:Kamenik, A.S, Singh, I, Lak, P, Balius, T.E, Liedl, K.R, Shoichet, B.K.
Deposit date:2021-02-09
Release date:2021-05-19
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.07 Å)
Cite:Energy penalties enhance flexible receptor docking in a model cavity.
Proc.Natl.Acad.Sci.USA, 118, 2021
7LOF
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BU of 7lof by Molmil
T4 lysozyme mutant L99A in complex with 2-butylthiophene
Descriptor: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 2-butylthiophene, BETA-MERCAPTOETHANOL, ...
Authors:Kamenik, A.S, Singh, I, Lak, P, Balius, T.E, Liedl, K.R, Shoichet, B.K.
Deposit date:2021-02-10
Release date:2021-05-19
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.05 Å)
Cite:Energy penalties enhance flexible receptor docking in a model cavity.
Proc.Natl.Acad.Sci.USA, 118, 2021
7LX9
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BU of 7lx9 by Molmil
T4 lysozyme mutant L99A
Descriptor: (but-3-en-1-yl)benzene, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Lysozyme
Authors:Kamenik, A.S, Singh, I, Lak, P, Balius, T.E, Liedl, K.R, Shoichet, B.K.
Deposit date:2021-03-03
Release date:2021-05-19
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.19 Å)
Cite:Energy penalties enhance flexible receptor docking in a model cavity.
Proc.Natl.Acad.Sci.USA, 118, 2021
7LOD
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BU of 7lod by Molmil
T4 lysozyme mutant L99A in complex with 1-fluoranyl-4-iodanyl-benzene
Descriptor: 1-fluoranyl-4-iodanyl-benzene, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, BETA-MERCAPTOETHANOL, ...
Authors:Kamenik, A.S, Singh, I, Lak, P, Balius, T.E, Liedl, K.R, Shoichet, B.K.
Deposit date:2021-02-10
Release date:2021-05-19
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.02 Å)
Cite:Energy penalties enhance flexible receptor docking in a model cavity.
Proc.Natl.Acad.Sci.USA, 118, 2021
7LRC
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BU of 7lrc by Molmil
Cryo-EM of the SLFN12-PDE3A complex: PDE3A body refinement
Descriptor: (4~{R})-3-[4-(diethylamino)-3-[oxidanyl(oxidanylidene)-$l^{4}-azanyl]phenyl]-4-methyl-4,5-dihydro-1~{H}-pyridazin-6-one, MAGNESIUM ION, MANGANESE (II) ION, ...
Authors:Fuller, J.R, Garvie, C.W, Lemke, C.T.
Deposit date:2021-02-16
Release date:2021-06-09
Last modified:2024-03-06
Method:ELECTRON MICROSCOPY (2.97 Å)
Cite:Structure of PDE3A-SLFN12 complex reveals requirements for activation of SLFN12 RNase.
Nat Commun, 12, 2021
7LXD
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BU of 7lxd by Molmil
Structure of yeast DNA Polymerase Zeta (apo)
Descriptor: DNA polymerase delta small subunit, DNA polymerase delta subunit 3, DNA polymerase zeta catalytic subunit, ...
Authors:Truong, C.D, Craig, T.A, Cui, G, Botuyan, M.V, Serkasevich, R.A, Chan, K.-Y, Mer, G, Chiu, P.-L, Kumar, R.
Deposit date:2021-03-03
Release date:2021-06-30
Last modified:2024-03-06
Method:ELECTRON MICROSCOPY (4.11 Å)
Cite:Cryo-EM reveals conformational flexibility in apo DNA polymerase zeta.
J.Biol.Chem., 297, 2021
3WFN
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BU of 3wfn by Molmil
Crystal Structure of Nav1.6 IQ motif in complex with apo-CaM
Descriptor: Calmodulin, Sodium channel protein type 8 subunit alpha
Authors:Chichili, V.P.R, Sivaraman, J.
Deposit date:2013-07-23
Release date:2013-08-28
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Structural Basis for the Modulation of the Neuronal Voltage-Gated Sodium Channel NaV1.6 by Calmodulin
Sci Rep, 3, 2013
2VJ0
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BU of 2vj0 by Molmil
Crystal structure of the alpha-adaptin appendage domain, from the AP2 adaptor complex, in complex with an FXDNF peptide from amphiphysin1 and a WVXF peptide from synaptojanin P170
Descriptor: AMPHIPHYSIN, AP-2 COMPLEX SUBUNIT ALPHA-2, BENZAMIDINE, ...
Authors:Ford, M.G.J, Praefcke, G.J.K, McMahon, H.T.
Deposit date:2007-12-06
Release date:2007-12-25
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Solitary and Repetitive Binding Motifs for the Ap2 Complex {Alpha}-Appendage in Amphiphysin and Other Accessory Proteins.
J.Biol.Chem., 283, 2008
3AER
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BU of 3aer by Molmil
Structure of the light-independent protochlorophyllide reductase catalyzing a key reduction for greening in the dark
Descriptor: IRON/SULFUR CLUSTER, Light-independent protochlorophyllide reductase subunit B, Light-independent protochlorophyllide reductase subunit N
Authors:Muraki, N, Nomata, J, Shiba, T, Fujita, Y, Kurisu, G.
Deposit date:2010-02-10
Release date:2010-04-21
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:X-ray crystal structure of the light-independent protochlorophyllide reductase
Nature, 465, 2010
4Q6P
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BU of 4q6p by Molmil
Structural analysis of the Zn-form I of Helicobacter pylori Csd4, a D,L-carboxypeptidase
Descriptor: 2,6-DIAMINOPIMELIC ACID, CALCIUM ION, Conserved hypothetical secreted protein, ...
Authors:Kim, H.S, Kim, J, Im, H.N, An, D.R, Lee, M, Hesek, D, Mobashery, S, Kim, J.Y, Cho, K, Yoon, H.J, Han, B.W, Lee, B.I, Suh, S.W.
Deposit date:2014-04-23
Release date:2014-11-05
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (2.62 Å)
Cite:Structural basis for the recognition of muramyltripeptide by Helicobacter pylori Csd4, a D,L-carboxypeptidase controlling the helical cell shape
Acta Crystallogr.,Sect.D, 70, 2014
1NZB
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BU of 1nzb by Molmil
Crystal structure of wild type Cre recombinase-loxP synapse
Descriptor: Cre recombinase, IODIDE ION, MAGNESIUM ION, ...
Authors:Ennifar, E, Meyer, J.E.W, Buchholz, F, Stewart, A.F, Suck, D.
Deposit date:2003-02-17
Release date:2003-09-16
Last modified:2023-08-16
Method:X-RAY DIFFRACTION (3.1 Å)
Cite:Crystal structure of a wild-type Cre recombinase-loxP synapse reveals a novel spacer conformation suggesting an alternative mechanism for DNA cleavage activation
Nucleic Acids Res., 31, 2003
3C8N
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BU of 3c8n by Molmil
Crystal structure of apo-FGD1 from Mycobacterium tuberculosis
Descriptor: Probable F420-dependent glucose-6-phosphate dehydrogenase FGD1
Authors:Bashiri, G, Squire, C.J, Moreland, N.J, Baker, E.N.
Deposit date:2008-02-12
Release date:2008-04-22
Last modified:2021-10-20
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Crystal structures of F420-dependent glucose-6-phosphate dehydrogenase FGD1 involved in the activation of the anti-tuberculosis drug candidate PA-824 reveal the basis of coenzyme and substrate binding.
J.Biol.Chem., 283, 2008
3AEK
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BU of 3aek by Molmil
Structure of the light-independent protochlorophyllide reductase catalyzing a key reduction for greening in the dark
Descriptor: IRON/SULFUR CLUSTER, Light-independent protochlorophyllide reductase subunit B, Light-independent protochlorophyllide reductase subunit N, ...
Authors:Muraki, N, Nomata, J, Shiba, T, Fujita, Y, Kurisu, G.
Deposit date:2010-02-10
Release date:2010-04-21
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:X-ray crystal structure of the light-independent protochlorophyllide reductase
Nature, 465, 2010
3AEU
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BU of 3aeu by Molmil
Structure of the light-independent protochlorophyllide reductase catalyzing a key reduction for greening in the dark
Descriptor: IRON/SULFUR CLUSTER, Light-independent protochlorophyllide reductase subunit B, Light-independent protochlorophyllide reductase subunit N
Authors:Muraki, N, Nomata, J, Shiba, T, Fujita, Y, Kurisu, G.
Deposit date:2010-02-10
Release date:2010-04-21
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:X-ray crystal structure of the light-independent protochlorophyllide reductase
Nature, 465, 2010
3AET
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BU of 3aet by Molmil
Structure of the light-independent protochlorophyllide reductase catalyzing a key reduction for greening in the dark
Descriptor: IRON/SULFUR CLUSTER, Light-independent protochlorophyllide reductase subunit B, Light-independent protochlorophyllide reductase subunit N
Authors:Muraki, N, Nomata, J, Shiba, T, Fujita, Y, Kurisu, G.
Deposit date:2010-02-10
Release date:2010-04-21
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (2.91 Å)
Cite:X-ray crystal structure of the light-independent protochlorophyllide reductase
Nature, 465, 2010
3AFE
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BU of 3afe by Molmil
Crystal structure of the HsaA monooxygenase from M.tuberculosis
Descriptor: Hydroxylase, putative
Authors:D'Angelo, I, Lin, L.Y, Dresen, C, Tocheva, E.I, Eltis, L.D, Strynadka, N.
Deposit date:2010-02-28
Release date:2010-05-26
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:A flavin-dependent monooxygenase from Mycobacterium tuberculosis involved in cholesterol catabolism
J.Biol.Chem., 285, 2010
2XCM
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BU of 2xcm by Molmil
COMPLEX OF HSP90 N-TERMINAL, SGT1 CS AND RAR1 CHORD2 DOMAIN
Descriptor: ADENOSINE-5'-DIPHOSPHATE, CYTOSOLIC HEAT SHOCK PROTEIN 90, MAGNESIUM ION, ...
Authors:Zhang, M, Pearl, L.H.
Deposit date:2010-04-23
Release date:2010-08-11
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Structural Basis for Assembly of Hsp90-Sgt1-Chord Protein Complexes: Implications for Chaperoning of Nlr Innate Immunity Receptors
Mol.Cell, 39, 2010
2XHC
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BU of 2xhc by Molmil
Crystal Structure of Thermotoga maritima N-utilization Substance G (NusG)
Descriptor: TRANSCRIPTION ANTITERMINATION PROTEIN NUSG
Authors:Stegmann, C.M, Wahl, M.C.
Deposit date:2010-06-14
Release date:2011-06-29
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (2.45 Å)
Cite:An Autoinhibited State in the Structure of Thermotoga Maritima Nusg.
Structure, 21, 2013
3CDX
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BU of 3cdx by Molmil
Crystal structure of succinylglutamatedesuccinylase/aspartoacylase from Rhodobacter sphaeroides
Descriptor: CALCIUM ION, Succinylglutamatedesuccinylase/aspartoacylase
Authors:Bonanno, J.B, Rutter, M, Bain, K.T, Iizuka, M, Patterson, K, Smith, D, Wasserman, S, Sauder, J.M, Burley, S.K, Almo, S.C, New York SGX Research Center for Structural Genomics (NYSGXRC)
Deposit date:2008-02-27
Release date:2008-03-11
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Crystal structure of succinylglutamatedesuccinylase/aspartoacylase from Rhodobacter sphaeroides.
To be Published
3CXZ
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BU of 3cxz by Molmil
Crystal structure of cytochrome P450 CYP121 R386L mutant from M. tuberculosis
Descriptor: Cytochrome P450 121, PROTOPORPHYRIN IX CONTAINING FE, SULFATE ION
Authors:Leys, D.
Deposit date:2008-04-25
Release date:2008-09-23
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (1.08 Å)
Cite:Characterization of active site structure of cytochrome P450 CYP121
TO BE PUBLISHED

222415

數據於2024-07-10公開中

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