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PDB: 1209 results

8FF0
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BU of 8ff0 by Molmil
Structure of BTK kinase domain with the second-generation inhibitor tirabrutinib
Descriptor: 6-azanyl-9-[(3~{R})-1-[(~{E})-but-2-enoyl]pyrrolidin-3-yl]-7-(4-phenoxyphenyl)purin-8-one, Tyrosine-protein kinase BTK
Authors:Lin, D.Y, Andreotti, A.H.
Deposit date:2022-12-07
Release date:2023-07-05
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Structure of BTK kinase domain with the second-generation inhibitors acalabrutinib and tirabrutinib.
Plos One, 18, 2023
8GB1
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BU of 8gb1 by Molmil
Crystal structure of SAMHD1 dimer bound to deoxyguanosine linked inhibitor
Descriptor: 5'-O-[(R)-(3-{[(1M)-3'-bromo[1,1'-biphenyl]-3-carbonyl]amino}propoxy)(hydroxy)phosphoryl]-2'-deoxyguanosine, Deoxynucleoside triphosphate triphosphohydrolase SAMHD1, FE (III) ION
Authors:Egleston, M, Dong, L, Howlader, A.H, Bhat, S, Orris, B, Bianchet, M.A, Greenberg, M.M, Stivers, J.T.
Deposit date:2023-02-24
Release date:2023-06-07
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (2.46 Å)
Cite:Deoxyguanosine-Linked Bifunctional Inhibitor of SAMHD1 dNTPase Activity and Nucleic Acid Binding.
Acs Chem.Biol., 18, 2023
8GB2
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BU of 8gb2 by Molmil
Crystal structure of Apo-SAMHD1
Descriptor: Deoxynucleoside triphosphate triphosphohydrolase SAMHD1, FE (III) ION
Authors:Egleston, M, Dong, L, Howlader, A.H, Bhat, S, Orris, B, Bianchet, M.A, Greenberg, M.M, Stivers, J.T.
Deposit date:2023-02-24
Release date:2023-06-07
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (3.07 Å)
Cite:Deoxyguanosine-Linked Bifunctional Inhibitor of SAMHD1 dNTPase Activity and Nucleic Acid Binding.
Acs Chem.Biol., 18, 2023
8G7F
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BU of 8g7f by Molmil
Crystal Structure of FosB from Bacillus cereus with Zinc and 1-hydroxypropylphosphonic acid
Descriptor: FORMIC ACID, GLYCEROL, MAGNESIUM ION, ...
Authors:Travis, S, Pang, A.H, Tsodikov, O.V, Garneau-Tsodikova, S, Thompson, M.K.
Deposit date:2023-02-16
Release date:2023-06-14
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (2.04 Å)
Cite:Identification and analysis of small molecule inhibitors of FosB from Staphylococcus aureus.
Rsc Med Chem, 14, 2023
8G7G
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BU of 8g7g by Molmil
Crystal Structure of FosB from Bacillus cereus with Zinc and (1-hydroxy-2-methylpropyl)phosphonic acid
Descriptor: FORMIC ACID, MAGNESIUM ION, Metallothiol transferase FosB, ...
Authors:Travis, S, Pang, A.H, Tsodikov, O.V, Garneau-Tsodikova, S, Thompson, M.K.
Deposit date:2023-02-16
Release date:2023-06-14
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (2.23 Å)
Cite:Identification and analysis of small molecule inhibitors of FosB from Staphylococcus aureus.
Rsc Med Chem, 14, 2023
8G7H
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BU of 8g7h by Molmil
Crystal Structure of FosB from Bacillus cereus with Zinc and (1-hydroxypropan-2-yl)phosphonic acid
Descriptor: FORMIC ACID, GLYCEROL, MAGNESIUM ION, ...
Authors:Travis, S, Pang, A.H, Tsodikov, O.V, Garneau-Tsodikova, S, Thompson, M.K.
Deposit date:2023-02-16
Release date:2023-06-14
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (1.81 Å)
Cite:Identification and analysis of small molecule inhibitors of FosB from Staphylococcus aureus.
Rsc Med Chem, 14, 2023
8G7I
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BU of 8g7i by Molmil
Crystal Structure of FosB from Bacillus cereus with Zinc and Sulfate
Descriptor: FORMIC ACID, GLYCEROL, MAGNESIUM ION, ...
Authors:Travis, S, Pang, A.H, Tsodikov, O.V, Garneau-Tsodikova, S, Thompson, M.K.
Deposit date:2023-02-16
Release date:2023-06-14
Last modified:2024-05-22
Method:X-RAY DIFFRACTION (1.83 Å)
Cite:Identification and analysis of small molecule inhibitors of FosB from Staphylococcus aureus.
Rsc Med Chem, 14, 2023
3KP2
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BU of 3kp2 by Molmil
Staphylococcus epidermidis TcaR in complex with penicillin G
Descriptor: CACODYLATE ION, PENICILLIN G, Transcriptional regulator TcaR
Authors:Chang, Y.M, Chen, C.K, Wang, A.H.
Deposit date:2009-11-15
Release date:2010-06-09
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (2.55 Å)
Cite:Structural study of TcaR and its complexes with multiple antibiotics from Staphylococcus epidermidis.
Proc.Natl.Acad.Sci.USA, 107, 2010
3KP7
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BU of 3kp7 by Molmil
Staphylococcus epidermidis TcaR (apo form)
Descriptor: Transcriptional regulator TcaR
Authors:Chang, Y.M, Chen, C.K, Yeh, Y.J, Ko, T.P, Wang, A.H.
Deposit date:2009-11-15
Release date:2010-06-09
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Structural study of TcaR and its complexes with multiple antibiotics from Staphylococcus epidermidis.
Proc.Natl.Acad.Sci.USA, 107, 2010
2OFK
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BU of 2ofk by Molmil
Crystal Structure of 3-methyladenine DNA glycosylase I (TAG)
Descriptor: 3-methyladenine DNA glycosylase I, constitutive, TRIETHYLENE GLYCOL, ...
Authors:Metz, A.H, Hollis, T, Eichman, B.F.
Deposit date:2007-01-03
Release date:2007-05-15
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:DNA damage recognition and repair by 3-methyladenine DNA glycosylase I (TAG).
Embo J., 26, 2007
2O5M
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BU of 2o5m by Molmil
Manganese horse heart myoglobin, azide modified
Descriptor: AZIDE ION, Myoglobin, PROTOPORPHYRIN IX CONTAINING MN, ...
Authors:Richter-Addo, G.B, Zahran, Z.N, Chooback, L, Copeland, D.M, West, A.H.
Deposit date:2006-12-06
Release date:2007-10-16
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (1.65 Å)
Cite:Crystal structures of manganese- and cobalt-substituted myoglobin in complex with NO and nitrite reveal unusual ligand conformations.
J.Inorg.Biochem., 102, 2008
2OK9
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BU of 2ok9 by Molmil
PrTX-I-BPB
Descriptor: ISOPROPYL ALCOHOL, Phospholipase A2 homolog 1, p-Bromophenacyl bromide
Authors:Marchi-Salvador, D.P, Fernandes, C.A.H, Soares, A.M, Fontes, M.R.
Deposit date:2007-01-16
Release date:2008-09-23
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2.34 Å)
Cite:Crystal structure of a phospholipase A(2) homolog complexed with p-bromophenacyl bromide reveals important structural changes associated with the inhibition of myotoxic activity.
Biochim.Biophys.Acta, 1794, 2009
3KP4
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BU of 3kp4 by Molmil
Staphylococcus epidermidis TcaR in complex with methicillin
Descriptor: Transcriptional regulator TcaR, methicillin
Authors:Chang, Y.M, Chen, C.K, Wang, A.H.
Deposit date:2009-11-15
Release date:2010-06-09
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (2.84 Å)
Cite:Structural study of TcaR and its complexes with multiple antibiotics from Staphylococcus epidermidis.
Proc.Natl.Acad.Sci.USA, 107, 2010
3KRF
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BU of 3krf by Molmil
Mint heterotetrameric geranyl pyrophosphate synthase in complex with magnesium, IPP, and DMASPP (I)
Descriptor: 1,2-ETHANEDIOL, 3-METHYLBUT-3-ENYL TRIHYDROGEN DIPHOSPHATE, DIMETHYLALLYL S-THIOLODIPHOSPHATE, ...
Authors:Chang, T.-H, Hsieh, F.-L, Ko, T.-P, Wang, A.H.-J.
Deposit date:2009-11-18
Release date:2010-02-23
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Structure of a heterotetrameric geranyl pyrophosphate synthase from mint (Mentha piperita) reveals intersubunit regulation
Plant Cell, 22, 2010
2NSS
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BU of 2nss by Molmil
Nitrobenzene Modified Horse Heart Myoglobin
Descriptor: Myoglobin, NITROSOBENZENE, PROTOPORPHYRIN IX CONTAINING FE, ...
Authors:Copeland, D.M, West, A.H, Richter-Addo, G.B.
Deposit date:2006-11-06
Release date:2007-11-06
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2 Å)
Cite:Nitrosoalkane and Nitrosoarene Binding to Myoglobin and Heme Models
To be Published
2NS3
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BU of 2ns3 by Molmil
Solution structure of ribbon BuIA
Descriptor: Alpha-conotoxin BuIA
Authors:Jin, A.H, Brandstaetter, H, Nevin, S.T, Tan, C.C, Clark, R.J, Adams, D.J, Alewood, P.F, Craik, D.J, Daly, N.L.
Deposit date:2006-11-03
Release date:2007-09-25
Last modified:2023-12-27
Method:SOLUTION NMR
Cite:Structure of alpha-conotoxin BuIA: influences of disulfide connectivity on structural dynamics
Bmc Struct.Biol., 7, 2007
3KP5
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BU of 3kp5 by Molmil
Staphylococcus epidermidis TcaR in complex with kanamycin
Descriptor: KANAMYCIN A, Transcriptional regulator TcaR
Authors:Chang, Y.M, Chen, C.K, Wang, A.H.
Deposit date:2009-11-15
Release date:2010-06-09
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (3 Å)
Cite:Structural study of TcaR and its complexes with multiple antibiotics from Staphylococcus epidermidis.
Proc.Natl.Acad.Sci.USA, 107, 2010
3KRC
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BU of 3krc by Molmil
Mint heterotetrameric geranyl pyrophosphate synthase in complex with IPP
Descriptor: 1,2-ETHANEDIOL, 3-METHYLBUT-3-ENYL TRIHYDROGEN DIPHOSPHATE, Geranyl diphosphate synthase large subunit, ...
Authors:Chang, T.-H, Hsieh, F.-L, Ko, T.-P, Wang, A.H.-J.
Deposit date:2009-11-18
Release date:2010-02-23
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Structure of a heterotetrameric geranyl pyrophosphate synthase from mint (Mentha piperita) reveals intersubunit regulation
Plant Cell, 22, 2010
3KRP
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BU of 3krp by Molmil
Mint heterotetrameric geranyl pyrophosphate synthase in complex with magnesium and GPP
Descriptor: 1,2-ETHANEDIOL, GERANYL DIPHOSPHATE, Geranyl diphosphate synthase large subunit, ...
Authors:Chang, T.-H, Hsieh, F.-L, Ko, T.-P, Wang, A.H.-J.
Deposit date:2009-11-19
Release date:2010-02-23
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (2.42 Å)
Cite:Structure of a heterotetrameric geranyl pyrophosphate synthase from mint (Mentha piperita) reveals intersubunit regulation
Plant Cell, 22, 2010
3KP6
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BU of 3kp6 by Molmil
Staphylococcus epidermidis TcaR in complex with salicylate
Descriptor: 2-HYDROXYBENZOIC ACID, CACODYLATE ION, Transcriptional regulator TcaR
Authors:Chang, Y.M, Chen, C.K, Yeh, Y.J, Wang, A.H.
Deposit date:2009-11-15
Release date:2010-09-29
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (2.45 Å)
Cite:Structural study of TcaR and its complexes with multiple antibiotics from Staphylococcus epidermidis.
Proc.Natl.Acad.Sci.USA, 107, 2010
3KRA
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BU of 3kra by Molmil
Mint heterotetrameric geranyl pyrophosphate synthase in complex with magnesium
Descriptor: 1,2-ETHANEDIOL, Geranyl diphosphate synthase large subunit, Geranyl diphosphate synthase small subunit, ...
Authors:Chang, T.-H, Ko, T.-P, Hsieh, F.-L, Wang, A.H.-J.
Deposit date:2009-11-18
Release date:2010-02-23
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Structure of a heterotetrameric geranyl pyrophosphate synthase from mint (Mentha piperita) reveals intersubunit regulation
Plant Cell, 22, 2010
3KRO
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BU of 3kro by Molmil
Mint heterotetrameric geranyl pyrophosphate synthase in complex with magnesium, IPP, and DMASPP (II)
Descriptor: 1,2-ETHANEDIOL, 3-METHYLBUT-3-ENYL TRIHYDROGEN DIPHOSPHATE, DIMETHYLALLYL S-THIOLODIPHOSPHATE, ...
Authors:Chang, T.-H, Hsieh, F.-L, Ko, T.-P, Wang, A.H.-J.
Deposit date:2009-11-19
Release date:2010-02-23
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Structure of a heterotetrameric geranyl pyrophosphate synthase from mint (Mentha piperita) reveals intersubunit regulation
Plant Cell, 22, 2010
3KP3
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BU of 3kp3 by Molmil
Staphylococcus epidermidis in complex with ampicillin
Descriptor: (2S,5R,6R)-6-{[(2R)-2-AMINO-2-PHENYLETHANOYL]AMINO}-3,3-DIMETHYL-7-OXO-4-THIA-1-AZABICYCLO[3.2.0]HEPTANE-2-CARBOXYLIC ACID, Transcriptional regulator TcaR
Authors:Chang, Y.M, Chen, C.K, Wang, A.H.
Deposit date:2009-11-15
Release date:2010-06-09
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (3.2 Å)
Cite:Structural study of TcaR and its complexes with multiple antibiotics from Staphylococcus epidermidis.
Proc.Natl.Acad.Sci.USA, 107, 2010
2Q8A
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BU of 2q8a by Molmil
Structure of the malaria antigen AMA1 in complex with a growth-inhibitory antibody
Descriptor: 1F9 heavy chain, 1F9 light chain, Apical membrane antigen 1
Authors:Gupta, A, Murphy, V.J, Anders, R.F, Batchelor, A.H.
Deposit date:2007-06-10
Release date:2007-10-09
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Structure of the malaria antigen AMA1 in complex with a growth-inhibitory antibody.
PLoS Pathog., 3, 2007
2Q8B
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BU of 2q8b by Molmil
Structure of the malaria antigen AMA1 in complex with a growth-inhibitory antibody
Descriptor: 1F9 heavy chain, 1F9 light chain, Apical membrane antigen 1
Authors:Gupta, A, Murphy, V.J, Anders, R.F, Batchelor, A.H.
Deposit date:2007-06-10
Release date:2007-10-09
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Structure of the Malaria Antigen AMA1 in Complex with a Growth-Inhibitory Antibody
Plos Pathog., 3, 2007

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数据于2024-07-10公开中

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