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4LMQ
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BU of 4lmq by Molmil
Development and Preclinical Characterization of a Humanized Antibody Targeting CXCL12
Descriptor: Stromal cell-derived factor 1, hu30D8 Fab heavy chain, hu30D8 Fab light chain
Authors:Zhong, Z, Wang, J, Li, B, Xiang, H, Ultsch, M, Coons, M, Wong, T, Chiang, N.Y, Clark, S, Clark, R, Quintana, L, Gribling, P, Suto, E, Barck, K, Corpuz, R, Yao, J, Takkar, R, Lee, W.P, Damico-Beyer, L.A, Carano, R.D, Adams, C, Kelley, R.F, Wang, W, Ferrara, N.
Deposit date:2013-07-10
Release date:2013-08-14
Last modified:2021-10-27
Method:X-RAY DIFFRACTION (2.773 Å)
Cite:Development and Preclinical Characterization of a Humanized Antibody Targeting CXCL12.
Clin.Cancer Res., 19, 2013
6O0X
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BU of 6o0x by Molmil
Conformational states of Cas9-sgRNA-DNA ternary complex in the presence of magnesium
Descriptor: 3' product of target strand DNA, 5' product of target strand DNA, CRISPR-associated endonuclease Cas9/Csn1, ...
Authors:Zhu, X, Clarke, R, Puppala, A.K, Chittori, S, Merk, A, Merrill, B.J, Simonovic, M, Subramaniam, S.
Deposit date:2019-02-17
Release date:2019-07-10
Last modified:2024-03-20
Method:ELECTRON MICROSCOPY (3.28 Å)
Cite:Cryo-EM structures reveal coordinated domain motions that govern DNA cleavage by Cas9.
Nat.Struct.Mol.Biol., 26, 2019
6O0Z
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BU of 6o0z by Molmil
Conformational states of Cas9-sgRNA-DNA ternary complex in the presence of magnesium
Descriptor: CRISPR-associated endonuclease Cas9/Csn1, non-target strand DNA, single guide RNA, ...
Authors:Zhu, X, Clarke, R, Puppala, A.K, Chittori, S, Merk, A, Merrill, B.J, Simonovic, M, Subramaniam, S.
Deposit date:2019-02-17
Release date:2019-07-10
Last modified:2024-03-20
Method:ELECTRON MICROSCOPY (3.3 Å)
Cite:Cryo-EM structures reveal coordinated domain motions that govern DNA cleavage by Cas9.
Nat.Struct.Mol.Biol., 26, 2019
6O0Y
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BU of 6o0y by Molmil
Conformational states of Cas9-sgRNA-DNA ternary complex in the presence of magnesium
Descriptor: 3' product of target strand DNA, 5' product of target strand DNA, CRISPR-associated endonuclease Cas9/Csn1, ...
Authors:Zhu, X, Clarke, R, Puppala, A.K, Chittori, S, Merk, A, Merrill, B.J, Simonovic, M, Subramaniam, S.
Deposit date:2019-02-17
Release date:2019-07-10
Last modified:2024-03-20
Method:ELECTRON MICROSCOPY (3.37 Å)
Cite:Cryo-EM structures reveal coordinated domain motions that govern DNA cleavage by Cas9.
Nat.Struct.Mol.Biol., 26, 2019
3QRI
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BU of 3qri by Molmil
The crystal structure of human abl1 kinase domain in complex with DCC-2036
Descriptor: 4-[4-({[3-tert-butyl-1-(quinolin-6-yl)-1H-pyrazol-5-yl]carbamoyl}amino)-3-fluorophenoxy]-N-methylpyridine-2-carboxamide, SODIUM ION, Tyrosine-protein kinase ABL1
Authors:Chan, W.W, Wise, S.C, Kaufman, M.D, Ahn, Y.M, Ensinger, C.L, Haack, T, Hood, M.M, Jones, J, Lord, J.W, Lu, W.P, Miller, D, Patt, W.C, Smith, B.D, Petillo, P.A, Rutkoski, T.J, Telikepalli, H, Vogeti, L, Yao, T, Chun, L, Clark, R, Evangelista, P, Gavrilescu, L.C, Lazarides, K, Zaleskas, V.M, Stewart, L.J, Van Etten, R.A, Flynn, D.L.
Deposit date:2011-02-18
Release date:2011-06-01
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Conformational Control Inhibition of the BCR-ABL1 Tyrosine Kinase, Including the Gatekeeper T315I Mutant, by the Switch-Control Inhibitor DCC-2036.
Cancer Cell, 19, 2011
3QRJ
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BU of 3qrj by Molmil
The crystal structure of human abl1 kinase domain T315I mutant in complex with DCC-2036
Descriptor: 4-[4-({[3-tert-butyl-1-(quinolin-6-yl)-1H-pyrazol-5-yl]carbamoyl}amino)-3-fluorophenoxy]-N-methylpyridine-2-carboxamide, Tyrosine-protein kinase ABL1
Authors:Chan, W.W, Wise, S.C, Kaufman, M.D, Ahn, Y.M, Ensinger, C.L, Haack, T, Hood, M.M, Jones, J, Lord, J.W, Lu, W.P, Miller, D, Patt, W.C, Smith, B.D, Petillo, P.A, Rutkoski, T.J, Telikepalli, H, Vogeti, L, Yao, T, Chun, L, Clark, R, Evangelista, P, Gavrilescu, L.C, Lazarides, K, Zaleskas, V.M, Stewart, L.J, Van Etten, R.A, Flynn, D.L.
Deposit date:2011-02-18
Release date:2011-06-01
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (1.82 Å)
Cite:Conformational Control Inhibition of the BCR-ABL1 Tyrosine Kinase, Including the Gatekeeper T315I Mutant, by the Switch-Control Inhibitor DCC-2036.
Cancer Cell, 19, 2011
3QRK
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BU of 3qrk by Molmil
The crystal structure of human abl1 kinase domain in complex with DP-987
Descriptor: (3S)-6-(3-tert-butyl-5-{[(2,3-dichlorophenyl)carbamoyl]amino}-1H-pyrazol-1-yl)-1,2,3,4-tetrahydroisoquinoline-3-carboxylic acid, Tyrosine-protein kinase ABL1
Authors:Chan, W.W, Wise, S.C, Kaufman, M.D, Ahn, Y.M, Ensinger, C.L, Haack, T, Hood, M.M, Jones, J, Lord, J.W, Lu, W.P, Miller, D, Patt, W.C, Smith, B.D, Petillo, P.A, Rutkoski, T.J, Telikepalli, H, Vogeti, L, Yao, T, Chun, L, Clark, R, Evangelista, P, Gavrilescu, L.C, Lazarides, K, Zaleskas, V.M, Stewart, L.J, Van Etten, R.A, Flynn, D.L.
Deposit date:2011-02-18
Release date:2011-06-01
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Conformational Control Inhibition of the BCR-ABL1 Tyrosine Kinase, Including the Gatekeeper T315I Mutant, by the Switch-Control Inhibitor DCC-2036.
Cancer Cell, 19, 2011
1Q71
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BU of 1q71 by Molmil
The structure of microcin J25 is a threaded sidechain-to-backbone ring structure and not a head-to-tail cyclized backbone
Descriptor: microcin J25
Authors:Rosengren, K.J, Clark, R, Daly, N.L, Goransson, U, Jones, A, Craik, D.J.
Deposit date:2003-08-14
Release date:2003-12-16
Last modified:2012-12-12
Method:SOLUTION NMR
Cite:Microcin J25 has a threaded sidechain-to-backbone ring structure and not a head-to-tail cyclized backbone.
J.Am.Chem.Soc., 125, 2003
7S4G
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BU of 7s4g by Molmil
Fab fragment bound to the Cter peptide of Ly6G6D
Descriptor: 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, GLYCEROL, Lymphocyte antigen 6 complex locus protein G6d, ...
Authors:Rouge, L, Lupardus, P.
Deposit date:2021-09-08
Release date:2022-04-13
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Novel Anti-LY6G6D/CD3 T-Cell-Dependent Bispecific Antibody for the Treatment of Colorectal Cancer.
Mol.Cancer Ther., 21, 2022
1NF1
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BU of 1nf1 by Molmil
THE GAP RELATED DOMAIN OF NEUROFIBROMIN
Descriptor: PROTEIN (NEUROFIBROMIN)
Authors:Scheffzek, K, Ahmadian, M.R, Wiesmueller, L, Kabsch, W, Stege, P, Schmitz, F, Wittinghofer, A.
Deposit date:1998-07-08
Release date:1999-07-20
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Structural analysis of the GAP-related domain from neurofibromin and its implications.
EMBO J., 17, 1998
3NNU
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BU of 3nnu by Molmil
Crystal structure of P38 alpha in complex with DP1376
Descriptor: 2-{3-[(5E)-5-{[(2,3-dichlorophenyl)carbamoyl]imino}-3-thiophen-2-yl-2,5-dihydro-1H-pyrazol-1-yl]phenyl}acetamide, Mitogen-activated protein kinase 14
Authors:Abendroth, J.
Deposit date:2010-06-24
Release date:2010-09-15
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Switch control pocket inhibitors of p38-MAP kinase. Durable type II inhibitors that do not require binding into the canonical ATP hinge region
Bioorg.Med.Chem.Lett., 20, 2010
3NNX
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BU of 3nnx by Molmil
Crystal structure of phosphorylated P38 alpha in complex with DP802
Descriptor: 2-[3-(3-tert-butyl-5-{[(2,3-dichlorophenyl)carbamoyl]imino}-2,5-dihydro-1H-pyrazol-1-yl)phenyl]acetamide, Mitogen-activated protein kinase 14
Authors:Abendroth, J.
Deposit date:2010-06-24
Release date:2010-09-15
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (2.28 Å)
Cite:Switch control pocket inhibitors of p38-MAP kinase. Durable type II inhibitors that do not require binding into the canonical ATP hinge region
Bioorg.Med.Chem.Lett., 20, 2010
3NNW
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BU of 3nnw by Molmil
Crystal structure of P38 alpha in complex with DP802
Descriptor: 2-[3-(3-tert-butyl-5-{[(2,3-dichlorophenyl)carbamoyl]imino}-2,5-dihydro-1H-pyrazol-1-yl)phenyl]acetamide, Mitogen-activated protein kinase 14
Authors:Abendroth, J.
Deposit date:2010-06-24
Release date:2010-09-15
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (1.89 Å)
Cite:Switch control pocket inhibitors of p38-MAP kinase. Durable type II inhibitors that do not require binding into the canonical ATP hinge region
Bioorg.Med.Chem.Lett., 20, 2010
3NNV
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BU of 3nnv by Molmil
Crystal structure of P38 alpha in complex with DP437
Descriptor: 1-{3-tert-butyl-1-[4-(hydroxymethyl)phenyl]-1H-pyrazol-5-yl}-3-naphthalen-1-ylurea, Mitogen-activated protein kinase 14
Authors:Abendroth, J.
Deposit date:2010-06-24
Release date:2010-09-15
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Switch control pocket inhibitors of p38-MAP kinase. Durable type II inhibitors that do not require binding into the canonical ATP hinge region
Bioorg.Med.Chem.Lett., 20, 2010
3P11
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BU of 3p11 by Molmil
anti-EGFR/HER3 Fab DL11 in complex with domains I-III of the HER3 extracellular region
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Fab DL11 heavy chain, ...
Authors:Eigenbrot, C, Shia, S.
Deposit date:2010-09-29
Release date:2011-10-26
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (3.7 Å)
Cite:A two-in-one antibody against HER3 and EGFR has superior inhibitory activity compared with monospecific antibodies.
Cancer Cell, 20, 2011
3P0Y
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BU of 3p0y by Molmil
anti-EGFR/HER3 Fab DL11 in complex with domain III of EGFR extracellular region
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-3)-[beta-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Epidermal growth factor receptor, ...
Authors:Eigenbrot, C, Shia, S.
Deposit date:2010-09-29
Release date:2011-10-26
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:A two-in-one antibody against HER3 and EGFR has superior inhibitory activity compared with monospecific antibodies.
Cancer Cell, 20, 2011
3P0V
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BU of 3p0v by Molmil
anti-EGFR/HER3 Fab DL11 alone
Descriptor: CALCIUM ION, Fab DL11 heavy chain, Fab DL11 light chain
Authors:Eigenbrot, C, Shia, S.
Deposit date:2010-09-29
Release date:2011-10-19
Last modified:2012-03-21
Method:X-RAY DIFFRACTION (2.85 Å)
Cite:A two-in-one antibody against HER3 and EGFR has superior inhibitory activity compared with monospecific antibodies.
Cancer Cell, 20, 2011
3HYR
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BU of 3hyr by Molmil
Structural Insight into G Protein Coupling and Regulation of Fe2+ Membrane Transport
Descriptor: Ferrous iron transport protein B
Authors:Maher, M.J, Jormakka, M.
Deposit date:2009-06-23
Release date:2009-08-25
Last modified:2013-11-13
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Structural basis of GDP release and gating in G protein coupled Fe2+ transport.
Embo J., 28, 2009
3HYT
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BU of 3hyt by Molmil
Structural Basis of GDP Release and Gating in G Protein Coupled Fe2+ Transport
Descriptor: 2-amino-9-(5-O-[(R)-hydroxy{[(R)-hydroxy(phosphonoamino)phosphoryl]oxy}phosphoryl]-3-O-{[2-(methylamino)phenyl]carbonyl}-beta-D-erythro-pentofuranosyl-2-ulose)-1,9-dihydro-6H-purin-6-one, Ferrous iron transport protein B, MAGNESIUM ION
Authors:Maher, M.J, Jormakka, M.
Deposit date:2009-06-23
Release date:2009-08-25
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (2.74 Å)
Cite:Structural basis of GDP release and gating in G protein coupled Fe(2+) transport.
Embo J., 2009
3OUH
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BU of 3ouh by Molmil
PHD2-R127 with JNJ41536014
Descriptor: 1-(5-chloro-6-fluoro-1H-benzimidazol-2-yl)-1H-pyrazole-4-carboxylic acid, Egl nine homolog 1, FE (II) ION, ...
Authors:Kim, H, Clark, R.
Deposit date:2010-09-14
Release date:2010-12-01
Last modified:2018-04-18
Method:X-RAY DIFFRACTION (2.51 Å)
Cite:Benzimidazole-2-pyrazole HIF Prolyl 4-Hydroxylase Inhibitors as Oral Erythropoietin Secretagogues.
ACS Med Chem Lett, 1, 2010

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PDB entries from 2024-03-27

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