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6NE5
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Discovery of Potent Myeloid Cell Leukemia-1 (Mcl-1) Inhibitors that Demonstrate in vivo Activity in Mouse Xenograft Models of Human Cancer
Descriptor: 3-[(4R)-7-chloro-10-[3-(4-chloro-3,5-dimethylphenoxy)propyl]-4-methyl-1-oxo-6-(1,3,5-trimethyl-1H-pyrazol-4-yl)-3,4-dihydropyrazino[1,2-a]indol-2(1H)-yl]-1-methyl-1H-indole-5-carboxylic acid, Induced myeloid leukemia cell differentiation protein Mcl-1
Authors:Zhao, B.
Deposit date:2018-12-17
Release date:2019-04-17
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Discovery of Potent Myeloid Cell Leukemia-1 (Mcl-1) Inhibitors That Demonstrate in Vivo Activity in Mouse Xenograft Models of Human Cancer.
J.Med.Chem., 62, 2019
2MWJ
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BU of 2mwj by Molmil
Solution structure of Family 1 Carbohydrate-Binding Module from Trichoderma reesei Cel7A with O-mannose residues at Thr1 and Ser3
Descriptor: Exoglucanase 1, alpha-D-mannopyranose
Authors:Happs, R.M, Chen, L, Resch, M.G, Davis, M.F, Beckham, G.T, Tan, Z, Crowley, M.F.
Deposit date:2014-11-12
Release date:2015-09-02
Last modified:2024-11-06
Method:SOLUTION NMR
Cite:O-glycosylation effects on family 1 carbohydrate-binding module solution structures.
Febs J., 282, 2015
6D83
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BU of 6d83 by Molmil
Structure of the cargo bound AP-1:Arf1:tetherin-Nef (L164A, L165A) dileucine mutant dimer monomeric subunit
Descriptor: ADP-ribosylation factor 1, AP-1 complex subunit beta-1, AP-1 complex subunit gamma-1, ...
Authors:Buffalo, C.Z, Morris, K.L, Hurley, J.H.
Deposit date:2018-04-25
Release date:2018-08-08
Last modified:2025-06-04
Method:ELECTRON MICROSCOPY (4.27 Å)
Cite:HIV-1 Nefs Are Cargo-Sensitive AP-1 Trimerization Switches in Tetherin Downregulation.
Cell, 174, 2018
6NTU
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BU of 6ntu by Molmil
Crystal Structure of human PARP-1 ART domain bound to inhibitor UKTT-15
Descriptor: DIMETHYL SULFOXIDE, PENTAETHYLENE GLYCOL, Poly [ADP-ribose] polymerase 1, ...
Authors:Langelier, M.F, Pascal, J.M.
Deposit date:2019-01-30
Release date:2020-02-05
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Structural basis for allosteric PARP-1 retention on DNA breaks.
Science, 368, 2020
1TVY
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BU of 1tvy by Molmil
beta-1,4-galactosyltransferase mutant Met344His (M344H-Gal-T1) complex with UDP-galactose and manganese
Descriptor: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, Beta-1,4-galactosyltransferase 1, GALACTOSE-URIDINE-5'-DIPHOSPHATE, ...
Authors:Ramakrishnan, B, Boeggeman, E, Qasba, P.K.
Deposit date:2004-06-30
Release date:2004-12-14
Last modified:2024-11-20
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Effect of the Met344His mutation on the conformational dynamics of bovine beta-1,4-galactosyltransferase: crystal structure of the Met344His mutant in complex with chitobiose
Biochemistry, 43, 2004
9D90
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BU of 9d90 by Molmil
Cryo-EM structure of partially open HIV-1 BG505 SOSIP.664 Env bound to 3-sCD4, 3-17b Fab and 3-VRC34.01 Fab, Population 1
Descriptor: 17b Fab heavy chain, 17b Fab light chain, 2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Thakur, B, Acharya, P.
Deposit date:2024-08-20
Release date:2025-04-30
Last modified:2025-10-01
Method:ELECTRON MICROSCOPY (3.91 Å)
Cite:Conformational trajectory of the HIV-1 fusion peptide during CD4-induced envelope opening.
Nat Commun, 16, 2025
9D8Y
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BU of 9d8y by Molmil
Cryo-EM structure of HIV-1 BG505 SOSIP.664 Env bound to 3-sCD4, 3-VRC34.01 Fab with one gp120 rotated, Population 4
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Envelope glycoprotein gp160, ...
Authors:Thakur, B, Acharya, P.
Deposit date:2024-08-20
Release date:2025-04-30
Last modified:2025-10-01
Method:ELECTRON MICROSCOPY (4.06 Å)
Cite:Conformational trajectory of the HIV-1 fusion peptide during CD4-induced envelope opening.
Nat Commun, 16, 2025
3U4E
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BU of 3u4e by Molmil
Crystal Structure of PG9 Fab in Complex with V1V2 Region from HIV-1 strain CAP45
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, PG9 Heavy Chain, PG9 Light Chain, ...
Authors:Gorman, J, McLellan, J, Pancera, M, Kwong, P.D.
Deposit date:2011-10-07
Release date:2011-11-30
Last modified:2024-10-16
Method:X-RAY DIFFRACTION (2.185 Å)
Cite:Structure of HIV-1 gp120 V1/V2 domain with broadly neutralizing antibody PG9.
Nature, 480, 2011
1U3C
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BU of 1u3c by Molmil
Crystal Structure of the PHR domain of Cryptochrome 1 from Arabidopsis thaliana
Descriptor: CHLORIDE ION, Cryptochrome 1 apoprotein, ETHYL DIMETHYL AMMONIO PROPANE SULFONATE, ...
Authors:Brautigam, C.A, Smith, B.S, Ma, Z, Palnitkar, M, Tomchick, D.R, Machius, M, Deisenhofer, J.
Deposit date:2004-07-21
Release date:2004-08-24
Last modified:2024-11-20
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Structure of the photolyase-like domain of cryptochrome 1 from Arabidopsis thaliana.
Proc.Natl.Acad.Sci.USA, 101, 2004
9D7H
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BU of 9d7h by Molmil
Cryo-EM structure of BG505 DS-SOSIP.664 with 1 CH103 KN Fab bound
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CH103 Fab light chain, ...
Authors:Parsons, R.J, Acharya, P.
Deposit date:2024-08-16
Release date:2025-06-04
Last modified:2025-08-20
Method:ELECTRON MICROSCOPY (3.59 Å)
Cite:Acquisition of quaternary trimer interaction as a key step in the lineage maturation of a broad and potent HIV-1 neutralizing antibody.
Structure, 33, 2025
9D7O
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BU of 9d7o by Molmil
Cryo-EM structure of BG505 DS-SOSIP.664 with 1 CH103 Fab bound
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CH103 Fab heavy chain, ...
Authors:Parsons, R.J, Acharya, P.
Deposit date:2024-08-16
Release date:2025-06-04
Last modified:2025-08-20
Method:ELECTRON MICROSCOPY (3.56 Å)
Cite:Acquisition of quaternary trimer interaction as a key step in the lineage maturation of a broad and potent HIV-1 neutralizing antibody.
Structure, 33, 2025
8HE8
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BU of 8he8 by Molmil
Human ADP-ribosyltransferase 2 (PARP2) catalytic domain bound to a quinazoline-2,4(1H,3H)-dione inhibitor
Descriptor: 1-[[4-fluoranyl-3-(3-oxidanylidene-4-pentan-3-yl-piperazin-1-yl)carbonyl-phenyl]methyl]quinazoline-2,4-dione, GLYCEROL, Poly [ADP-ribose] polymerase 2
Authors:Wang, X.Y, Xu, B.L, Zhou, J.
Deposit date:2022-11-07
Release date:2023-11-08
Method:X-RAY DIFFRACTION (3.05 Å)
Cite:Discovery of Quinazoline-2,4(1 H ,3 H )-dione Derivatives Containing a Piperizinone Moiety as Potent PARP-1/2 Inhibitors─Design, Synthesis, In Vivo Antitumor Activity, and X-ray Crystal Structure Analysis.
J.Med.Chem., 66, 2023
7WPN
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BU of 7wpn by Molmil
Methionyl-tRNA synthetase from Staphylococcus aureus complexed with a phenylbenzimidazole inhibitor and ATP
Descriptor: (phenylmethyl) N-[(2R)-2-[2-(4-bromanyl-3-oxidanyl-phenyl)-5-(methylcarbamoyl)benzimidazol-1-yl]-2-(3,4-dimethoxyphenyl)ethyl]carbamate, 1,2-ETHANEDIOL, ACETIC ACID, ...
Authors:Yi, J, Cai, Z, Qiu, H, Lu, F, Chen, B, Luo, Z, Gu, Q, Xu, J, Zhou, H.
Deposit date:2022-01-24
Release date:2022-04-27
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Fragment screening and structural analyses highlight the ATP-assisted ligand binding for inhibitor discovery against type 1 methionyl-tRNA synthetase.
Nucleic Acids Res., 50, 2022
4EMZ
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BU of 4emz by Molmil
HIV-1 Nef in complex with MHC-I cytoplasmic domain and Mu1 adaptin subunit of AP1 adaptor (second domain)
Descriptor: AP-1 complex subunit mu-1, MHC-I, Protein Nef
Authors:Jia, X, Xiong, Y.
Deposit date:2012-04-12
Release date:2012-06-20
Last modified:2024-11-06
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:Structural basis of evasion of cellular adaptive immunity by HIV-1 Nef.
Nat.Struct.Mol.Biol., 19, 2012
4Y7U
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BU of 4y7u by Molmil
Structural analysis of MurU
Descriptor: 2-acetamido-3-O-[(1R)-1-carboxyethyl]-2-deoxy-1-O-phosphono-alpha-D-glucopyranose, 5'-O-[(S)-hydroxy{[(S)-hydroxy(phosphonooxy)phosphoryl]amino}phosphoryl]uridine, GLYCEROL, ...
Authors:Renner-Schneck, M.G, Stehle, T.
Deposit date:2015-02-16
Release date:2015-03-18
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Crystal Structure of the N-Acetylmuramic Acid alpha-1-Phosphate (MurNAc-alpha 1-P) Uridylyltransferase MurU, a Minimal Sugar Nucleotidyltransferase and Potential Drug Target Enzyme in Gram-negative Pathogens.
J.Biol.Chem., 290, 2015
4Y7V
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BU of 4y7v by Molmil
Structural analysis of MurU
Descriptor: 2-acetamido-3-O-[(1R)-1-carboxyethyl]-2-deoxy-1-O-phosphono-alpha-D-glucopyranose, GLYCEROL, IMIDODIPHOSPHORIC ACID, ...
Authors:Renner-Schneck, M.G, Stehle, T.
Deposit date:2015-02-16
Release date:2015-03-18
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Crystal Structure of the N-Acetylmuramic Acid alpha-1-Phosphate (MurNAc-alpha 1-P) Uridylyltransferase MurU, a Minimal Sugar Nucleotidyltransferase and Potential Drug Target Enzyme in Gram-negative Pathogens.
J.Biol.Chem., 290, 2015
6NIJ
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BU of 6nij by Molmil
PGT145 Fab in complex with full length AMC011 HIV-1 Env
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, AMC011 Glycoprotein 120, ...
Authors:Cottrell, C.A, Torrents de la Pena, A, Rantalainen, K, Torres, J.L, Ward, A.B.
Deposit date:2018-12-29
Release date:2019-07-31
Last modified:2024-11-06
Method:ELECTRON MICROSCOPY (5.7 Å)
Cite:Similarities and differences between native HIV-1 envelope glycoprotein trimers and stabilized soluble trimer mimetics.
Plos Pathog., 15, 2019
9MEC
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BU of 9mec by Molmil
Crystal Structure of Pyrophosphate-fructose 6-phosphate 1-phosphotransferase 1 (Pfk1) from Trichomonas vaginalis (AMP/alpha-D-Glucose-6-phosphate complex)
Descriptor: 6-O-phosphono-alpha-D-glucopyranose, ADENOSINE MONOPHOSPHATE, CHLORIDE ION, ...
Authors:Seattle Structural Genomics Center for Infectious Disease, Seattle Structural Genomics Center for Infectious Disease (SSGCID)
Deposit date:2024-12-06
Release date:2024-12-18
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Crystal Structure of Pyrophosphate-fructose 6-phosphate 1-phosphotransferase 1 (Pfk1) from Trichomonas vaginalis (AMP/alpha-D-Glucose-6-phosphate complex)
To be published
9M0D
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BU of 9m0d by Molmil
Cryo-EM structure of neurotensin receptor 1 in complex with beta-arrestin 1
Descriptor: Beta-arrestin-1, Fab30 heavy chain, Fab30 light chain, ...
Authors:Sun, D.M, Li, X, Yuan, Q.N, Tian, C.L.
Deposit date:2025-02-24
Release date:2025-04-09
Last modified:2025-04-16
Method:ELECTRON MICROSCOPY (3.41 Å)
Cite:Molecular mechanism of the arrestin-biased agonism of neurotensin receptor 1 by an intracellular allosteric modulator.
Cell Res., 35, 2025
6DID
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BU of 6did by Molmil
HIV Env BG505 SOSIP with polyclonal Fabs from immunized rabbit #3417 post-boost#1
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Envelope glycoprotein gp160, ...
Authors:Turner, H.L, Cottrell, C.A, Oyen, D, Wilson, I.A, Ward, A.B.
Deposit date:2018-05-23
Release date:2018-09-05
Last modified:2024-11-20
Method:ELECTRON MICROSCOPY (4.71 Å)
Cite:Electron-Microscopy-Based Epitope Mapping Defines Specificities of Polyclonal Antibodies Elicited during HIV-1 BG505 Envelope Trimer Immunization.
Immunity, 49, 2018
4EB2
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BU of 4eb2 by Molmil
Crystal structure Mistletoe Lectin I from Viscum album in complex with n-acetyl-d-glucosamine at 1.94 A resolution.
Descriptor: 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Laskov, A.A, Prokofev, I.I, Gabdoulkhakov, A.G, Betzel, C, Mikhailov, A.M.
Deposit date:2012-03-23
Release date:2013-03-27
Last modified:2024-10-30
Method:X-RAY DIFFRACTION (1.94 Å)
Cite:Crystal structure Mistletoe Lectin I from Viscum album in complex with N-acetyl-D-glucosamine at 1.94 A resolution.
To be Published
4EN2
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BU of 4en2 by Molmil
HIV-1 Nef in complex with MHC-I cytoplasmic domain and Mu1 adaptin subunit of AP1 adaptor (second domain)
Descriptor: AP-1 complex subunit mu-1, MHC-I, Protein Nef
Authors:Jia, X, Xiong, Y.
Deposit date:2012-04-12
Release date:2012-06-20
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.58 Å)
Cite:Structural basis of evasion of cellular adaptive immunity by HIV-1 Nef.
Nat.Struct.Mol.Biol., 19, 2012
9D98
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BU of 9d98 by Molmil
Cryo-EM structure of HIV-1 BG505 SOSIP.664 Env bound to 3-sCD4, 3-VRC34.01 Fab with two gp120 protomers rotated, Population 5
Descriptor: Surface protein gp120, T-cell surface glycoprotein CD4, Transmembrane protein gp41, ...
Authors:Thakur, B, Acharya, P.
Deposit date:2024-08-21
Release date:2025-04-30
Last modified:2025-10-01
Method:ELECTRON MICROSCOPY (4.19 Å)
Cite:Conformational trajectory of the HIV-1 fusion peptide during CD4-induced envelope opening.
Nat Commun, 16, 2025
1TYZ
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BU of 1tyz by Molmil
Crystal structure of 1-Aminocyclopropane-1-carboyxlate Deaminase from Pseudomonas
Descriptor: 1-aminocyclopropane-1-carboxylate deaminase, PYRIDOXAL-5'-PHOSPHATE, SULFATE ION
Authors:Karthikeyan, S, Zhou, Q, Zhao, Z, Kao, C.L, Tao, Z, Robinson, H, Liu, H.W, Zhang, H.
Deposit date:2004-07-08
Release date:2004-11-02
Last modified:2023-08-23
Method:X-RAY DIFFRACTION (2 Å)
Cite:Structural Analysis of Pseudomonas 1-Aminocyclopropane-1-carboxylate Deaminase Complexes:Insight into the mechanism of unique pyrodoxial-5'-phosphate dependent cyclopropane ring opening reaction
Biochemistry, 43, 2004
1TZK
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BU of 1tzk by Molmil
Crystal structure of 1-aminocyclopropane-1-carboxylate-deaminase complexed with alpha-keto-butyrate
Descriptor: 1-aminocyclopropane-1-carboxylate deaminase, 2-KETOBUTYRIC ACID, PYRIDOXAL-5'-PHOSPHATE, ...
Authors:Karthikeyan, S, Zhou, Q, Zhao, Z, Kao, C.L, Tao, Z, Robinson, H, Liu, H.W, Zhang, H.
Deposit date:2004-07-10
Release date:2004-11-02
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (2 Å)
Cite:Structural Analysis of Pseudomonas 1-Aminocyclopropane-1-carboxylate Deaminase Complexes: Insight into the Mechanism of a Unique Pyridoxal-5'-phosphate Dependent Cyclopropane Ring-Opening Reaction
Biochemistry, 43, 2004

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數據於2025-10-08公開中

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